| 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 | 35.4 | Very low | 38.9 | Very low | 257 Ų | 257 | 143.5 Ų | 143.5 | 100% | 1.266 | 75% | 0.754 | S | S | * | * | 0 | 88.4 | 0 | -72.7 | 176.1 | -178.6 | 0 | 0 | 107 | |||||
| 2 | G | 38.5 | Very low | 39.3 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -157.6 | 111.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | Q | 29.4 | Very low | 40.4 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | trans | -154.5 | 110.7 | 142.2 | -112.3 | 161.7 | 5.8 | 0 | 0 | 107.9 | ||||
| 4 | R | 32.2 | Very low | 41.4 | Very low | 223 Ų | 223 | 141.6 Ų | 141.6 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | trans | -65.4 | 117.9 | 174.2 | -167.8 | 162.7 | 176.7 | 152.1 | -5 | 105.8 | S6 | R4-S6 PolarHBondContact O-N 2.87Š| ||
| 5 | L | 33.3 | Very low | 42.5 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 96% | 0.963 | 69% | 0.69 | S | S | * | * | trans | -67.6 | 90.7 | 168.5 | -76.1 | 158.4 | 0 | 0 | 0 | 107 | ||||
| 6 | S | 42.6 | Very low | 43.8 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | trans | -142.9 | 63.8 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 108.9 | R4 | R4-S6 PolarHBondContact O-N 2.87Š| ||
| 7 | E | 38.5 | Very low | 44.7 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | trans | -152.3 | 121.5 | 170.9 | -65.4 | -179.6 | 108.3 | 0 | 0 | 102.6 | ||||
| 8 | D | 37.2 | Very low | 45.9 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 48% | 0.481 | 66% | 0.664 | S | S | . | * | cis | -158.8 | 114.5 | 25.9 | -107.3 | -93.1 | 0 | 0 | 0 | 104.8 | K13 | D8-K13 WeakPolarHBondContact OD1-CD 3.3Å; D8-K13 IonicContact OD1-NZ 2.86Å; D8-K13 PolarHBondContact OD1-NZ 3.06Å; D8-K13 IonicContact OD2-NZ 2.79Å; D8-K13 PolarHBondContact OD2-NZ 2.78Å | ||
| 9 | N | 44.9 | Very low | 46.9 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | trans | -116.9 | 55.4 | 161.6 | -113.3 | -33.1 | 0 | 0 | 0 | 106.2 | P11 | N9-P11 WeakPolarHBondContact O-CD 3.42Š| ||
| 10 | D | 46.9 | Very low | 47.8 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 41% | 0.406 | 62% | 0.623 | S | S | . | * | trans | -80.2 | 114.6 | 174.5 | -167.3 | -74.4 | 0 | 0 | 0 | 108 | D12 K13 | D10-D12 PolarHBondContact O-N 3.49Å; D10-D12 VanDerWaalsContact O-N 3.14Å; D10-D12 WeakPolarHBondContact OD1-CA 3.47Å; D10-D12 VanDerWaalsContact OD1-CB 3.29Å; D10-D12 WeakPolarHBondContact OD1-CB 3.25Å; D10-D12 PolarHBondContact OD1-N 2.77Å; D10-K13 HydrophobicContact CB-CB 4.32Å; D10-K13 PolarHBondContact O-N 2.68Å; D10-K13 PolarHBondContact OD1-N 3.01Å | ||
| 11 | P | 48.6 | Very low | 48.5 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 50% | 0.5 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71 | -1.9 | -177.3 | 30.4 | -35.1 | 0 | 0 | 0 | 113.5 | N9 | N9-P11 WeakPolarHBondContact O-CD 3.42Š|
| 12 | D | 44.3 | Very low | 49.9 | Very low | 110 Ų | 110 | 111.9 Ų | 111.9 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -8 | 177.9 | -127.8 | -101.7 | 0 | 0 | 0 | 112.5 | D10 E14 K88 | D10-D12 PolarHBondContact O-N 3.49Å; D10-D12 VanDerWaalsContact O-N 3.14Å; D10-D12 WeakPolarHBondContact OD1-CA 3.47Å; D10-D12 VanDerWaalsContact OD1-CB 3.29Å; D10-D12 WeakPolarHBondContact OD1-CB 3.25Å; D10-D12 PolarHBondContact OD1-N 2.77Å; D12-E14 PolarHBondContact O-N 2.74Å; D12-K88 WeakPolarHBondContact OD2-CE 3.26Å; D12-K88 IonicContact OD2-NZ 3.74Å; D12-K88 PolarHBondContact OD2-NZ 2.79Å |
| 13 | K | 53.3 | Low | 51.2 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -75.4 | 108.5 | 173.8 | -110 | 179 | -179.7 | 168.7 | 0 | 111 | D8 D10 R86 | D8-K13 WeakPolarHBondContact OD1-CD 3.3Å; D8-K13 IonicContact OD1-NZ 2.86Å; D8-K13 PolarHBondContact OD1-NZ 3.06Å; D8-K13 IonicContact OD2-NZ 2.79Å; D8-K13 PolarHBondContact OD2-NZ 2.78Å; D10-K13 HydrophobicContact CB-CB 4.32Å; D10-K13 PolarHBondContact O-N 2.68Å; D10-K13 PolarHBondContact OD1-N 3.01Å; K13-R86 PolarHBondContact O-NH1 3.33Å |
| 14 | E | 54.1 | Low | 52.9 | Low | 182 Ų | 182 | 107 Ų | 107 | 85% | 0.85 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -48.6 | 142.4 | 168 | -65 | -173.5 | 143.8 | 0 | 0 | 110.6 | D12 D16 R86 | D12-E14 PolarHBondContact O-N 2.74Å; E14-D16 PolarHBondContact O-N 2.87Å; E14-R86 PolarHBondContact O-NH1 2.76Å |
| 15 | I | 59.1 | Low | 54.7 | Low | 25 Ų | 25 | 103.6 Ų | 103.6 | 13% | 0.128 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -63 | 121.9 | 175 | -64.4 | -167.1 | 0 | 0 | 0 | 108.3 | V17 E19 L20 W23 N82 | I15-V17 PolarHBondContact O-N 3.45Å; I15-E19 HydrophobicContact CG2-CB 4.3Å; I15-L20 HydrophobicContact CG2-CB 4.17Å; I15-W23 HydrophobicContact CD1-CH2 3.79Å; I15-W23 HydrophobicContact CD1-CZ3 3.52Å; I15-W23 HydrophobicContact CG2-CH2 4.49Å; I15-W23 HydrophobicContact CG2-CZ3 4.16Å; I15-N82 HydrophobicContact CD1-CB 4.25Å; I15-N82 WeakPolarHBondContact CD1-OD1 3.44Å; I15-N82 WeakPolarHBondContact CG1-OD1 3.34Å |
| 16 | D | 61.8 | Low | 56.3 | Low | 99 Ų | 99 | 100 Ų | 100 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 136.1 | 177.3 | -165.6 | -51.3 | 0 | 0 | 0 | 108.7 | E14 A18 E19 L20 | E14-D16 PolarHBondContact O-N 2.87Å; D16-A18 PolarHBondContact O-N 2.97Å; D16-A18 WeakPolarHBondContact OD1-CB 3.47Å; D16-A18 PolarHBondContact OD1-N 3.35Å; D16-E19 PolarHBondContact O-N 3.15Å; D16-L20 PolarHBondContact O-N 2.79Å |
| 17 | V | 60.2 | Low | 57.4 | Low | 96 Ų | 96 | 96.1 Ų | 96.1 | 58% | 0.582 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -53.1 | -30.8 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | I15 Q21 | I15-V17 PolarHBondContact O-N 3.45Å; V17-Q21 WeakPolarHBondContact O-CB 3.02Å; V17-Q21 WeakPolarHBondContact O-CG 3.29Å; V17-Q21 PolarHBondContact O-N 3.22Å |
| 18 | A | 66.1 | Low | 58.8 | Low | 60 Ų | 60 | 90.2 Ų | 90.2 | 50% | 0.496 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | D16 L20 Q21 E22 | D16-A18 PolarHBondContact O-N 2.97Å; D16-A18 WeakPolarHBondContact OD1-CB 3.47Å; D16-A18 PolarHBondContact OD1-N 3.35Å; A18-L20 VanDerWaalsContact C-N 3.34Å; A18-Q21 PolarHBondContact O-N 2.87Å; A18-E22 PolarHBondContact O-N 2.81Å |
| 19 | E | 64.8 | Low | 60.3 | Low | 56 Ų | 56 | 91.3 Ų | 91.3 | 26% | 0.262 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.4 | -76.6 | -175.9 | 122.5 | 0 | 0 | 110.9 | I15 D16 Q21 E22 W23 R86 | I15-E19 HydrophobicContact CG2-CB 4.3Å; D16-E19 PolarHBondContact O-N 3.15Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.45Å; E19-E22 PolarHBondContact O-N 3.01Å; E19-W23 PolarHBondContact O-N 3.01Å; E19-R86 IonicContact OE1-NH2 2.71Å; E19-R86 PolarHBondContact OE1-NH2 3.09Å; E19-R86 IonicContact OE2-CZ 2.76Å; E19-R86 IonicContact OE2-NH1 3.02Å; E19-R86 IonicContact OE2-NH2 3.45Å; E19-R86 PolarHBondContact OE2-NH2 3.15Å |
| 20 | L | 64 | Low | 61.2 | Low | 47 Ų | 47 | 90.2 Ų | 90.2 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 176.8 | -171.8 | 67.5 | 0 | 0 | 0 | 112.3 | I15 D16 A18 E22 W23 Y24 F74 V78 | I15-L20 HydrophobicContact CG2-CB 4.17Å; D16-L20 PolarHBondContact O-N 2.79Å; A18-L20 VanDerWaalsContact C-N 3.34Å; L20-E22 VanDerWaalsContact C-N 3.34Å; L20-W23 PolarHBondContact O-N 2.89Å; L20-Y24 WeakPolarHBondContact O-CB 3.38Å; L20-Y24 PolarHBondContact O-N 3.14Å; L20-F74 HydrophobicContact CD1-CZ 4.42Å; L20-F74 HydrophobicContact CG-CZ 4.48Å; L20-V78 HydrophobicContact CD1-CB 4.16Å; L20-V78 HydrophobicContact CD1-CG1 3.48Å; L20-V78 VanDerWaalsContact CD1-CG1 3.48Å; L20-V78 HydrophobicContact CD1-CG2 3.52Å |
| 21 | Q | 62.8 | Low | 62 | Low | 122 Ų | 122 | 86.8 Ų | 86.8 | 57% | 0.57 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.7 | -35.2 | 176.2 | -82.1 | -176.3 | -6.7 | 0 | 0 | 112.8 | V17 A18 E19 Y24 K25 | V17-Q21 WeakPolarHBondContact O-CB 3.02Å; V17-Q21 WeakPolarHBondContact O-CG 3.29Å; V17-Q21 PolarHBondContact O-N 3.22Å; A18-Q21 PolarHBondContact O-N 2.87Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.45Å; Q21-Y24 PolarHBondContact O-N 3.48Å; Q21-K25 PolarHBondContact O-N 2.75Å |
| 22 | E | 66.4 | Low | 62.8 | Low | 118 Ų | 118 | 88.6 Ų | 88.6 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.9 | -38.6 | 177.9 | -166.2 | 166.3 | -179.1 | 0 | 0 | 111.6 | A18 E19 L20 K25 K26 | A18-E22 PolarHBondContact O-N 2.81Å; E19-E22 PolarHBondContact O-N 3.01Å; L20-E22 VanDerWaalsContact C-N 3.34Å; E22-K25 PolarHBondContact O-N 2.71Å; E22-K26 PolarHBondContact O-N 2.9Å |
| 23 | W | 65.4 | Low | 63.9 | Low | 49 Ų | 49 | 86.4 Ų | 86.4 | 19% | 0.186 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 171.2 | -63.8 | -14.4 | 0 | 0 | 0 | 112.3 | I15 E19 L20 K25 K26 F27 L81 L85 | I15-W23 HydrophobicContact CD1-CH2 3.79Å; I15-W23 HydrophobicContact CD1-CZ3 3.52Å; I15-W23 HydrophobicContact CG2-CH2 4.49Å; I15-W23 HydrophobicContact CG2-CZ3 4.16Å; E19-W23 PolarHBondContact O-N 3.01Å; L20-W23 PolarHBondContact O-N 2.89Å; W23-K25 VanDerWaalsContact C-N 3.33Å; W23-K25 PolarHBondContact O-N 3.31Å; W23-K26 PolarHBondContact O-N 3.03Å; W23-F27 VanDerWaalsContact O-CB 3.25Å; W23-F27 WeakPolarHBondContact O-CB 3.46Å; W23-F27 PolarHBondContact O-N 2.95Å; W23-L81 HydrophobicContact CB-CD1 4.48Å; W23-L81 HydrophobicContact CD2-CD1 3.91Å; W23-L81 HydrophobicContact CE3-CB 4.33Å; W23-L81 HydrophobicContact CE3-CD1 3.51Å; W23-L81 HydrophobicContact CG-CD1 4.34Å; W23-L81 HydrophobicContact CZ3-CB 3.97Å; W23-L81 HydrophobicContact CZ3-CD1 3.97Å; W23-L85 HydrophobicContact CH2-CD1 3.35Å; W23-L85 HydrophobicContact CZ2-CD1 3.65Å; W23-L85 HydrophobicContact CZ3-CD1 4.14Å |
| 24 | Y | 64.9 | Low | 64.6 | Low | 115 Ų | 115 | 82.7 Ų | 82.7 | 45% | 0.451 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 174.2 | -179.5 | -116.1 | 0 | 0 | 0 | 111.7 | L20 Q21 K26 F27 V28 F74 | L20-Y24 WeakPolarHBondContact O-CB 3.38Å; L20-Y24 PolarHBondContact O-N 3.14Å; Q21-Y24 PolarHBondContact O-N 3.48Å; Y24-K26 PolarHBondContact O-N 3.03Å; Y24-F27 PolarHBondContact O-N 3.34Å; Y24-V28 HydrophobicContact CD1-CG2 4.43Å; Y24-V28 HydrophobicContact CD2-CG2 3.89Å; Y24-V28 HydrophobicContact CE1-CG2 4.09Å; Y24-V28 HydrophobicContact CE2-CG2 3.54Å; Y24-V28 HydrophobicContact CG-CG2 4.37Å; Y24-V28 WeakPolarHBondContact O-CB 3.13Å; Y24-V28 VanDerWaalsContact O-CG2 3.3Å; Y24-V28 WeakPolarHBondContact O-CG2 3.18Å; Y24-V28 PolarHBondContact O-N 2.77Å; Y24-F74 HydrophobicContact CD2-CD1 4.01Å; Y24-F74 AromaticContact CD2-CD2 3.49Å; Y24-F74 HydrophobicContact CD2-CD2 3.49Å; Y24-F74 VanDerWaalsContact CD2-CD2 3.49Å; Y24-F74 AromaticContact CD2-CE1 3.83Å; Y24-F74 HydrophobicContact CD2-CE1 3.83Å; Y24-F74 AromaticContact CD2-CE2 3.3Å; Y24-F74 HydrophobicContact CD2-CE2 3.3Å; Y24-F74 AromaticContact CD2-CG 3.84Å; Y24-F74 HydrophobicContact CD2-CG 3.84Å; Y24-F74 AromaticContact CD2-CZ 3.47Å; Y24-F74 HydrophobicContact CD2-CZ 3.47Å; Y24-F74 VanDerWaalsContact CD2-CZ 3.47Å; Y24-F74 HydrophobicContact CE2-CD1 4.13Å; Y24-F74 HydrophobicContact CE2-CD2 4.1Å; Y24-F74 HydrophobicContact CE2-CE1 4.29Å; Y24-F74 HydrophobicContact CE2-CE2 4.28Å; Y24-F74 HydrophobicContact CE2-CG 4.02Å; Y24-F74 HydrophobicContact CE2-CZ 4.35Å; Y24-F74 HydrophobicContact CG-CE1 4.47Å; Y24-F74 AromaticContact CG-CE2 3.94Å; Y24-F74 HydrophobicContact CG-CE2 3.94Å; Y24-F74 AromaticContact CG-CZ 3.89Å; Y24-F74 HydrophobicContact CG-CZ 3.89Å |
| 25 | K | 68.6 | Low | 65.6 | Low | 152 Ų | 152 | 75.9 Ų | 75.9 | 66% | 0.661 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 175.9 | -86.3 | -178.2 | 177.8 | 175.3 | 0 | 112 | Q21 E22 W23 V28 V29 | Q21-K25 PolarHBondContact O-N 2.75Å; E22-K25 PolarHBondContact O-N 2.71Å; W23-K25 VanDerWaalsContact C-N 3.33Å; W23-K25 PolarHBondContact O-N 3.31Å; K25-V28 PolarHBondContact O-N 3.4Å; K25-V29 WeakPolarHBondContact O-CB 3.45Å; K25-V29 WeakPolarHBondContact O-CG2 3.35Å; K25-V29 PolarHBondContact O-N 3.01Å |
| 26 | K | 67.2 | Low | 66.4 | Low | 108 Ų | 108 | 74.9 Ų | 74.9 | 47% | 0.47 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.5 | -42.7 | 177.3 | -75.5 | -179.3 | 179.6 | 175.5 | 0 | 111.9 | E22 W23 Y24 V29 E30 | E22-K26 PolarHBondContact O-N 2.9Å; W23-K26 PolarHBondContact O-N 3.03Å; Y24-K26 PolarHBondContact O-N 3.03Å; K26-V29 PolarHBondContact O-N 2.86Å; K26-E30 WeakPolarHBondContact O-CB 3.22Å; K26-E30 WeakPolarHBondContact O-CG 3.19Å; K26-E30 PolarHBondContact O-N 3.07Å |
| 27 | F | 65.9 | Low | 67.2 | Low | 5 Ų | 5 | 74 Ų | 74 | 2% | 0.022 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 176.9 | -177.8 | -88.4 | 0 | 0 | 0 | 111.6 | W23 Y24 V29 E30 C31 L36 F74 Y77 | W23-F27 VanDerWaalsContact O-CB 3.25Å; W23-F27 WeakPolarHBondContact O-CB 3.46Å; W23-F27 PolarHBondContact O-N 2.95Å; Y24-F27 PolarHBondContact O-N 3.34Å; F27-V29 VanDerWaalsContact C-N 3.33Å; F27-V29 PolarHBondContact O-N 3.4Å; F27-E30 PolarHBondContact O-N 3.41Å; F27-C31 WeakPolarHBondContact O-CA 3.29Å; F27-C31 VanDerWaalsContact O-CB 3.29Å; F27-C31 WeakPolarHBondContact O-CB 3.05Å; F27-C31 PolarHBondContact O-N 3.32Å; F27-L36 HydrophobicContact CD2-CD1 3.68Å; F27-L36 HydrophobicContact CE2-CB 3.89Å; F27-L36 HydrophobicContact CE2-CD1 3.27Å; F27-L36 HydrophobicContact CE2-CG 4.12Å; F27-L36 HydrophobicContact CZ-CB 4.03Å; F27-L36 HydrophobicContact CZ-CD1 4.15Å; F27-F74 HydrophobicContact CD1-CD2 4.37Å; F27-F74 HydrophobicContact CE1-CB 4.42Å; F27-Y77 HydrophobicContact CB-CE1 4.24Å; F27-Y77 AromaticContact CD2-CD1 3.48Å; F27-Y77 HydrophobicContact CD2-CD1 3.48Å; F27-Y77 VanDerWaalsContact CD2-CD1 3.48Å; F27-Y77 AromaticContact CD2-CD2 3.95Å; F27-Y77 HydrophobicContact CD2-CD2 3.95Å; F27-Y77 AromaticContact CD2-CE1 3.6Å; F27-Y77 HydrophobicContact CD2-CE1 3.6Å; F27-Y77 HydrophobicContact CD2-CE2 4.08Å; F27-Y77 AromaticContact CD2-CG 3.65Å; F27-Y77 HydrophobicContact CD2-CG 3.65Å; F27-Y77 AromaticContact CD2-CZ 3.9Å; F27-Y77 AromaticContact CE2-CD1 3.84Å; F27-Y77 HydrophobicContact CE2-CD1 3.84Å; F27-Y77 AromaticContact CE2-CD2 3.82Å; F27-Y77 HydrophobicContact CE2-CD2 3.82Å; F27-Y77 HydrophobicContact CE2-CE1 4.36Å; F27-Y77 HydrophobicContact CE2-CE2 4.35Å; F27-Y77 AromaticContact CE2-CG 3.54Å; F27-Y77 HydrophobicContact CE2-CG 3.54Å; F27-Y77 HydrophobicContact CG-CD1 4.22Å; F27-Y77 HydrophobicContact CG-CE1 4.28Å |
| 28 | V | 68.9 | Low | 67.8 | Low | 57 Ų | 57 | 71.1 Ų | 71.1 | 35% | 0.345 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70.4 | -29.4 | 179.3 | 174.5 | 0 | 0 | 0 | 0 | 112.5 | Y24 K25 C31 | Y24-V28 HydrophobicContact CD1-CG2 4.43Å; Y24-V28 HydrophobicContact CD2-CG2 3.89Å; Y24-V28 HydrophobicContact CE1-CG2 4.09Å; Y24-V28 HydrophobicContact CE2-CG2 3.54Å; Y24-V28 HydrophobicContact CG-CG2 4.37Å; Y24-V28 WeakPolarHBondContact O-CB 3.13Å; Y24-V28 VanDerWaalsContact O-CG2 3.3Å; Y24-V28 WeakPolarHBondContact O-CG2 3.18Å; Y24-V28 PolarHBondContact O-N 2.77Å; K25-V28 PolarHBondContact O-N 3.4Å; V28-C31 CarbonylContact O-C 3.34Å |
| 29 | V | 68.3 | Low | 68 | Low | 113 Ų | 113 | 74.4 Ų | 74.4 | 69% | 0.685 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -72.3 | -41.6 | 176 | 167.3 | 0 | 0 | 0 | 0 | 111.5 | K25 K26 F27 | K25-V29 WeakPolarHBondContact O-CB 3.45Å; K25-V29 WeakPolarHBondContact O-CG2 3.35Å; K25-V29 PolarHBondContact O-N 3.01Å; K26-V29 PolarHBondContact O-N 2.86Å; F27-V29 VanDerWaalsContact C-N 3.33Å; F27-V29 PolarHBondContact O-N 3.4Å |
| 30 | E | 63.5 | Low | 68.4 | Low | 115 Ų | 115 | 74 Ų | 74 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -78 | -32.4 | 177.7 | -65.8 | -80.1 | 118 | 0 | 0 | 111.7 | K26 F27 P32 | K26-E30 WeakPolarHBondContact O-CB 3.22Å; K26-E30 WeakPolarHBondContact O-CG 3.19Å; K26-E30 PolarHBondContact O-N 3.07Å; F27-E30 PolarHBondContact O-N 3.41Å; E30-P32 WeakPolarHBondContact O-CD 3.23Å |
| 31 | C | 63.8 | Low | 68.8 | Low | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.034 | 37% | 0.366 | C | S | . | . | trans | -124.3 | 83.2 | -178.4 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | F27 V28 S33 G34 | F27-C31 WeakPolarHBondContact O-CA 3.29Å; F27-C31 VanDerWaalsContact O-CB 3.29Å; F27-C31 WeakPolarHBondContact O-CB 3.05Å; F27-C31 PolarHBondContact O-N 3.32Å; V28-C31 CarbonylContact O-C 3.34Å; C31-S33 PolarHBondContact O-N 2.89Å; C31-S33 VanDerWaalsContact O-N 3.12Å; C31-G34 PolarHBondContact O-N 3.08Å | ||
| 32 | P | 64.9 | Low | 68.9 | Low | 115 Ų | 115 | 68.3 Ų | 68.3 | 75% | 0.747 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.3 | -179.8 | 25.5 | -33.2 | 0 | 0 | 0 | 113.7 | E30 G34 | E30-P32 WeakPolarHBondContact O-CD 3.23Å; P32-G34 VanDerWaalsContact C-N 3.29Å |
| 33 | S | 67.4 | Low | 68.9 | Low | 64 Ų | 64 | 66.1 Ų | 66.1 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23.2 | 170.3 | 45.8 | 0 | 0 | 0 | 0 | 113.4 | C31 T35 | C31-S33 PolarHBondContact O-N 2.89Å; C31-S33 VanDerWaalsContact O-N 3.12Å; S33-T35 PolarHBondContact O-N 3.15Å; S33-T35 PolarHBondContact OG-O 3.22Å |
| 34 | G | 67.9 | Low | 68.8 | Low | 34 Ų | 34 | 66 Ų | 66 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 75.7 | 4.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C31 P32 | C31-G34 PolarHBondContact O-N 3.08Å; P32-G34 VanDerWaalsContact C-N 3.29Å |
| 35 | T | 76 | Confident | 68.4 | Low | 39 Ų | 39 | 62.1 Ų | 62.1 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -134.9 | 136 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 109 | S33 F37 | S33-T35 PolarHBondContact O-N 3.15Å; S33-T35 PolarHBondContact OG-O 3.22Å; T35-F37 WeakPolarHBondContact OG1-CE2 3.46Å |
| 36 | L | 74.9 | Confident | 67.9 | Low | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 113.8 | -178.8 | -138.6 | 145.8 | 0 | 0 | 0 | 109.7 | F27 E40 F41 F61 I72 Y77 | F27-L36 HydrophobicContact CD2-CD1 3.68Å; F27-L36 HydrophobicContact CE2-CB 3.89Å; F27-L36 HydrophobicContact CE2-CD1 3.27Å; F27-L36 HydrophobicContact CE2-CG 4.12Å; F27-L36 HydrophobicContact CZ-CB 4.03Å; F27-L36 HydrophobicContact CZ-CD1 4.15Å; L36-E40 HydrophobicContact CD2-CB 3.84Å; L36-E40 HydrophobicContact CG-CB 4.38Å; L36-F41 HydrophobicContact CD2-CB 3.51Å; L36-F41 HydrophobicContact CD2-CD2 3.86Å; L36-F41 HydrophobicContact CD2-CG 4.16Å; L36-F61 WeakPolarHBondContact O-CE2 3.24Å; L36-I72 HydrophobicContact CB-CB 4.23Å; L36-I72 PolarHBondContact N-O 3.47Å; L36-I72 PolarHBondContact O-N 3.32Å; L36-Y77 HydrophobicContact CD1-CD2 4.44Å; L36-Y77 HydrophobicContact CD1-CE2 4.43Å |
| 37 | F | 78.2 | Confident | 67.5 | Low | 81 Ų | 81 | 52.7 Ų | 52.7 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 156.4 | 178.6 | -69.1 | -85.2 | 0 | 0 | 0 | 111.4 | T35 H39 E40 F41 T71 | T35-F37 WeakPolarHBondContact OG1-CE2 3.46Å; F37-H39 WeakPolarHBondContact CB-CE1 3.32Å; F37-H39 VanDerWaalsContact CB-ND1 3.34Å; F37-H39 WeakPolarHBondContact CB-ND1 3.42Å; F37-H39 AromaticContact CG-CE1 3.86Å; F37-H39 PolarHBondContact O-N 3.47Å; F37-H39 VanDerWaalsContact O-N 3.08Å; F37-E40 HydrophobicContact CB-CG 4.39Å; F37-E40 WeakPolarHBondContact CD2-OE2 3.31Å; F37-E40 PolarHBondContact N-OE2 3.42Å; F37-E40 CarbonylContact O-C 3.53Å; F37-E40 WeakPolarHBondContact O-CA 3.43Å; F37-E40 WeakPolarHBondContact O-CB 3.21Å; F37-E40 PolarHBondContact O-N 2.89Å; F37-F41 PolarHBondContact O-N 3.37Å; F37-T71 HydrophobicContact CD1-CG2 3.66Å; F37-T71 HydrophobicContact CE1-CG2 3.41Å; F37-T71 VanDerWaalsContact CE1-CG2 3.41Å; F37-T71 HydrophobicContact CG-CG2 4.5Å; F37-T71 HydrophobicContact CZ-CG2 4.08Å |
| 38 | M | 72.9 | Confident | 66.7 | Low | 36 Ų | 36 | 57.4 Ų | 57.4 | 18% | 0.177 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -47.5 | -42.4 | 178.3 | 179.9 | 67.4 | 74.8 | 0 | 0 | 114 | F41 K42 E58 F61 | M38-F41 PolarHBondContact O-N 2.84Å; M38-K42 HydrophobicContact CG-CD 4.38Å; M38-K42 WeakPolarHBondContact O-CG 3.35Å; M38-K42 PolarHBondContact O-N 3.36Å; M38-E58 HydrophobicContact CE-CB 4.17Å; M38-E58 HydrophobicContact CE-CG 3.7Å; M38-E58 HydrophobicContact SD-CB 4.13Å; M38-E58 HydrophobicContact SD-CG 4.25Å; M38-F61 HydrophobicContact CB-CE1 4.4Å; M38-F61 HydrophobicContact CB-CE2 4.32Å; M38-F61 HydrophobicContact CB-CZ 4.24Å; M38-F61 HydrophobicContact CE-CB 3.55Å; M38-F61 HydrophobicContact CE-CD1 3.23Å; M38-F61 HydrophobicContact CE-CD2 4.32Å; M38-F61 HydrophobicContact CE-CE1 3.97Å; M38-F61 HydrophobicContact CE-CG 3.43Å; M38-F61 VanDerWaalsContact CE-CG 3.43Å; M38-F61 HydrophobicContact SD-CB 3.63Å; M38-F61 HydrophobicContact SD-CD1 4.05Å; M38-F61 HydrophobicContact SD-CD2 4.05Å; M38-F61 HydrophobicContact SD-CG 3.64Å |
| 39 | H | 71.6 | Confident | 66 | Low | 129 Ų | 129 | 62.3 Ų | 62.3 | 60% | 0.597 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.9 | -36.2 | -179.5 | 67.7 | -82.4 | 0 | 0 | 0 | 112.4 | F37 S43 | F37-H39 WeakPolarHBondContact CB-CE1 3.32Å; F37-H39 VanDerWaalsContact CB-ND1 3.34Å; F37-H39 WeakPolarHBondContact CB-ND1 3.42Å; F37-H39 AromaticContact CG-CE1 3.86Å; F37-H39 PolarHBondContact O-N 3.47Å; F37-H39 VanDerWaalsContact O-N 3.08Å; H39-S43 WeakPolarHBondContact O-CB 3.43Å; H39-S43 PolarHBondContact O-N 3.42Å; H39-S43 VanDerWaalsContact O-N 3.07Å |
| 40 | E | 72.9 | Confident | 65.6 | Low | 46 Ų | 46 | 59.9 Ų | 59.9 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.7 | -38.7 | 173.2 | -60.9 | 178.2 | 122.8 | 0 | 0 | 110.4 | L36 F37 S43 F44 | L36-E40 HydrophobicContact CD2-CB 3.84Å; L36-E40 HydrophobicContact CG-CB 4.38Å; F37-E40 HydrophobicContact CB-CG 4.39Å; F37-E40 WeakPolarHBondContact CD2-OE2 3.31Å; F37-E40 PolarHBondContact N-OE2 3.42Å; F37-E40 CarbonylContact O-C 3.53Å; F37-E40 WeakPolarHBondContact O-CA 3.43Å; F37-E40 WeakPolarHBondContact O-CB 3.21Å; F37-E40 PolarHBondContact O-N 2.89Å; E40-S43 CarbonylContact O-C 3.55Å; E40-S43 WeakPolarHBondContact O-CB 3.4Å; E40-S43 PolarHBondContact O-N 3.17Å; E40-F44 VanDerWaalsContact O-CB 3.24Å; E40-F44 WeakPolarHBondContact O-CB 3.22Å; E40-F44 PolarHBondContact O-N 2.93Å |
| 41 | F | 71.7 | Confident | 65.3 | Low | 5 Ų | 5 | 63 Ų | 63 | 2% | 0.022 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64 | -47.4 | 176.3 | -164.4 | -96.5 | 0 | 0 | 0 | 109.9 | L36 F37 M38 S43 F44 F45 I57 F61 F64 I72 | L36-F41 HydrophobicContact CD2-CB 3.51Å; L36-F41 HydrophobicContact CD2-CD2 3.86Å; L36-F41 HydrophobicContact CD2-CG 4.16Å; F37-F41 PolarHBondContact O-N 3.37Å; M38-F41 PolarHBondContact O-N 2.84Å; F41-S43 VanDerWaalsContact C-N 3.31Å; F41-S43 PolarHBondContact O-N 3.24Å; F41-F44 WeakPolarHBondContact O-CB 3.2Å; F41-F44 PolarHBondContact O-N 3.36Å; F41-F45 AromaticContact CD1-CD2 3.8Å; F41-F45 HydrophobicContact CD1-CD2 3.8Å; F41-F45 AromaticContact CD1-CE2 3.83Å; F41-F45 HydrophobicContact CD1-CE2 3.83Å; F41-F45 HydrophobicContact CD2-CD2 4.42Å; F41-F45 AromaticContact CD2-CE2 3.86Å; F41-F45 HydrophobicContact CD2-CE2 3.86Å; F41-F45 AromaticContact CE1-CD2 3.71Å; F41-F45 HydrophobicContact CE1-CD2 3.71Å; F41-F45 AromaticContact CE1-CE2 3.41Å; F41-F45 HydrophobicContact CE1-CE2 3.41Å; F41-F45 VanDerWaalsContact CE1-CE2 3.41Å; F41-F45 HydrophobicContact CE1-CZ 4.23Å; F41-F45 HydrophobicContact CE2-CD2 4.35Å; F41-F45 AromaticContact CE2-CE2 3.45Å; F41-F45 HydrophobicContact CE2-CE2 3.45Å; F41-F45 VanDerWaalsContact CE2-CE2 3.45Å; F41-F45 HydrophobicContact CE2-CZ 4.19Å; F41-F45 HydrophobicContact CG-CD2 4.14Å; F41-F45 HydrophobicContact CG-CE2 4.02Å; F41-F45 AromaticContact CZ-CD2 3.99Å; F41-F45 HydrophobicContact CZ-CD2 3.99Å; F41-F45 AromaticContact CZ-CE2 3.19Å; F41-F45 HydrophobicContact CZ-CE2 3.19Å; F41-F45 AromaticContact CZ-CZ 3.78Å; F41-F45 HydrophobicContact CZ-CZ 3.78Å; F41-F45 VanDerWaalsContact O-CD2 3.26Å; F41-F45 WeakPolarHBondContact O-CD2 3.35Å; F41-F45 PolarHBondContact O-N 3.28Å; F41-I57 HydrophobicContact CD1-CG2 3.5Å; F41-I57 HydrophobicContact CE1-CG2 3.88Å; F41-F61 HydrophobicContact CB-CD2 3.62Å; F41-F61 HydrophobicContact CB-CE2 3.93Å; F41-F61 HydrophobicContact CD1-CB 4.13Å; F41-F61 AromaticContact CD1-CD2 3.83Å; F41-F61 HydrophobicContact CD1-CD2 3.83Å; F41-F61 HydrophobicContact CD1-CG 4.5Å; F41-F61 AromaticContact CD2-CD2 3.99Å; F41-F61 HydrophobicContact CD2-CD2 3.99Å; F41-F61 HydrophobicContact CD2-CE2 4.48Å; F41-F61 HydrophobicContact CE1-CB 4.23Å; F41-F61 HydrophobicContact CE1-CD2 4.46Å; F41-F61 AromaticContact CG-CD2 3.59Å; F41-F61 HydrophobicContact CG-CD2 3.59Å; F41-F61 HydrophobicContact CG-CE2 4.25Å; F41-F64 HydrophobicContact CE2-CD2 4.18Å; F41-F64 AromaticContact CZ-CD2 3.71Å; F41-F64 HydrophobicContact CZ-CD2 3.71Å; F41-F64 AromaticContact CZ-CE2 3.92Å; F41-F64 HydrophobicContact CZ-CE2 3.92Å; F41-I72 HydrophobicContact CD2-CD1 3.69Å; F41-I72 HydrophobicContact CE2-CD1 3.59Å; F41-I72 HydrophobicContact CG-CD1 4.46Å; F41-I72 HydrophobicContact CZ-CD1 4.28Å |
| 42 | K | 66.4 | Low | 65 | Low | 45 Ų | 45 | 66.4 Ų | 66.4 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.2 | -42.8 | 173.2 | -74.2 | 178.5 | -177.2 | -177.4 | 0 | 112.4 | M38 F45 G46 V47 A54 I57 E58 | M38-K42 HydrophobicContact CG-CD 4.38Å; M38-K42 WeakPolarHBondContact O-CG 3.35Å; M38-K42 PolarHBondContact O-N 3.36Å; K42-F45 PolarHBondContact O-N 2.87Å; K42-G46 PolarHBondContact O-N 3.44Å; K42-V47 PolarHBondContact O-N 3.01Å; K42-A54 WeakPolarHBondContact CE-O 3.46Å; K42-I57 HydrophobicContact CB-CG2 4.42Å; K42-I57 HydrophobicContact CG-CB 4.33Å; K42-I57 HydrophobicContact CG-CG2 3.57Å; K42-E58 IonicContact NZ-OE2 3.4Å; K42-E58 PolarHBondContact NZ-OE2 3.48Å |
| 43 | S | 64.9 | Low | 64.5 | Low | 72 Ų | 72 | 61.5 Ų | 61.5 | 50% | 0.503 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 174.9 | -169.7 | 0 | 0 | 0 | 0 | 112.8 | H39 E40 F41 F45 G46 | H39-S43 WeakPolarHBondContact O-CB 3.43Å; H39-S43 PolarHBondContact O-N 3.42Å; H39-S43 VanDerWaalsContact O-N 3.07Å; E40-S43 CarbonylContact O-C 3.55Å; E40-S43 WeakPolarHBondContact O-CB 3.4Å; E40-S43 PolarHBondContact O-N 3.17Å; F41-S43 VanDerWaalsContact C-N 3.31Å; F41-S43 PolarHBondContact O-N 3.24Å; S43-F45 VanDerWaalsContact C-N 3.31Å; S43-F45 PolarHBondContact O-N 2.86Å; S43-G46 PolarHBondContact O-N 3.48Å |
| 44 | F | 63.4 | Low | 64.4 | Low | 48 Ų | 48 | 59.3 Ų | 59.3 | 21% | 0.211 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -35.1 | 178.1 | -168.6 | -92.7 | 0 | 0 | 0 | 112.2 | E40 F41 G46 R191 | E40-F44 VanDerWaalsContact O-CB 3.24Å; E40-F44 WeakPolarHBondContact O-CB 3.22Å; E40-F44 PolarHBondContact O-N 2.93Å; F41-F44 WeakPolarHBondContact O-CB 3.2Å; F41-F44 PolarHBondContact O-N 3.36Å; F44-G46 VanDerWaalsContact C-N 3.31Å; F44-R191 PolarHBondContact O-NH1 3.08Å |
| 45 | F | 57.5 | Low | 64.3 | Low | 32 Ų | 32 | 61.5 Ų | 61.5 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 2.2 | 173.9 | -74.1 | -88.2 | 0 | 0 | 0 | 113.6 | F41 K42 S43 V47 I57 P184 W187 | F41-F45 AromaticContact CD1-CD2 3.8Å; F41-F45 HydrophobicContact CD1-CD2 3.8Å; F41-F45 AromaticContact CD1-CE2 3.83Å; F41-F45 HydrophobicContact CD1-CE2 3.83Å; F41-F45 HydrophobicContact CD2-CD2 4.42Å; F41-F45 AromaticContact CD2-CE2 3.86Å; F41-F45 HydrophobicContact CD2-CE2 3.86Å; F41-F45 AromaticContact CE1-CD2 3.71Å; F41-F45 HydrophobicContact CE1-CD2 3.71Å; F41-F45 AromaticContact CE1-CE2 3.41Å; F41-F45 HydrophobicContact CE1-CE2 3.41Å; F41-F45 VanDerWaalsContact CE1-CE2 3.41Å; F41-F45 HydrophobicContact CE1-CZ 4.23Å; F41-F45 HydrophobicContact CE2-CD2 4.35Å; F41-F45 AromaticContact CE2-CE2 3.45Å; F41-F45 HydrophobicContact CE2-CE2 3.45Å; F41-F45 VanDerWaalsContact CE2-CE2 3.45Å; F41-F45 HydrophobicContact CE2-CZ 4.19Å; F41-F45 HydrophobicContact CG-CD2 4.14Å; F41-F45 HydrophobicContact CG-CE2 4.02Å; F41-F45 AromaticContact CZ-CD2 3.99Å; F41-F45 HydrophobicContact CZ-CD2 3.99Å; F41-F45 AromaticContact CZ-CE2 3.19Å; F41-F45 HydrophobicContact CZ-CE2 3.19Å; F41-F45 AromaticContact CZ-CZ 3.78Å; F41-F45 HydrophobicContact CZ-CZ 3.78Å; F41-F45 VanDerWaalsContact O-CD2 3.26Å; F41-F45 WeakPolarHBondContact O-CD2 3.35Å; F41-F45 PolarHBondContact O-N 3.28Å; K42-F45 PolarHBondContact O-N 2.87Å; S43-F45 VanDerWaalsContact C-N 3.31Å; S43-F45 PolarHBondContact O-N 2.86Å; F45-V47 HydrophobicContact CB-CG2 4.02Å; F45-V47 PolarHBondContact O-N 3.45Å; F45-I57 HydrophobicContact CB-CD1 3.36Å; F45-I57 HydrophobicContact CB-CG1 4.36Å; F45-I57 HydrophobicContact CD1-CD1 3.93Å; F45-I57 HydrophobicContact CD2-CD1 3.86Å; F45-I57 HydrophobicContact CG-CD1 3.43Å; F45-I57 VanDerWaalsContact CG-CD1 3.43Å; F45-P184 HydrophobicContact CE1-CB 4.16Å; F45-W187 HydrophobicContact CB-CE3 4.34Å; F45-W187 HydrophobicContact CB-CZ3 4.23Å; F45-W187 AromaticContact CD1-CE3 3.92Å; F45-W187 HydrophobicContact CD1-CE3 3.92Å; F45-W187 HydrophobicContact CD1-CZ3 4.4Å |
| 46 | G | 58.5 | Low | 63.7 | Low | 51 Ų | 51 | 61.4 Ų | 61.4 | 53% | 0.526 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 19.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K42 S43 F44 T48 | K42-G46 PolarHBondContact O-N 3.44Å; S43-G46 PolarHBondContact O-N 3.48Å; F44-G46 VanDerWaalsContact C-N 3.31Å; G46-T48 VanDerWaalsContact C-N 3.33Å; G46-T48 PolarHBondContact O-N 3.28Å |
| 47 | V | 56.9 | Low | 63.4 | Low | 12 Ų | 12 | 61.5 Ų | 61.5 | 7% | 0.073 | 33% | 0.325 | C | S | . | . | trans | -94.8 | 67.8 | -177.6 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | K42 F45 A53 A54 I57 W187 | K42-V47 PolarHBondContact O-N 3.01Å; F45-V47 HydrophobicContact CB-CG2 4.02Å; F45-V47 PolarHBondContact O-N 3.45Å; V47-A53 HydrophobicContact CB-CB 4.4Å; V47-A53 VanDerWaalsContact CG1-C 3.46Å; V47-A53 HydrophobicContact CG1-CB 3.36Å; V47-A53 HydrophobicContact CG2-CB 4.09Å; V47-A54 HydrophobicContact CG1-CB 4.22Å; V47-I57 HydrophobicContact CB-CG1 4.12Å; V47-I57 HydrophobicContact CG1-CG1 4.35Å; V47-I57 HydrophobicContact CG2-CD1 4.07Å; V47-I57 HydrophobicContact CG2-CG1 3.71Å; V47-W187 HydrophobicContact CG2-CH2 4.28Å; V47-W187 HydrophobicContact CG2-CZ3 3.88Å | ||
| 48 | T | 51 | Low | 63.1 | Low | 104 Ų | 104 | 60.4 Ų | 60.4 | 64% | 0.638 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -95.4 | -26.9 | 179.4 | 45.9 | 0 | 0 | 0 | 0 | 113.1 | G46 | G46-T48 VanDerWaalsContact C-N 3.33Å; G46-T48 PolarHBondContact O-N 3.28Å |
| 49 | D | 54 | Low | 62.9 | Low | 159 Ų | 159 | 60.3 Ų | 60.3 | 85% | 0.85 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -121.1 | -6.3 | -172.1 | -80.5 | -74.2 | 0 | 0 | 0 | 115.5 | ||
| 50 | N | 58.2 | Low | 62.8 | Low | 63 Ų | 63 | 54.6 Ų | 54.6 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | trans | -106.1 | 108 | 178.4 | -172.2 | -19.6 | 0 | 0 | 0 | 111.2 | E52 A53 A54 | N50-E52 VanDerWaalsContact C-N 3.29Å; N50-E52 PolarHBondContact O-N 3.49Å; N50-E52 WeakPolarHBondContact OD1-CB 3.23Å; N50-E52 PolarHBondContact OD1-N 2.86Å; N50-A53 HydrophobicContact CB-CB 4.03Å; N50-A53 PolarHBondContact O-N 3.39Å; N50-A53 PolarHBondContact OD1-N 2.9Å; N50-A54 PolarHBondContact O-N 2.79Å | ||
| 51 | K | 58.1 | Low | 62.8 | Low | 181 Ų | 181 | 52.4 Ų | 52.4 | 79% | 0.787 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.9 | -36.4 | 177.8 | -90.5 | -174 | 173.3 | -175.5 | 0 | 113.5 | A54 D55 | K51-A54 WeakPolarHBondContact O-CB 3.3Å; K51-A54 PolarHBondContact O-N 3.02Å; K51-D55 PolarHBondContact O-N 3.39Å; K51-D55 VanDerWaalsContact O-N 3.16Å |
| 52 | E | 56.9 | Low | 62.8 | Low | 76 Ų | 76 | 59.3 Ų | 59.3 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.6 | -37.7 | -177 | -62.1 | 175.6 | 126.3 | 0 | 0 | 111.2 | N50 A54 Y56 | N50-E52 VanDerWaalsContact C-N 3.29Å; N50-E52 PolarHBondContact O-N 3.49Å; N50-E52 WeakPolarHBondContact OD1-CB 3.23Å; N50-E52 PolarHBondContact OD1-N 2.86Å; E52-A54 VanDerWaalsContact C-N 3.29Å; E52-Y56 PolarHBondContact O-N 3.32Å |
| 53 | A | 56.2 | Low | 62.9 | Low | 11 Ų | 11 | 58 Ų | 58 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.2 | -29.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V47 N50 Y56 I57 | V47-A53 HydrophobicContact CB-CB 4.4Å; V47-A53 VanDerWaalsContact CG1-C 3.46Å; V47-A53 HydrophobicContact CG1-CB 3.36Å; V47-A53 HydrophobicContact CG2-CB 4.09Å; N50-A53 HydrophobicContact CB-CB 4.03Å; N50-A53 PolarHBondContact O-N 3.39Å; N50-A53 PolarHBondContact OD1-N 2.9Å; A53-Y56 PolarHBondContact O-N 2.99Å; A53-I57 WeakPolarHBondContact O-CB 3.37Å; A53-I57 WeakPolarHBondContact O-CG1 3.44Å; A53-I57 PolarHBondContact O-N 2.86Å |
| 54 | A | 64.8 | Low | 63.2 | Low | 18 Ų | 18 | 55.2 Ų | 55.2 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K42 V47 N50 K51 E52 Y56 E58 | K42-A54 WeakPolarHBondContact CE-O 3.46Å; V47-A54 HydrophobicContact CG1-CB 4.22Å; N50-A54 PolarHBondContact O-N 2.79Å; K51-A54 WeakPolarHBondContact O-CB 3.3Å; K51-A54 PolarHBondContact O-N 3.02Å; E52-A54 VanDerWaalsContact C-N 3.29Å; A54-Y56 VanDerWaalsContact C-N 3.33Å; A54-E58 VanDerWaalsContact O-CB 3.3Å; A54-E58 WeakPolarHBondContact O-CB 3.32Å; A54-E58 PolarHBondContact O-N 2.9Å |
| 55 | D | 64.7 | Low | 63.8 | Low | 81 Ų | 81 | 53.7 Ų | 53.7 | 43% | 0.433 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 173.6 | -74.1 | -18.7 | 0 | 0 | 0 | 111.3 | K51 E58 N59 R122 | K51-D55 PolarHBondContact O-N 3.39Å; K51-D55 VanDerWaalsContact O-N 3.16Å; D55-E58 WeakPolarHBondContact O-CB 3.43Å; D55-E58 PolarHBondContact O-N 3.09Å; D55-N59 PolarHBondContact O-N 2.8Å; D55-R122 IonicContact OD2-NH2 3.54Å |
| 56 | Y | 65.1 | Low | 64.3 | Low | 37 Ų | 37 | 60 Ų | 60 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 176.8 | 177.2 | -106.4 | 0 | 0 | 0 | 112.3 | E52 A53 A54 E58 N59 M60 L123 M180 V182 | E52-Y56 PolarHBondContact O-N 3.32Å; A53-Y56 PolarHBondContact O-N 2.99Å; A54-Y56 VanDerWaalsContact C-N 3.33Å; Y56-E58 PolarHBondContact O-N 3.11Å; Y56-N59 PolarHBondContact O-N 2.85Å; Y56-M60 WeakPolarHBondContact O-CB 3.45Å; Y56-M60 PolarHBondContact O-N 2.76Å; Y56-L123 HydrophobicContact CD1-CD1 4.29Å; Y56-L123 HydrophobicContact CG-CD1 4.12Å; Y56-M180 HydrophobicContact CD2-CE 3.79Å; Y56-M180 HydrophobicContact CD2-SD 4.45Å; Y56-M180 HydrophobicContact CE1-CE 4.35Å; Y56-M180 HydrophobicContact CE2-CE 3.11Å; Y56-M180 HydrophobicContact CE2-SD 3.46Å; Y56-M180 WeakPolarHBondContact CE2-SD 3.27Å; Y56-M180 VanDerWaalsContact CZ-CE 3.42Å; Y56-V182 HydrophobicContact CE1-CG1 4.3Å |
| 57 | I | 67.3 | Low | 65.1 | Low | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -35.1 | 175 | -70.8 | -73.7 | 0 | 0 | 0 | 110.9 | F41 K42 F45 V47 A53 M60 F61 | F41-I57 HydrophobicContact CD1-CG2 3.5Å; F41-I57 HydrophobicContact CE1-CG2 3.88Å; K42-I57 HydrophobicContact CB-CG2 4.42Å; K42-I57 HydrophobicContact CG-CB 4.33Å; K42-I57 HydrophobicContact CG-CG2 3.57Å; F45-I57 HydrophobicContact CB-CD1 3.36Å; F45-I57 HydrophobicContact CB-CG1 4.36Å; F45-I57 HydrophobicContact CD1-CD1 3.93Å; F45-I57 HydrophobicContact CD2-CD1 3.86Å; F45-I57 HydrophobicContact CG-CD1 3.43Å; F45-I57 VanDerWaalsContact CG-CD1 3.43Å; V47-I57 HydrophobicContact CB-CG1 4.12Å; V47-I57 HydrophobicContact CG1-CG1 4.35Å; V47-I57 HydrophobicContact CG2-CD1 4.07Å; V47-I57 HydrophobicContact CG2-CG1 3.71Å; A53-I57 WeakPolarHBondContact O-CB 3.37Å; A53-I57 WeakPolarHBondContact O-CG1 3.44Å; A53-I57 PolarHBondContact O-N 2.86Å; I57-M60 WeakPolarHBondContact O-CB 3.26Å; I57-M60 PolarHBondContact O-N 3.45Å; I57-F61 VanDerWaalsContact O-CB 3.31Å; I57-F61 WeakPolarHBondContact O-CB 3.24Å; I57-F61 PolarHBondContact O-N 2.87Å |
| 58 | E | 72.2 | Confident | 65.8 | Low | 57 Ų | 57 | 63.5 Ų | 63.5 | 27% | 0.266 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 177.9 | 178.4 | 159 | 165.5 | 0 | 0 | 112.6 | M38 K42 A54 D55 Y56 M60 F61 R62 | M38-E58 HydrophobicContact CE-CB 4.17Å; M38-E58 HydrophobicContact CE-CG 3.7Å; M38-E58 HydrophobicContact SD-CB 4.13Å; M38-E58 HydrophobicContact SD-CG 4.25Å; K42-E58 IonicContact NZ-OE2 3.4Å; K42-E58 PolarHBondContact NZ-OE2 3.48Å; A54-E58 VanDerWaalsContact O-CB 3.3Å; A54-E58 WeakPolarHBondContact O-CB 3.32Å; A54-E58 PolarHBondContact O-N 2.9Å; D55-E58 WeakPolarHBondContact O-CB 3.43Å; D55-E58 PolarHBondContact O-N 3.09Å; Y56-E58 PolarHBondContact O-N 3.11Å; E58-M60 VanDerWaalsContact C-N 3.27Å; E58-M60 PolarHBondContact O-N 3.3Å; E58-F61 PolarHBondContact O-N 3.19Å; E58-R62 WeakPolarHBondContact O-CG 3.24Å; E58-R62 PolarHBondContact O-N 3.3Å; E58-R62 IonicContact OE1-NH2 2.66Å |
| 59 | N | 67.8 | Low | 67.1 | Low | 34 Ų | 34 | 62.2 Ų | 62.2 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 169.6 | -69 | -23.2 | 0 | 0 | 0 | 110.1 | D55 Y56 F61 R62 A63 M99 | D55-N59 PolarHBondContact O-N 2.8Å; Y56-N59 PolarHBondContact O-N 2.85Å; N59-F61 VanDerWaalsContact C-N 3.34Å; N59-F61 PolarHBondContact O-N 2.85Å; N59-R62 WeakPolarHBondContact O-CB 3.41Å; N59-R62 PolarHBondContact O-N 2.93Å; N59-R62 VanDerWaalsContact O-N 3.15Å; N59-A63 PolarHBondContact O-N 2.86Å; N59-M99 VanDerWaalsContact C-SD 3.53Å; N59-M99 HydrophobicContact CB-CE 4.11Å; N59-M99 HydrophobicContact CB-SD 4.09Å; N59-M99 WeakPolarHBondContact O-CE 3.29Å |
| 60 | M | 69.9 | Low | 68.2 | Low | 9 Ų | 9 | 59.5 Ų | 59.5 | 4% | 0.044 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 179.3 | -163.6 | 88.9 | -61.5 | 0 | 0 | 113.6 | Y56 I57 E58 R62 A63 F64 W95 M99 | Y56-M60 WeakPolarHBondContact O-CB 3.45Å; Y56-M60 PolarHBondContact O-N 2.76Å; I57-M60 WeakPolarHBondContact O-CB 3.26Å; I57-M60 PolarHBondContact O-N 3.45Å; E58-M60 VanDerWaalsContact C-N 3.27Å; E58-M60 PolarHBondContact O-N 3.3Å; M60-R62 VanDerWaalsContact C-N 3.34Å; M60-A63 HydrophobicContact CE-CB 4.23Å; M60-A63 PolarHBondContact O-N 3.25Å; M60-F64 HydrophobicContact CG-CD2 3.96Å; M60-F64 HydrophobicContact CG-CE2 3.39Å; M60-F64 HydrophobicContact CG-CZ 4.15Å; M60-F64 WeakPolarHBondContact O-CD2 3.35Å; M60-F64 PolarHBondContact O-N 3.2Å; M60-F64 HydrophobicContact SD-CE2 4.17Å; M60-F64 HydrophobicContact SD-CZ 4.36Å; M60-W95 HydrophobicContact CE-CH2 3.02Å; M60-W95 HydrophobicContact CE-CZ2 3.5Å; M60-W95 VanDerWaalsContact CE-CZ2 3.5Å; M60-W95 HydrophobicContact CE-CZ3 3.74Å; M60-W95 HydrophobicContact CG-CH2 4.46Å; M60-W95 HydrophobicContact SD-CH2 3.4Å; M60-W95 WeakPolarHBondContact SD-CH2 3.13Å; M60-W95 HydrophobicContact SD-CZ2 4.19Å; M60-W95 HydrophobicContact SD-CZ3 4.21Å; M60-M99 HydrophobicContact CE-CG 4.04Å; M60-M99 HydrophobicContact CE-SD 3.52Å; M60-M99 VanDerWaalsContact CE-SD 3.52Å |
| 61 | F | 72.5 | Confident | 69.2 | Low | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 174.7 | -175.2 | -82.8 | 0 | 0 | 0 | 111 | L36 M38 F41 I57 E58 N59 A63 F64 D65 N70 I72 | L36-F61 WeakPolarHBondContact O-CE2 3.24Å; M38-F61 HydrophobicContact CB-CE1 4.4Å; M38-F61 HydrophobicContact CB-CE2 4.32Å; M38-F61 HydrophobicContact CB-CZ 4.24Å; M38-F61 HydrophobicContact CE-CB 3.55Å; M38-F61 HydrophobicContact CE-CD1 3.23Å; M38-F61 HydrophobicContact CE-CD2 4.32Å; M38-F61 HydrophobicContact CE-CE1 3.97Å; M38-F61 HydrophobicContact CE-CG 3.43Å; M38-F61 VanDerWaalsContact CE-CG 3.43Å; M38-F61 HydrophobicContact SD-CB 3.63Å; M38-F61 HydrophobicContact SD-CD1 4.05Å; M38-F61 HydrophobicContact SD-CD2 4.05Å; M38-F61 HydrophobicContact SD-CG 3.64Å; F41-F61 HydrophobicContact CB-CD2 3.62Å; F41-F61 HydrophobicContact CB-CE2 3.93Å; F41-F61 HydrophobicContact CD1-CB 4.13Å; F41-F61 AromaticContact CD1-CD2 3.83Å; F41-F61 HydrophobicContact CD1-CD2 3.83Å; F41-F61 HydrophobicContact CD1-CG 4.5Å; F41-F61 AromaticContact CD2-CD2 3.99Å; F41-F61 HydrophobicContact CD2-CD2 3.99Å; F41-F61 HydrophobicContact CD2-CE2 4.48Å; F41-F61 HydrophobicContact CE1-CB 4.23Å; F41-F61 HydrophobicContact CE1-CD2 4.46Å; F41-F61 AromaticContact CG-CD2 3.59Å; F41-F61 HydrophobicContact CG-CD2 3.59Å; F41-F61 HydrophobicContact CG-CE2 4.25Å; I57-F61 VanDerWaalsContact O-CB 3.31Å; I57-F61 WeakPolarHBondContact O-CB 3.24Å; I57-F61 PolarHBondContact O-N 2.87Å; E58-F61 PolarHBondContact O-N 3.19Å; N59-F61 VanDerWaalsContact C-N 3.34Å; N59-F61 PolarHBondContact O-N 2.85Å; F61-A63 VanDerWaalsContact C-N 3.3Å; F61-A63 PolarHBondContact O-N 2.93Å; F61-F64 PolarHBondContact O-N 3Å; F61-F64 VanDerWaalsContact O-N 3.07Å; F61-D65 HydrophobicContact CD1-CB 4.43Å; F61-D65 HydrophobicContact CE1-CB 4.33Å; F61-D65 WeakPolarHBondContact O-CB 3.4Å; F61-D65 PolarHBondContact O-N 2.93Å; F61-N70 WeakPolarHBondContact CE1-O 3.49Å; F61-N70 WeakPolarHBondContact CZ-O 3.5Å; F61-I72 HydrophobicContact CD2-CD1 3.37Å; F61-I72 HydrophobicContact CD2-CG1 3.95Å; F61-I72 HydrophobicContact CE1-CG1 4.4Å; F61-I72 HydrophobicContact CE2-CB 4.42Å; F61-I72 HydrophobicContact CE2-CD1 3.52Å; F61-I72 HydrophobicContact CE2-CG1 3.63Å; F61-I72 HydrophobicContact CG-CD1 3.99Å; F61-I72 HydrophobicContact CG-CG1 4.48Å; F61-I72 HydrophobicContact CZ-CD1 4.24Å; F61-I72 HydrophobicContact CZ-CG1 3.89Å |
| 62 | R | 73.3 | Confident | 70.1 | Confident | 150 Ų | 150 | 48.6 Ų | 48.6 | 57% | 0.566 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.1 | -33.9 | 175.4 | -72.9 | -177.3 | -179 | -173.5 | 5.6 | 113.4 | E58 N59 M60 F64 | E58-R62 WeakPolarHBondContact O-CG 3.24Å; E58-R62 PolarHBondContact O-N 3.3Å; E58-R62 IonicContact OE1-NH2 2.66Å; N59-R62 WeakPolarHBondContact O-CB 3.41Å; N59-R62 PolarHBondContact O-N 2.93Å; N59-R62 VanDerWaalsContact O-N 3.15Å; M60-R62 VanDerWaalsContact C-N 3.34Å; R62-F64 VanDerWaalsContact C-N 3.28Å; R62-F64 PolarHBondContact O-N 3.04Å |
| 63 | A | 68.4 | Low | 71 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 16% | 0.157 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.7 | -18.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N59 M60 F61 W95 M99 | N59-A63 PolarHBondContact O-N 2.86Å; M60-A63 HydrophobicContact CE-CB 4.23Å; M60-A63 PolarHBondContact O-N 3.25Å; F61-A63 VanDerWaalsContact C-N 3.3Å; F61-A63 PolarHBondContact O-N 2.93Å; A63-W95 HydrophobicContact CB-CZ2 3.82Å; A63-W95 PolarHBondContact O-NE1 3.41Å; A63-M99 HydrophobicContact CB-CB 4.22Å; A63-M99 HydrophobicContact CB-CE 3.65Å; A63-M99 HydrophobicContact CB-CG 4.35Å; A63-M99 HydrophobicContact CB-SD 3.32Å; A63-M99 WeakPolarHBondContact CB-SD 3.47Å |
| 64 | F | 70.7 | Confident | 71.7 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -92.6 | -34.4 | 175.1 | -68.3 | -46.7 | 0 | 0 | 0 | 112.7 | F41 M60 F61 R62 K66 I72 A80 V84 W95 | F41-F64 HydrophobicContact CE2-CD2 4.18Å; F41-F64 AromaticContact CZ-CD2 3.71Å; F41-F64 HydrophobicContact CZ-CD2 3.71Å; F41-F64 AromaticContact CZ-CE2 3.92Å; F41-F64 HydrophobicContact CZ-CE2 3.92Å; M60-F64 HydrophobicContact CG-CD2 3.96Å; M60-F64 HydrophobicContact CG-CE2 3.39Å; M60-F64 HydrophobicContact CG-CZ 4.15Å; M60-F64 WeakPolarHBondContact O-CD2 3.35Å; M60-F64 PolarHBondContact O-N 3.2Å; M60-F64 HydrophobicContact SD-CE2 4.17Å; M60-F64 HydrophobicContact SD-CZ 4.36Å; F61-F64 PolarHBondContact O-N 3Å; F61-F64 VanDerWaalsContact O-N 3.07Å; R62-F64 VanDerWaalsContact C-N 3.28Å; R62-F64 PolarHBondContact O-N 3.04Å; F64-K66 PolarHBondContact O-N 2.8Å; F64-K66 VanDerWaalsContact O-N 3.07Å; F64-I72 HydrophobicContact CB-CD1 3.7Å; F64-I72 HydrophobicContact CB-CG1 4.23Å; F64-I72 HydrophobicContact CD2-CD1 4.46Å; F64-A80 HydrophobicContact CB-CB 4.5Å; F64-A80 HydrophobicContact CD1-CB 3.19Å; F64-A80 HydrophobicContact CD2-CB 4.09Å; F64-A80 VanDerWaalsContact CE1-CA 3.41Å; F64-A80 HydrophobicContact CE1-CB 3.15Å; F64-A80 HydrophobicContact CE2-CB 4.04Å; F64-A80 HydrophobicContact CG-CB 3.69Å; F64-A80 HydrophobicContact CZ-CB 3.61Å; F64-V84 HydrophobicContact CZ-CG2 4.09Å; F64-W95 AromaticContact CD1-CZ2 3.59Å; F64-W95 HydrophobicContact CD1-CZ2 3.59Å; F64-W95 AromaticContact CE1-CE2 3.69Å; F64-W95 AromaticContact CE1-CH2 3.62Å; F64-W95 HydrophobicContact CE1-CH2 3.62Å; F64-W95 AromaticContact CE1-CZ2 3.03Å; F64-W95 HydrophobicContact CE1-CZ2 3.03Å; F64-W95 HydrophobicContact CE2-CH2 4.28Å; F64-W95 HydrophobicContact CE2-CZ2 4.1Å; F64-W95 HydrophobicContact CG-CZ2 4.31Å; F64-W95 AromaticContact CZ-CH2 3.46Å; F64-W95 HydrophobicContact CZ-CH2 3.46Å; F64-W95 VanDerWaalsContact CZ-CH2 3.46Å; F64-W95 AromaticContact CZ-CZ2 3.34Å; F64-W95 HydrophobicContact CZ-CZ2 3.34Å |
| 65 | D | 76.6 | Confident | 72 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | trans | -71 | 90.6 | 172.3 | 178 | 7.1 | 0 | 0 | 0 | 110.3 | F61 N67 G68 D69 N70 | F61-D65 HydrophobicContact CD1-CB 4.43Å; F61-D65 HydrophobicContact CE1-CB 4.33Å; F61-D65 WeakPolarHBondContact O-CB 3.4Å; F61-D65 PolarHBondContact O-N 2.93Å; D65-N67 PolarHBondContact OD1-OD1 3.39Å; D65-G68 VanDerWaalsContact OD1-CA 3.26Å; D65-G68 WeakPolarHBondContact OD1-CA 3.26Å; D65-G68 PolarHBondContact OD1-N 2.93Å; D65-D69 PolarHBondContact OD1-N 3.18Å; D65-D69 PolarHBondContact OD2-N 3.44Å; D65-N70 WeakPolarHBondContact OD2-CA 3.09Å; D65-N70 PolarHBondContact OD2-N 3.12Å | ||
| 66 | K | 68.3 | Low | 72.4 | Confident | 166 Ų | 166 | 51.6 Ų | 51.6 | 72% | 0.722 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -80.9 | -27.9 | -178.5 | -78.5 | -169.4 | 178.4 | 175.9 | 0 | 112.4 | F64 E76 | F64-K66 PolarHBondContact O-N 2.8Å; F64-K66 VanDerWaalsContact O-N 3.07Å; K66-E76 PolarHBondContact N-OE1 2.92Å |
| 67 | N | 73.6 | Confident | 72.7 | Confident | 85 Ų | 85 | 50.9 Ų | 50.9 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -88.1 | -10.8 | -176 | 72.7 | 18 | 0 | 0 | 0 | 111.9 | D65 D69 E76 | D65-N67 PolarHBondContact OD1-OD1 3.39Å; N67-D69 VanDerWaalsContact C-N 3.27Å; N67-D69 VanDerWaalsContact CG-CG 3.48Å; N67-D69 PolarHBondContact ND2-OD2 3.32Å; N67-D69 PolarHBondContact O-N 2.89Å; N67-D69 WeakPolarHBondContact OD1-CB 3.45Å; N67-D69 PolarHBondContact OD1-N 3.38Å; N67-D69 PolarHBondContact OD1-OD1 3.3Å; N67-D69 VanDerWaalsContact OD1-OD1 3.12Å; N67-D69 PolarHBondContact OD1-OD2 3.32Å; N67-E76 PolarHBondContact N-OE1 2.94Å |
| 68 | G | 73.1 | Confident | 72.7 | Confident | 51 Ų | 51 | 51.5 Ų | 51.5 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | trans | 71.3 | 19.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D65 N70 | D65-G68 VanDerWaalsContact OD1-CA 3.26Å; D65-G68 WeakPolarHBondContact OD1-CA 3.26Å; D65-G68 PolarHBondContact OD1-N 2.93Å; G68-N70 PolarHBondContact O-N 2.9Å | ||
| 69 | D | 78.4 | Confident | 72.5 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -83.2 | 3.4 | -176.6 | 76.9 | 11.7 | 0 | 0 | 0 | 113.1 | D65 N67 T71 | D65-D69 PolarHBondContact OD1-N 3.18Å; D65-D69 PolarHBondContact OD2-N 3.44Å; N67-D69 VanDerWaalsContact C-N 3.27Å; N67-D69 VanDerWaalsContact CG-CG 3.48Å; N67-D69 PolarHBondContact ND2-OD2 3.32Å; N67-D69 PolarHBondContact O-N 2.89Å; N67-D69 WeakPolarHBondContact OD1-CB 3.45Å; N67-D69 PolarHBondContact OD1-N 3.38Å; N67-D69 PolarHBondContact OD1-OD1 3.3Å; N67-D69 VanDerWaalsContact OD1-OD1 3.12Å; N67-D69 PolarHBondContact OD1-OD2 3.32Å; D69-T71 PolarHBondContact O-N 2.97Å; D69-T71 VanDerWaalsContact OD1-CA 3.24Å; D69-T71 WeakPolarHBondContact OD1-CA 3.44Å; D69-T71 VanDerWaalsContact OD1-CB 3.27Å; D69-T71 WeakPolarHBondContact OD1-CB 3.48Å; D69-T71 PolarHBondContact OD1-N 3.36Å; D69-T71 PolarHBondContact OD1-OG1 3.21Å; D69-T71 PolarHBondContact OD2-OG1 3.36Å |
| 70 | N | 76.5 | Confident | 72.5 | Confident | 101 Ų | 101 | 49.9 Ų | 49.9 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 60 | 22.8 | -174.6 | -64 | -84.2 | 0 | 0 | 0 | 113.4 | F61 D65 G68 | F61-N70 WeakPolarHBondContact CE1-O 3.49Å; F61-N70 WeakPolarHBondContact CZ-O 3.5Å; D65-N70 WeakPolarHBondContact OD2-CA 3.09Å; D65-N70 PolarHBondContact OD2-N 3.12Å; G68-N70 PolarHBondContact O-N 2.9Å |
| 71 | T | 79.3 | Confident | 72.2 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 9% | 0.092 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 155.5 | 170.6 | 76.8 | 0 | 0 | 0 | 0 | 109.3 | F37 D69 | F37-T71 HydrophobicContact CD1-CG2 3.66Å; F37-T71 HydrophobicContact CE1-CG2 3.41Å; F37-T71 VanDerWaalsContact CE1-CG2 3.41Å; F37-T71 HydrophobicContact CG-CG2 4.5Å; F37-T71 HydrophobicContact CZ-CG2 4.08Å; D69-T71 PolarHBondContact O-N 2.97Å; D69-T71 VanDerWaalsContact OD1-CA 3.24Å; D69-T71 WeakPolarHBondContact OD1-CA 3.44Å; D69-T71 VanDerWaalsContact OD1-CB 3.27Å; D69-T71 WeakPolarHBondContact OD1-CB 3.48Å; D69-T71 PolarHBondContact OD1-N 3.36Å; D69-T71 PolarHBondContact OD1-OG1 3.21Å; D69-T71 PolarHBondContact OD2-OG1 3.36Å |
| 72 | I | 77.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.6 | 171 | -66.9 | 173 | 0 | 0 | 0 | 106.7 | L36 F41 F61 F64 E76 | L36-I72 HydrophobicContact CB-CB 4.23Å; L36-I72 PolarHBondContact N-O 3.47Å; L36-I72 PolarHBondContact O-N 3.32Å; F41-I72 HydrophobicContact CD2-CD1 3.69Å; F41-I72 HydrophobicContact CE2-CD1 3.59Å; F41-I72 HydrophobicContact CG-CD1 4.46Å; F41-I72 HydrophobicContact CZ-CD1 4.28Å; F61-I72 HydrophobicContact CD2-CD1 3.37Å; F61-I72 HydrophobicContact CD2-CG1 3.95Å; F61-I72 HydrophobicContact CE1-CG1 4.4Å; F61-I72 HydrophobicContact CE2-CB 4.42Å; F61-I72 HydrophobicContact CE2-CD1 3.52Å; F61-I72 HydrophobicContact CE2-CG1 3.63Å; F61-I72 HydrophobicContact CG-CD1 3.99Å; F61-I72 HydrophobicContact CG-CG1 4.48Å; F61-I72 HydrophobicContact CZ-CD1 4.24Å; F61-I72 HydrophobicContact CZ-CG1 3.89Å; F64-I72 HydrophobicContact CB-CD1 3.7Å; F64-I72 HydrophobicContact CB-CG1 4.23Å; F64-I72 HydrophobicContact CD2-CD1 4.46Å; I72-E76 HydrophobicContact CG2-CB 3.78Å |
| 73 | D | 74.5 | Confident | 71.3 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | trans | -74.5 | 169.8 | 173.8 | 78 | 38.6 | 0 | 0 | 0 | 111.5 | L75 E76 Y77 | D73-L75 VanDerWaalsContact C-N 3.27Å; D73-L75 PolarHBondContact O-N 2.66Å; D73-L75 VanDerWaalsContact OD1-CA 3.31Å; D73-L75 WeakPolarHBondContact OD1-CA 3.25Å; D73-L75 VanDerWaalsContact OD1-CB 3.29Å; D73-L75 WeakPolarHBondContact OD1-CB 3.28Å; D73-L75 PolarHBondContact OD1-N 3.4Å; D73-E76 PolarHBondContact N-OE2 3.05Å; D73-E76 PolarHBondContact O-N 3.15Å; D73-E76 PolarHBondContact OD1-N 3.03Å; D73-Y77 WeakPolarHBondContact O-CB 3.49Å; D73-Y77 PolarHBondContact O-N 2.86Å | ||
| 74 | F | 70.8 | Confident | 70.9 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 23% | 0.232 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -35.3 | -178.7 | 175.2 | -115.5 | 0 | 0 | 0 | 113.2 | L20 Y24 F27 V78 | L20-F74 HydrophobicContact CD1-CZ 4.42Å; L20-F74 HydrophobicContact CG-CZ 4.48Å; Y24-F74 HydrophobicContact CD2-CD1 4.01Å; Y24-F74 AromaticContact CD2-CD2 3.49Å; Y24-F74 HydrophobicContact CD2-CD2 3.49Å; Y24-F74 VanDerWaalsContact CD2-CD2 3.49Å; Y24-F74 AromaticContact CD2-CE1 3.83Å; Y24-F74 HydrophobicContact CD2-CE1 3.83Å; Y24-F74 AromaticContact CD2-CE2 3.3Å; Y24-F74 HydrophobicContact CD2-CE2 3.3Å; Y24-F74 AromaticContact CD2-CG 3.84Å; Y24-F74 HydrophobicContact CD2-CG 3.84Å; Y24-F74 AromaticContact CD2-CZ 3.47Å; Y24-F74 HydrophobicContact CD2-CZ 3.47Å; Y24-F74 VanDerWaalsContact CD2-CZ 3.47Å; Y24-F74 HydrophobicContact CE2-CD1 4.13Å; Y24-F74 HydrophobicContact CE2-CD2 4.1Å; Y24-F74 HydrophobicContact CE2-CE1 4.29Å; Y24-F74 HydrophobicContact CE2-CE2 4.28Å; Y24-F74 HydrophobicContact CE2-CG 4.02Å; Y24-F74 HydrophobicContact CE2-CZ 4.35Å; Y24-F74 HydrophobicContact CG-CE1 4.47Å; Y24-F74 AromaticContact CG-CE2 3.94Å; Y24-F74 HydrophobicContact CG-CE2 3.94Å; Y24-F74 AromaticContact CG-CZ 3.89Å; Y24-F74 HydrophobicContact CG-CZ 3.89Å; F27-F74 HydrophobicContact CD1-CD2 4.37Å; F27-F74 HydrophobicContact CE1-CB 4.42Å; F74-V78 HydrophobicContact CD1-CG2 4.45Å; F74-V78 HydrophobicContact CD2-CG2 3.84Å; F74-V78 HydrophobicContact CE1-CG2 4.02Å; F74-V78 HydrophobicContact CE2-CG2 3.31Å; F74-V78 HydrophobicContact CG-CG2 4.39Å; F74-V78 HydrophobicContact CZ-CG2 3.43Å; F74-V78 VanDerWaalsContact CZ-CG2 3.43Å; F74-V78 WeakPolarHBondContact O-CB 3.3Å; F74-V78 WeakPolarHBondContact O-CG2 3.42Å; F74-V78 PolarHBondContact O-N 3.34Å |
| 75 | L | 71.2 | Confident | 70.2 | Confident | 130 Ų | 130 | 47.1 Ų | 47.1 | 68% | 0.681 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -70.9 | -39.6 | 179.1 | -64.6 | 171.6 | 0 | 0 | 0 | 110.9 | D73 V78 A79 | D73-L75 VanDerWaalsContact C-N 3.27Å; D73-L75 PolarHBondContact O-N 2.66Å; D73-L75 VanDerWaalsContact OD1-CA 3.31Å; D73-L75 WeakPolarHBondContact OD1-CA 3.25Å; D73-L75 VanDerWaalsContact OD1-CB 3.29Å; D73-L75 WeakPolarHBondContact OD1-CB 3.28Å; D73-L75 PolarHBondContact OD1-N 3.4Å; L75-V78 PolarHBondContact O-N 3.43Å; L75-A79 VanDerWaalsContact O-CB 3.29Å; L75-A79 WeakPolarHBondContact O-CB 2.9Å; L75-A79 PolarHBondContact O-N 3.29Å |
| 76 | E | 74.5 | Confident | 69.3 | Low | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.079 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 174.5 | -69.4 | 173.3 | 142.7 | 0 | 0 | 111.4 | K66 N67 I72 D73 A79 A80 | K66-E76 PolarHBondContact N-OE1 2.92Å; N67-E76 PolarHBondContact N-OE1 2.94Å; I72-E76 HydrophobicContact CG2-CB 3.78Å; D73-E76 PolarHBondContact N-OE2 3.05Å; D73-E76 PolarHBondContact O-N 3.15Å; D73-E76 PolarHBondContact OD1-N 3.03Å; E76-A79 PolarHBondContact O-N 2.96Å; E76-A80 WeakPolarHBondContact O-CB 3.3Å; E76-A80 PolarHBondContact O-N 2.88Å |
| 77 | Y | 71.5 | Confident | 68.7 | Low | 22 Ų | 22 | 41.7 Ų | 41.7 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 174 | 179.6 | -106.2 | 0 | 0 | 0 | 112.5 | F27 L36 D73 A80 L81 | F27-Y77 HydrophobicContact CB-CE1 4.24Å; F27-Y77 AromaticContact CD2-CD1 3.48Å; F27-Y77 HydrophobicContact CD2-CD1 3.48Å; F27-Y77 VanDerWaalsContact CD2-CD1 3.48Å; F27-Y77 AromaticContact CD2-CD2 3.95Å; F27-Y77 HydrophobicContact CD2-CD2 3.95Å; F27-Y77 AromaticContact CD2-CE1 3.6Å; F27-Y77 HydrophobicContact CD2-CE1 3.6Å; F27-Y77 HydrophobicContact CD2-CE2 4.08Å; F27-Y77 AromaticContact CD2-CG 3.65Å; F27-Y77 HydrophobicContact CD2-CG 3.65Å; F27-Y77 AromaticContact CD2-CZ 3.9Å; F27-Y77 AromaticContact CE2-CD1 3.84Å; F27-Y77 HydrophobicContact CE2-CD1 3.84Å; F27-Y77 AromaticContact CE2-CD2 3.82Å; F27-Y77 HydrophobicContact CE2-CD2 3.82Å; F27-Y77 HydrophobicContact CE2-CE1 4.36Å; F27-Y77 HydrophobicContact CE2-CE2 4.35Å; F27-Y77 AromaticContact CE2-CG 3.54Å; F27-Y77 HydrophobicContact CE2-CG 3.54Å; F27-Y77 HydrophobicContact CG-CD1 4.22Å; F27-Y77 HydrophobicContact CG-CE1 4.28Å; L36-Y77 HydrophobicContact CD1-CD2 4.44Å; L36-Y77 HydrophobicContact CD1-CE2 4.43Å; D73-Y77 WeakPolarHBondContact O-CB 3.49Å; D73-Y77 PolarHBondContact O-N 2.86Å; Y77-A80 WeakPolarHBondContact O-CB 3.34Å; Y77-A80 PolarHBondContact O-N 3.34Å; Y77-L81 HydrophobicContact CD1-CD1 3.9Å; Y77-L81 HydrophobicContact CD1-CG 4.47Å; Y77-L81 HydrophobicContact CE1-CD1 3.29Å; Y77-L81 HydrophobicContact CE1-CG 4.12Å; Y77-L81 HydrophobicContact CE2-CD1 4.29Å; Y77-L81 HydrophobicContact CE2-CG 4.35Å; Y77-L81 WeakPolarHBondContact O-CG 3.13Å; Y77-L81 PolarHBondContact O-N 2.8Å |
| 78 | V | 67.6 | Low | 68.2 | Low | 19 Ų | 19 | 42.1 Ų | 42.1 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.3 | -38 | 177.7 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | L20 F74 L75 A80 L81 N82 | L20-V78 HydrophobicContact CD1-CB 4.16Å; L20-V78 HydrophobicContact CD1-CG1 3.48Å; L20-V78 VanDerWaalsContact CD1-CG1 3.48Å; L20-V78 HydrophobicContact CD1-CG2 3.52Å; F74-V78 HydrophobicContact CD1-CG2 4.45Å; F74-V78 HydrophobicContact CD2-CG2 3.84Å; F74-V78 HydrophobicContact CE1-CG2 4.02Å; F74-V78 HydrophobicContact CE2-CG2 3.31Å; F74-V78 HydrophobicContact CG-CG2 4.39Å; F74-V78 HydrophobicContact CZ-CG2 3.43Å; F74-V78 VanDerWaalsContact CZ-CG2 3.43Å; F74-V78 WeakPolarHBondContact O-CB 3.3Å; F74-V78 WeakPolarHBondContact O-CG2 3.42Å; F74-V78 PolarHBondContact O-N 3.34Å; L75-V78 PolarHBondContact O-N 3.43Å; V78-A80 VanDerWaalsContact C-N 3.33Å; V78-L81 PolarHBondContact O-N 2.9Å; V78-N82 WeakPolarHBondContact CG1-ND2 3.38Å; V78-N82 WeakPolarHBondContact O-CB 3.36Å; V78-N82 PolarHBondContact O-N 3.45Å; V78-N82 PolarHBondContact O-ND2 3.26Å |
| 79 | A | 66.9 | Low | 67.7 | Low | 48 Ų | 48 | 42.8 Ų | 42.8 | 40% | 0.397 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | L75 E76 N82 L83 | L75-A79 VanDerWaalsContact O-CB 3.29Å; L75-A79 WeakPolarHBondContact O-CB 2.9Å; L75-A79 PolarHBondContact O-N 3.29Å; E76-A79 PolarHBondContact O-N 2.96Å; A79-N82 PolarHBondContact O-N 3.33Å; A79-L83 VanDerWaalsContact O-CB 3.26Å; A79-L83 WeakPolarHBondContact O-CB 3.12Å; A79-L83 PolarHBondContact O-N 2.79Å |
| 80 | A | 67.1 | Low | 67.1 | Low | 8 Ų | 8 | 43.4 Ų | 43.4 | 7% | 0.066 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F64 E76 Y77 V78 N82 L83 V84 | F64-A80 HydrophobicContact CB-CB 4.5Å; F64-A80 HydrophobicContact CD1-CB 3.19Å; F64-A80 HydrophobicContact CD2-CB 4.09Å; F64-A80 VanDerWaalsContact CE1-CA 3.41Å; F64-A80 HydrophobicContact CE1-CB 3.15Å; F64-A80 HydrophobicContact CE2-CB 4.04Å; F64-A80 HydrophobicContact CG-CB 3.69Å; F64-A80 HydrophobicContact CZ-CB 3.61Å; E76-A80 WeakPolarHBondContact O-CB 3.3Å; E76-A80 PolarHBondContact O-N 2.88Å; Y77-A80 WeakPolarHBondContact O-CB 3.34Å; Y77-A80 PolarHBondContact O-N 3.34Å; V78-A80 VanDerWaalsContact C-N 3.33Å; A80-N82 PolarHBondContact O-N 2.99Å; A80-L83 PolarHBondContact O-N 2.94Å; A80-V84 WeakPolarHBondContact O-CB 3.43Å; A80-V84 WeakPolarHBondContact O-CG2 3.4Å; A80-V84 PolarHBondContact O-N 3.06Å |
| 81 | L | 65 | Low | 66.6 | Low | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 179.1 | -72.6 | -178 | 0 | 0 | 0 | 112.7 | W23 Y77 V78 L83 V84 L85 I188 | W23-L81 HydrophobicContact CB-CD1 4.48Å; W23-L81 HydrophobicContact CD2-CD1 3.91Å; W23-L81 HydrophobicContact CE3-CB 4.33Å; W23-L81 HydrophobicContact CE3-CD1 3.51Å; W23-L81 HydrophobicContact CG-CD1 4.34Å; W23-L81 HydrophobicContact CZ3-CB 3.97Å; W23-L81 HydrophobicContact CZ3-CD1 3.97Å; Y77-L81 HydrophobicContact CD1-CD1 3.9Å; Y77-L81 HydrophobicContact CD1-CG 4.47Å; Y77-L81 HydrophobicContact CE1-CD1 3.29Å; Y77-L81 HydrophobicContact CE1-CG 4.12Å; Y77-L81 HydrophobicContact CE2-CD1 4.29Å; Y77-L81 HydrophobicContact CE2-CG 4.35Å; Y77-L81 WeakPolarHBondContact O-CG 3.13Å; Y77-L81 PolarHBondContact O-N 2.8Å; V78-L81 PolarHBondContact O-N 2.9Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L81-L83 PolarHBondContact O-N 3.07Å; L81-V84 PolarHBondContact O-N 3.38Å; L81-L85 HydrophobicContact CB-CD1 4.26Å; L81-L85 HydrophobicContact CD2-CD1 4.2Å; L81-L85 WeakPolarHBondContact O-CB 3.33Å; L81-L85 WeakPolarHBondContact O-CG 3.42Å; L81-L85 PolarHBondContact O-N 3.32Å; L81-I188 HydrophobicContact CD2-CD1 3.64Å |
| 82 | N | 62.6 | Low | 66 | Low | 57 Ų | 57 | 46.7 Ų | 46.7 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 174.8 | -93.4 | -72.9 | 0 | 0 | 0 | 111.5 | I15 V78 A79 A80 R86 G87 | I15-N82 HydrophobicContact CD1-CB 4.25Å; I15-N82 WeakPolarHBondContact CD1-OD1 3.44Å; I15-N82 WeakPolarHBondContact CG1-OD1 3.34Å; V78-N82 WeakPolarHBondContact CG1-ND2 3.38Å; V78-N82 WeakPolarHBondContact O-CB 3.36Å; V78-N82 PolarHBondContact O-N 3.45Å; V78-N82 PolarHBondContact O-ND2 3.26Å; A79-N82 PolarHBondContact O-N 3.33Å; A80-N82 PolarHBondContact O-N 2.99Å; N82-R86 CarbonylContact O-C 3.4Å; N82-R86 WeakPolarHBondContact O-CA 3.26Å; N82-R86 PolarHBondContact O-N 2.98Å; N82-G87 PolarHBondContact O-N 3.1Å |
| 83 | L | 63.5 | Low | 65.6 | Low | 26 Ų | 26 | 47 Ų | 47 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -45.2 | -178.5 | -175.7 | 78.3 | 0 | 0 | 0 | 112 | A79 A80 L81 G87 H91 K92 W95 | A79-L83 VanDerWaalsContact O-CB 3.26Å; A79-L83 WeakPolarHBondContact O-CB 3.12Å; A79-L83 PolarHBondContact O-N 2.79Å; A80-L83 PolarHBondContact O-N 2.94Å; L81-L83 VanDerWaalsContact C-N 3.32Å; L81-L83 PolarHBondContact O-N 3.07Å; L83-G87 WeakPolarHBondContact O-CA 3.33Å; L83-G87 PolarHBondContact O-N 2.95Å; L83-G87 VanDerWaalsContact O-N 3.15Å; L83-H91 HydrophobicContact CD1-CB 3.88Å; L83-H91 WeakPolarHBondContact CD1-O 3.33Å; L83-K92 WeakPolarHBondContact O-CE 3.49Å; L83-W95 HydrophobicContact CD1-CB 4.08Å; L83-W95 HydrophobicContact CD2-CB 3.37Å; L83-W95 HydrophobicContact CD2-CD2 3.14Å; L83-W95 HydrophobicContact CD2-CE3 3.57Å; L83-W95 HydrophobicContact CD2-CG 3.05Å; L83-W95 HydrophobicContact CD2-CZ2 4.36Å; L83-W95 HydrophobicContact CD2-CZ3 4.24Å; L83-W95 HydrophobicContact CG-CB 4.31Å; L83-W95 HydrophobicContact CG-CG 4.37Å |
| 84 | V | 61.1 | Low | 65.5 | Low | 13 Ų | 13 | 49.8 Ų | 49.8 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -51.1 | -178.2 | 167 | 0 | 0 | 0 | 0 | 111.3 | F64 A80 L81 K92 P184 I188 | F64-V84 HydrophobicContact CZ-CG2 4.09Å; A80-V84 WeakPolarHBondContact O-CB 3.43Å; A80-V84 WeakPolarHBondContact O-CG2 3.4Å; A80-V84 PolarHBondContact O-N 3.06Å; L81-V84 PolarHBondContact O-N 3.38Å; V84-K92 PolarHBondContact O-NZ 2.93Å; V84-K92 VanDerWaalsContact O-NZ 3.15Å; V84-P184 HydrophobicContact CB-CG 4.31Å; V84-P184 HydrophobicContact CG1-CB 3.82Å; V84-P184 HydrophobicContact CG1-CG 3.55Å; V84-P184 HydrophobicContact CG2-CB 4.48Å; V84-P184 HydrophobicContact CG2-CG 3.76Å; V84-I188 HydrophobicContact CG1-CD1 4.34Å |
| 85 | L | 56 | Low | 65.5 | Low | 28 Ų | 28 | 49.4 Ų | 49.4 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -81.5 | -34.3 | -171.5 | -63.5 | 168.7 | 0 | 0 | 0 | 112.8 | W23 L81 I188 | W23-L85 HydrophobicContact CH2-CD1 3.35Å; W23-L85 HydrophobicContact CZ2-CD1 3.65Å; W23-L85 HydrophobicContact CZ3-CD1 4.14Å; L81-L85 HydrophobicContact CB-CD1 4.26Å; L81-L85 HydrophobicContact CD2-CD1 4.2Å; L81-L85 WeakPolarHBondContact O-CB 3.33Å; L81-L85 WeakPolarHBondContact O-CG 3.42Å; L81-L85 PolarHBondContact O-N 3.32Å; L85-I188 HydrophobicContact CD2-CG2 4.39Å |
| 86 | R | 56.3 | Low | 65.5 | Low | 54 Ų | 54 | 44.5 Ų | 44.5 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -139.5 | 4.7 | -168.5 | -59.3 | -167 | -174.4 | -179.2 | 4.2 | 115.2 | K13 E14 E19 N82 K88 | K13-R86 PolarHBondContact O-NH1 3.33Å; E14-R86 PolarHBondContact O-NH1 2.76Å; E19-R86 IonicContact OE1-NH2 2.71Å; E19-R86 PolarHBondContact OE1-NH2 3.09Å; E19-R86 IonicContact OE2-CZ 2.76Å; E19-R86 IonicContact OE2-NH1 3.02Å; E19-R86 IonicContact OE2-NH2 3.45Å; E19-R86 PolarHBondContact OE2-NH2 3.15Å; N82-R86 CarbonylContact O-C 3.4Å; N82-R86 WeakPolarHBondContact O-CA 3.26Å; N82-R86 PolarHBondContact O-N 2.98Å; R86-K88 PolarHBondContact O-N 3.31Å |
| 87 | G | 57.1 | Low | 65.6 | Low | 13 Ų | 13 | 44.1 Ų | 44.1 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | trans | -61.7 | 132 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N82 L83 K92 | N82-G87 PolarHBondContact O-N 3.1Å; L83-G87 WeakPolarHBondContact O-CA 3.33Å; L83-G87 PolarHBondContact O-N 2.95Å; L83-G87 VanDerWaalsContact O-N 3.15Å; G87-K92 VanDerWaalsContact O-CE 3.24Å; G87-K92 WeakPolarHBondContact O-CE 3.24Å | ||
| 88 | K | 62.5 | Low | 65.7 | Low | 94 Ų | 94 | 49 Ų | 49 | 41% | 0.409 | 24% | 0.241 | S | C | . | . | trans | -52.2 | 148.8 | 165.2 | -67.1 | -175.2 | 178.6 | -172.8 | 0 | 109.4 | D12 R86 E90 H91 K92 | D12-K88 WeakPolarHBondContact OD2-CE 3.26Å; D12-K88 IonicContact OD2-NZ 3.74Å; D12-K88 PolarHBondContact OD2-NZ 2.79Å; R86-K88 PolarHBondContact O-N 3.31Å; K88-E90 PolarHBondContact O-N 2.97Å; K88-E90 VanDerWaalsContact O-N 3.11Å; K88-H91 PolarHBondContact O-N 2.78Å; K88-K92 PolarHBondContact O-N 3.41Å | ||
| 89 | L | 63.3 | Low | 66 | Low | 65 Ų | 65 | 49.3 Ų | 49.3 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -51.1 | -40.5 | -179.8 | 179.9 | 64.4 | 0 | 0 | 0 | 112 | H91 K92 L93 M175 | L89-H91 PolarHBondContact O-N 3.18Å; L89-K92 PolarHBondContact O-N 2.69Å; L89-L93 HydrophobicContact CD1-CD1 4.33Å; L89-L93 HydrophobicContact CD1-CG 4.28Å; L89-L93 HydrophobicContact CG-CD1 3.96Å; L89-L93 HydrophobicContact CG-CG 4.36Å; L89-L93 WeakPolarHBondContact O-CB 3.25Å; L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 2.9Å; L89-M175 HydrophobicContact CD1-CE 3.69Å; L89-M175 HydrophobicContact CD2-CE 3.6Å; L89-M175 HydrophobicContact CG-CE 4.3Å |
| 90 | E | 64.1 | Low | 66.4 | Low | 91 Ų | 91 | 47.2 Ų | 47.2 | 43% | 0.425 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 174.4 | -94 | 171.8 | 114.7 | 0 | 0 | 114.1 | K88 L93 K94 I165 R169 | K88-E90 PolarHBondContact O-N 2.97Å; K88-E90 VanDerWaalsContact O-N 3.11Å; E90-L93 PolarHBondContact O-N 3.1Å; E90-K94 VanDerWaalsContact O-CB 3.23Å; E90-K94 WeakPolarHBondContact O-CB 3.31Å; E90-K94 PolarHBondContact O-N 3.44Å; E90-I165 HydrophobicContact CG-CG2 4.36Å; E90-R169 IonicContact OE1-NH2 3.13Å; E90-R169 PolarHBondContact OE1-NH2 3.24Å; E90-R169 IonicContact OE2-CZ 3.9Å; E90-R169 IonicContact OE2-NH2 3.97Å; E90-R169 PolarHBondContact OE2-NH2 2.91Å |
| 91 | H | 66.4 | Low | 67 | Low | 113 Ų | 113 | 47.8 Ų | 47.8 | 52% | 0.523 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.3 | -39.9 | 178.6 | -71.6 | -164.9 | 0 | 0 | 0 | 110.4 | L83 K88 L89 K94 W95 | L83-H91 HydrophobicContact CD1-CB 3.88Å; L83-H91 WeakPolarHBondContact CD1-O 3.33Å; K88-H91 PolarHBondContact O-N 2.78Å; L89-H91 PolarHBondContact O-N 3.18Å; H91-K94 PolarHBondContact O-N 2.78Å; H91-W95 WeakPolarHBondContact O-CB 3.13Å; H91-W95 PolarHBondContact O-N 3.23Å |
| 92 | K | 67 | Low | 67.3 | Low | 71 Ų | 71 | 52.1 Ų | 52.1 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -50.8 | 173.6 | -68.2 | -174.3 | 171.8 | -169.8 | 0 | 110.6 | L83 V84 G87 K88 L89 K94 W95 T96 | L83-K92 WeakPolarHBondContact O-CE 3.49Å; V84-K92 PolarHBondContact O-NZ 2.93Å; V84-K92 VanDerWaalsContact O-NZ 3.15Å; G87-K92 VanDerWaalsContact O-CE 3.24Å; G87-K92 WeakPolarHBondContact O-CE 3.24Å; K88-K92 PolarHBondContact O-N 3.41Å; L89-K92 PolarHBondContact O-N 2.69Å; K92-K94 PolarHBondContact O-N 3.04Å; K92-W95 PolarHBondContact O-N 2.97Å; K92-T96 WeakPolarHBondContact O-CB 3.03Å; K92-T96 PolarHBondContact O-N 2.95Å; K92-T96 PolarHBondContact O-OG1 3.33Å |
| 93 | L | 67.9 | Low | 67.9 | Low | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 177.5 | -71.6 | 171.1 | 0 | 0 | 0 | 112.4 | L89 E90 W95 T96 F97 F164 I165 A168 | L89-L93 HydrophobicContact CD1-CD1 4.33Å; L89-L93 HydrophobicContact CD1-CG 4.28Å; L89-L93 HydrophobicContact CG-CD1 3.96Å; L89-L93 HydrophobicContact CG-CG 4.36Å; L89-L93 WeakPolarHBondContact O-CB 3.25Å; L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 2.9Å; E90-L93 PolarHBondContact O-N 3.1Å; L93-W95 VanDerWaalsContact C-N 3.27Å; L93-W95 PolarHBondContact O-N 3.19Å; L93-T96 PolarHBondContact O-N 3.04Å; L93-F97 WeakPolarHBondContact O-CB 3.26Å; L93-F97 PolarHBondContact O-N 2.94Å; L93-F164 HydrophobicContact CB-CE1 4.47Å; L93-F164 HydrophobicContact CD2-CE1 4.09Å; L93-I165 HydrophobicContact CB-CG1 4.2Å; L93-A168 HydrophobicContact CD1-CB 4.04Å; L93-A168 HydrophobicContact CD2-CB 3.79Å |
| 94 | K | 73.3 | Confident | 68.5 | Low | 107 Ų | 107 | 56.1 Ų | 56.1 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -31.6 | 178.2 | -176.2 | 166.8 | -171.8 | 165.3 | 0 | 113.1 | E90 H91 K92 K98 L161 | E90-K94 VanDerWaalsContact O-CB 3.23Å; E90-K94 WeakPolarHBondContact O-CB 3.31Å; E90-K94 PolarHBondContact O-N 3.44Å; H91-K94 PolarHBondContact O-N 2.78Å; K92-K94 PolarHBondContact O-N 3.04Å; K94-K98 PolarHBondContact O-N 2.87Å; K94-L161 HydrophobicContact CB-CD1 4.18Å; K94-L161 HydrophobicContact CD-CD2 4.04Å; K94-L161 HydrophobicContact CG-CD1 3.94Å; K94-L161 HydrophobicContact CG-CD2 4.05Å |
| 95 | W | 71.4 | Confident | 69.4 | Low | 45 Ų | 45 | 58.7 Ų | 58.7 | 17% | 0.17 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -80.9 | -40.3 | 174.7 | 178.9 | 82.7 | 0 | 0 | 0 | 112.5 | M60 A63 F64 L83 H91 K92 L93 F97 K98 M99 | M60-W95 HydrophobicContact CE-CH2 3.02Å; M60-W95 HydrophobicContact CE-CZ2 3.5Å; M60-W95 VanDerWaalsContact CE-CZ2 3.5Å; M60-W95 HydrophobicContact CE-CZ3 3.74Å; M60-W95 HydrophobicContact CG-CH2 4.46Å; M60-W95 HydrophobicContact SD-CH2 3.4Å; M60-W95 WeakPolarHBondContact SD-CH2 3.13Å; M60-W95 HydrophobicContact SD-CZ2 4.19Å; M60-W95 HydrophobicContact SD-CZ3 4.21Å; A63-W95 HydrophobicContact CB-CZ2 3.82Å; A63-W95 PolarHBondContact O-NE1 3.41Å; F64-W95 AromaticContact CD1-CZ2 3.59Å; F64-W95 HydrophobicContact CD1-CZ2 3.59Å; F64-W95 AromaticContact CE1-CE2 3.69Å; F64-W95 AromaticContact CE1-CH2 3.62Å; F64-W95 HydrophobicContact CE1-CH2 3.62Å; F64-W95 AromaticContact CE1-CZ2 3.03Å; F64-W95 HydrophobicContact CE1-CZ2 3.03Å; F64-W95 HydrophobicContact CE2-CH2 4.28Å; F64-W95 HydrophobicContact CE2-CZ2 4.1Å; F64-W95 HydrophobicContact CG-CZ2 4.31Å; F64-W95 AromaticContact CZ-CH2 3.46Å; F64-W95 HydrophobicContact CZ-CH2 3.46Å; F64-W95 VanDerWaalsContact CZ-CH2 3.46Å; F64-W95 AromaticContact CZ-CZ2 3.34Å; F64-W95 HydrophobicContact CZ-CZ2 3.34Å; L83-W95 HydrophobicContact CD1-CB 4.08Å; L83-W95 HydrophobicContact CD2-CB 3.37Å; L83-W95 HydrophobicContact CD2-CD2 3.14Å; L83-W95 HydrophobicContact CD2-CE3 3.57Å; L83-W95 HydrophobicContact CD2-CG 3.05Å; L83-W95 HydrophobicContact CD2-CZ2 4.36Å; L83-W95 HydrophobicContact CD2-CZ3 4.24Å; L83-W95 HydrophobicContact CG-CB 4.31Å; L83-W95 HydrophobicContact CG-CG 4.37Å; H91-W95 WeakPolarHBondContact O-CB 3.13Å; H91-W95 PolarHBondContact O-N 3.23Å; K92-W95 PolarHBondContact O-N 2.97Å; L93-W95 VanDerWaalsContact C-N 3.27Å; L93-W95 PolarHBondContact O-N 3.19Å; W95-F97 PolarHBondContact O-N 3.41Å; W95-K98 CarbonylContact O-C 3.58Å; W95-K98 WeakPolarHBondContact O-CA 3.29Å; W95-K98 WeakPolarHBondContact O-CB 3.41Å; W95-K98 PolarHBondContact O-N 2.89Å; W95-M99 PolarHBondContact O-N 3.07Å |
| 96 | T | 71.6 | Confident | 70.6 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.172 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.7 | -41.1 | 170.4 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | K92 L93 K98 M99 Y100 F164 | K92-T96 WeakPolarHBondContact O-CB 3.03Å; K92-T96 PolarHBondContact O-N 2.95Å; K92-T96 PolarHBondContact O-OG1 3.33Å; L93-T96 PolarHBondContact O-N 3.04Å; T96-K98 PolarHBondContact O-N 2.92Å; T96-M99 WeakPolarHBondContact O-CB 3.32Å; T96-M99 PolarHBondContact O-N 2.92Å; T96-Y100 HydrophobicContact CG2-CD1 4.46Å; T96-Y100 HydrophobicContact CG2-CD2 4.04Å; T96-Y100 HydrophobicContact CG2-CE1 3.79Å; T96-Y100 HydrophobicContact CG2-CE2 3.31Å; T96-Y100 VanDerWaalsContact CG2-OH 3.26Å; T96-Y100 WeakPolarHBondContact CG2-OH 3.43Å; T96-Y100 WeakPolarHBondContact O-CD1 3.44Å; T96-Y100 PolarHBondContact O-N 2.87Å; T96-Y100 VanDerWaalsContact O-N 3.07Å; T96-F164 HydrophobicContact CG2-CZ 4.21Å |
| 97 | F | 75.6 | Confident | 72 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.2 | -49.9 | 172.2 | -177 | -87.1 | 0 | 0 | 0 | 111.9 | L93 W95 M99 Y100 D101 G106 I108 L159 L161 F164 | L93-F97 WeakPolarHBondContact O-CB 3.26Å; L93-F97 PolarHBondContact O-N 2.94Å; W95-F97 PolarHBondContact O-N 3.41Å; F97-M99 PolarHBondContact O-N 3.49Å; F97-Y100 PolarHBondContact O-N 3Å; F97-D101 HydrophobicContact CE1-CB 4.44Å; F97-D101 PolarHBondContact O-N 3.34Å; F97-G106 WeakPolarHBondContact CE1-O 3.35Å; F97-G106 VanDerWaalsContact CZ-O 3.3Å; F97-G106 WeakPolarHBondContact CZ-O 3.4Å; F97-I108 HydrophobicContact CD2-CD1 3.34Å; F97-I108 HydrophobicContact CD2-CG1 3.98Å; F97-I108 HydrophobicContact CE2-CD1 3.48Å; F97-I108 VanDerWaalsContact CE2-CD1 3.48Å; F97-I108 HydrophobicContact CE2-CG1 3.65Å; F97-I108 HydrophobicContact CG-CD1 4.04Å; F97-I108 HydrophobicContact CZ-CD1 4.27Å; F97-I108 HydrophobicContact CZ-CG1 3.99Å; F97-L159 WeakPolarHBondContact CE2-O 3.19Å; F97-L161 HydrophobicContact CB-CD1 3.71Å; F97-L161 HydrophobicContact CD1-CB 4.34Å; F97-L161 HydrophobicContact CD1-CD1 3.76Å; F97-L161 HydrophobicContact CD2-CB 4.44Å; F97-L161 HydrophobicContact CD2-CD1 3.97Å; F97-L161 HydrophobicContact CE1-CB 4.13Å; F97-L161 HydrophobicContact CE1-CD1 4.4Å; F97-L161 HydrophobicContact CE2-CB 4.23Å; F97-L161 HydrophobicContact CG-CB 4.49Å; F97-L161 HydrophobicContact CG-CD1 3.52Å; F97-L161 HydrophobicContact CZ-CB 4.06Å; F97-F164 HydrophobicContact CB-CD1 4.18Å; F97-F164 HydrophobicContact CB-CE1 4.28Å; F97-F164 HydrophobicContact CD2-CB 3.71Å; F97-F164 AromaticContact CD2-CD1 3.99Å; F97-F164 HydrophobicContact CD2-CD1 3.99Å; F97-F164 HydrophobicContact CD2-CD2 4.17Å; F97-F164 AromaticContact CD2-CG 3.71Å; F97-F164 HydrophobicContact CD2-CG 3.71Å; F97-F164 HydrophobicContact CE2-CB 4.04Å; F97-F164 HydrophobicContact CE2-CG 4.42Å |
| 98 | K | 73.9 | Confident | 73.4 | Confident | 125 Ų | 125 | 57.3 Ų | 57.3 | 54% | 0.543 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -23.5 | 175.3 | -74.1 | -172.2 | 171.5 | -153.6 | 0 | 114.3 | K94 W95 T96 Y100 | K94-K98 PolarHBondContact O-N 2.87Å; W95-K98 CarbonylContact O-C 3.58Å; W95-K98 WeakPolarHBondContact O-CA 3.29Å; W95-K98 WeakPolarHBondContact O-CB 3.41Å; W95-K98 PolarHBondContact O-N 2.89Å; T96-K98 PolarHBondContact O-N 2.92Å; K98-Y100 VanDerWaalsContact C-N 3.32Å |
| 99 | M | 72.7 | Confident | 74.7 | Confident | 25 Ų | 25 | 55 Ų | 55 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75.7 | -29.1 | 173.7 | 178.4 | 72.9 | -72.3 | 0 | 0 | 111 | N59 M60 A63 W95 T96 F97 | N59-M99 VanDerWaalsContact C-SD 3.53Å; N59-M99 HydrophobicContact CB-CE 4.11Å; N59-M99 HydrophobicContact CB-SD 4.09Å; N59-M99 WeakPolarHBondContact O-CE 3.29Å; M60-M99 HydrophobicContact CE-CG 4.04Å; M60-M99 HydrophobicContact CE-SD 3.52Å; M60-M99 VanDerWaalsContact CE-SD 3.52Å; A63-M99 HydrophobicContact CB-CB 4.22Å; A63-M99 HydrophobicContact CB-CE 3.65Å; A63-M99 HydrophobicContact CB-CG 4.35Å; A63-M99 HydrophobicContact CB-SD 3.32Å; A63-M99 WeakPolarHBondContact CB-SD 3.47Å; W95-M99 PolarHBondContact O-N 3.07Å; T96-M99 WeakPolarHBondContact O-CB 3.32Å; T96-M99 PolarHBondContact O-N 2.92Å; F97-M99 PolarHBondContact O-N 3.49Å |
| 100 | Y | 76 | Confident | 75.8 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -86 | -38 | -177.1 | -61.2 | -10.3 | 0 | 0 | 0 | 111.5 | T96 F97 K98 K102 I108 I116 F164 L178 | T96-Y100 HydrophobicContact CG2-CD1 4.46Å; T96-Y100 HydrophobicContact CG2-CD2 4.04Å; T96-Y100 HydrophobicContact CG2-CE1 3.79Å; T96-Y100 HydrophobicContact CG2-CE2 3.31Å; T96-Y100 VanDerWaalsContact CG2-OH 3.26Å; T96-Y100 WeakPolarHBondContact CG2-OH 3.43Å; T96-Y100 WeakPolarHBondContact O-CD1 3.44Å; T96-Y100 PolarHBondContact O-N 2.87Å; T96-Y100 VanDerWaalsContact O-N 3.07Å; F97-Y100 PolarHBondContact O-N 3Å; K98-Y100 VanDerWaalsContact C-N 3.32Å; Y100-K102 PolarHBondContact O-N 3.47Å; Y100-I108 HydrophobicContact CD2-CD1 4.15Å; Y100-I108 HydrophobicContact CG-CD1 4.42Å; Y100-I116 HydrophobicContact CD1-CB 4.18Å; Y100-I116 HydrophobicContact CD1-CD1 3.54Å; Y100-I116 HydrophobicContact CD1-CG1 3.54Å; Y100-I116 HydrophobicContact CD1-CG2 3.61Å; Y100-I116 HydrophobicContact CD2-CG2 4.36Å; Y100-I116 HydrophobicContact CE1-CB 4.35Å; Y100-I116 HydrophobicContact CE1-CD1 4.03Å; Y100-I116 HydrophobicContact CE1-CG1 4.14Å; Y100-I116 HydrophobicContact CE1-CG2 3.32Å; Y100-I116 HydrophobicContact CE2-CG2 4.09Å; Y100-I116 HydrophobicContact CG-CD1 4.39Å; Y100-I116 HydrophobicContact CG-CG1 3.94Å; Y100-I116 HydrophobicContact CG-CG2 4.13Å; Y100-F164 AromaticContact CD2-CE2 3.95Å; Y100-F164 HydrophobicContact CD2-CE2 3.95Å; Y100-F164 AromaticContact CD2-CZ 3.92Å; Y100-F164 HydrophobicContact CD2-CZ 3.92Å; Y100-F164 HydrophobicContact CE2-CE2 4.14Å; Y100-F164 AromaticContact CE2-CZ 3.84Å; Y100-F164 HydrophobicContact CE2-CZ 3.84Å; Y100-L178 HydrophobicContact CE2-CD2 4.01Å; Y100-L178 PolarHBondContact OH-O 3Å |
| 101 | D | 79.9 | Confident | 76.8 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | trans | -69 | 91.5 | 170.4 | 176.9 | 11.4 | 0 | 0 | 0 | 110.2 | F97 D103 G104 S105 G106 I108 | F97-D101 HydrophobicContact CE1-CB 4.44Å; F97-D101 PolarHBondContact O-N 3.34Å; D101-D103 VanDerWaalsContact OD1-OD1 3.08Å; D101-G104 WeakPolarHBondContact OD1-CA 3.36Å; D101-G104 PolarHBondContact OD1-N 3.23Å; D101-S105 PolarHBondContact OD1-N 3.49Å; D101-G106 VanDerWaalsContact OD2-CA 3.3Å; D101-G106 WeakPolarHBondContact OD2-CA 3.22Å; D101-G106 PolarHBondContact OD2-N 3.05Å; D101-I108 HydrophobicContact CB-CG1 4.38Å | ||
| 102 | K | 70.4 | Confident | 77.6 | Confident | 100 Ų | 100 | 51.7 Ų | 51.7 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -81 | -33.1 | -176.8 | -80.5 | -172.7 | -179.6 | 173.2 | 0 | 111.8 | Y100 E112 E115 | Y100-K102 PolarHBondContact O-N 3.47Å; K102-E112 PolarHBondContact N-OE1 3.43Å; K102-E115 IonicContact NZ-OE1 2.8Å; K102-E115 PolarHBondContact NZ-OE1 2.78Å; K102-E115 VanDerWaalsContact NZ-OE1 3.16Å; K102-E115 IonicContact NZ-OE2 2.8Å; K102-E115 PolarHBondContact NZ-OE2 2.8Å |
| 103 | D | 76.2 | Confident | 78.4 | Confident | 108 Ų | 108 | 48.3 Ų | 48.3 | 58% | 0.578 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -86.4 | -11.1 | -178.2 | 78.4 | -5.6 | 0 | 0 | 0 | 113.2 | D101 S105 E112 | D101-D103 VanDerWaalsContact OD1-OD1 3.08Å; D103-S105 VanDerWaalsContact C-N 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.2Å; D103-S105 PolarHBondContact OD1-N 2.93Å; D103-S105 PolarHBondContact OD1-OG 2.79Å; D103-E112 PolarHBondContact N-OE1 3.07Å; D103-E112 VanDerWaalsContact N-OE1 3.15Å |
| 104 | G | 75.9 | Confident | 79.2 | Confident | 59 Ų | 59 | 49.9 Ų | 49.9 | 61% | 0.608 | 28% | 0.275 | S | S | * | . | trans | 73 | 21.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D101 G106 | D101-G104 WeakPolarHBondContact OD1-CA 3.36Å; D101-G104 PolarHBondContact OD1-N 3.23Å; G104-G106 PolarHBondContact O-N 2.83Å | ||
| 105 | S | 80.1 | Confident | 79.4 | Confident | 67 Ų | 67 | 48.8 Ų | 48.8 | 47% | 0.469 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -65.3 | -21.2 | 178.8 | 61.5 | 0 | 0 | 0 | 0 | 112.4 | D101 D103 C107 | D101-S105 PolarHBondContact OD1-N 3.49Å; D103-S105 VanDerWaalsContact C-N 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.2Å; D103-S105 PolarHBondContact OD1-N 2.93Å; D103-S105 PolarHBondContact OD1-OG 2.79Å; S105-C107 VanDerWaalsContact C-N 3.31Å; S105-C107 PolarHBondContact OG-N 2.69Å; S105-C107 PolarHBondContact OG-O 3.33Å |
| 106 | G | 81.7 | Confident | 79.6 | Confident | 36 Ų | 36 | 47.2 Ų | 47.2 | 37% | 0.371 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 85.6 | 4.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F97 D101 G104 | F97-G106 WeakPolarHBondContact CE1-O 3.35Å; F97-G106 VanDerWaalsContact CZ-O 3.3Å; F97-G106 WeakPolarHBondContact CZ-O 3.4Å; D101-G106 VanDerWaalsContact OD2-CA 3.3Å; D101-G106 WeakPolarHBondContact OD2-CA 3.22Å; D101-G106 PolarHBondContact OD2-N 3.05Å; G104-G106 PolarHBondContact O-N 2.83Å |
| 107 | C | 85.9 | Confident | 79.9 | Confident | 29 Ų | 29 | 46 Ų | 46 | 20% | 0.196 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155 | 173.8 | -60.8 | 0 | 0 | 0 | 0 | 108.6 | S105 E158 L159 | S105-C107 VanDerWaalsContact C-N 3.31Å; S105-C107 PolarHBondContact OG-N 2.69Å; S105-C107 PolarHBondContact OG-O 3.33Å; C107-E158 HydrophobicContact CB-CB 4.03Å; C107-L159 CarbonylContact C-O 3.6Å; C107-L159 WeakPolarHBondContact CA-O 3.3Å |
| 108 | I | 86.6 | Confident | 80 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.2 | 172.9 | -60.1 | 164.7 | 0 | 0 | 0 | 108.7 | F97 Y100 D101 E112 L113 L159 F164 | F97-I108 HydrophobicContact CD2-CD1 3.34Å; F97-I108 HydrophobicContact CD2-CG1 3.98Å; F97-I108 HydrophobicContact CE2-CD1 3.48Å; F97-I108 VanDerWaalsContact CE2-CD1 3.48Å; F97-I108 HydrophobicContact CE2-CG1 3.65Å; F97-I108 HydrophobicContact CG-CD1 4.04Å; F97-I108 HydrophobicContact CZ-CD1 4.27Å; F97-I108 HydrophobicContact CZ-CG1 3.99Å; Y100-I108 HydrophobicContact CD2-CD1 4.15Å; Y100-I108 HydrophobicContact CG-CD1 4.42Å; D101-I108 HydrophobicContact CB-CG1 4.38Å; I108-E112 WeakPolarHBondContact CA-OE2 3.32Å; I108-E112 HydrophobicContact CG2-CB 4.08Å; I108-L113 HydrophobicContact CG2-CB 3.98Å; I108-L113 HydrophobicContact CG2-CD1 4.43Å; I108-L159 HydrophobicContact CB-CB 4.23Å; I108-L159 PolarHBondContact N-O 3.27Å; I108-L159 PolarHBondContact O-N 3.47Å; I108-F164 HydrophobicContact CD1-CD2 3.96Å; I108-F164 HydrophobicContact CD1-CE2 4.04Å |
| 109 | D | 88.6 | Confident | 79.8 | Confident | 47 Ų | 47 | 45 Ų | 45 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 168.8 | 175.7 | 80 | 43.6 | 0 | 0 | 0 | 112.7 | T111 E112 L113 | D109-T111 VanDerWaalsContact C-N 3.26Å; D109-T111 PolarHBondContact O-N 3.11Å; D109-T111 WeakPolarHBondContact OD1-CA 3.21Å; D109-T111 WeakPolarHBondContact OD1-CB 3.3Å; D109-T111 PolarHBondContact OD1-N 3.41Å; D109-T111 PolarHBondContact OD1-OG1 3.4Å; D109-E112 PolarHBondContact N-OE2 3.01Å; D109-E112 VanDerWaalsContact N-OE2 3.09Å; D109-E112 PolarHBondContact O-N 3.22Å; D109-E112 PolarHBondContact OD1-N 3.47Å; D109-L113 WeakPolarHBondContact O-CB 3.09Å; D109-L113 PolarHBondContact O-N 3.27Å |
| 110 | K | 86.6 | Confident | 79.7 | Confident | 95 Ų | 95 | 44 Ų | 44 | 41% | 0.413 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.4 | -35.2 | 179.2 | -78.8 | -167.1 | 174.1 | -156.4 | 0 | 113.6 | L114 V144 D145 F148 | K110-L114 VanDerWaalsContact O-CB 3.24Å; K110-L114 WeakPolarHBondContact O-CB 3.3Å; K110-L114 PolarHBondContact O-N 3.01Å; K110-V144 HydrophobicContact CB-CG1 4.32Å; K110-V144 HydrophobicContact CG-CG1 4.27Å; K110-D145 IonicContact NZ-OD1 2.68Å; K110-D145 PolarHBondContact NZ-OD1 3.24Å; K110-F148 HydrophobicContact CB-CE2 4.21Å; K110-F148 HydrophobicContact CB-CZ 4.34Å; K110-F148 HydrophobicContact CG-CD1 4.3Å; K110-F148 HydrophobicContact CG-CD2 3.83Å; K110-F148 HydrophobicContact CG-CE1 4.01Å; K110-F148 HydrophobicContact CG-CE2 3.51Å; K110-F148 HydrophobicContact CG-CG 4.21Å; K110-F148 HydrophobicContact CG-CZ 3.61Å |
| 111 | T | 84.6 | Confident | 79.4 | Confident | 93 Ų | 93 | 45.4 Ų | 45.4 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -70.2 | -46.4 | -179.3 | -42 | 0 | 0 | 0 | 0 | 110.4 | D109 L114 E115 | D109-T111 VanDerWaalsContact C-N 3.26Å; D109-T111 PolarHBondContact O-N 3.11Å; D109-T111 WeakPolarHBondContact OD1-CA 3.21Å; D109-T111 WeakPolarHBondContact OD1-CB 3.3Å; D109-T111 PolarHBondContact OD1-N 3.41Å; D109-T111 PolarHBondContact OD1-OG1 3.4Å; T111-L114 WeakPolarHBondContact O-CB 2.86Å; T111-L114 PolarHBondContact O-N 3.44Å; T111-E115 PolarHBondContact O-N 2.82Å |
| 112 | E | 84.3 | Confident | 78.8 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 176.5 | -69.1 | -176.2 | 131.1 | 0 | 0 | 110.9 | K102 D103 I108 D109 L114 E115 I116 | K102-E112 PolarHBondContact N-OE1 3.43Å; D103-E112 PolarHBondContact N-OE1 3.07Å; D103-E112 VanDerWaalsContact N-OE1 3.15Å; I108-E112 WeakPolarHBondContact CA-OE2 3.32Å; I108-E112 HydrophobicContact CG2-CB 4.08Å; D109-E112 PolarHBondContact N-OE2 3.01Å; D109-E112 VanDerWaalsContact N-OE2 3.09Å; D109-E112 PolarHBondContact O-N 3.22Å; D109-E112 PolarHBondContact OD1-N 3.47Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 3.06Å; E112-E115 PolarHBondContact O-N 2.74Å; E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.47Å; E112-I116 PolarHBondContact O-N 3.43Å |
| 113 | L | 83.6 | Confident | 78.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 176.6 | -167.1 | 64 | 0 | 0 | 0 | 111.5 | I108 D109 I116 V117 V144 I147 F148 L159 L178 | I108-L113 HydrophobicContact CG2-CB 3.98Å; I108-L113 HydrophobicContact CG2-CD1 4.43Å; D109-L113 WeakPolarHBondContact O-CB 3.09Å; D109-L113 PolarHBondContact O-N 3.27Å; L113-I116 PolarHBondContact O-N 3.22Å; L113-V117 HydrophobicContact CG-CG2 4.42Å; L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 2.77Å; L113-V144 HydrophobicContact CB-CG1 4.48Å; L113-V144 HydrophobicContact CB-CG2 4.41Å; L113-V144 HydrophobicContact CD2-CG1 4.21Å; L113-V144 HydrophobicContact CD2-CG2 4.42Å; L113-V144 HydrophobicContact CG-CG2 4.19Å; L113-I147 HydrophobicContact CD2-CB 3.99Å; L113-I147 HydrophobicContact CD2-CD1 4.23Å; L113-I147 HydrophobicContact CD2-CG2 3.76Å; L113-F148 HydrophobicContact CB-CE2 4.19Å; L113-F148 HydrophobicContact CD2-CD2 3.81Å; L113-F148 HydrophobicContact CD2-CE2 3.55Å; L113-L159 HydrophobicContact CD2-CD1 4.07Å; L113-L178 HydrophobicContact CD1-CD2 4.26Å |
| 114 | L | 84.3 | Confident | 77.7 | Confident | 39 Ų | 39 | 41.2 Ų | 41.2 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.3 | -48.6 | 178.1 | -175.7 | 69.2 | 0 | 0 | 0 | 112.3 | K110 T111 E112 I116 V117 E118 P140 V144 | K110-L114 VanDerWaalsContact O-CB 3.24Å; K110-L114 WeakPolarHBondContact O-CB 3.3Å; K110-L114 PolarHBondContact O-N 3.01Å; T111-L114 WeakPolarHBondContact O-CB 2.86Å; T111-L114 PolarHBondContact O-N 3.44Å; E112-L114 VanDerWaalsContact C-N 3.31Å; E112-L114 PolarHBondContact O-N 3.06Å; L114-I116 PolarHBondContact O-N 3.48Å; L114-V117 PolarHBondContact O-N 2.77Å; L114-E118 WeakPolarHBondContact O-CB 3.37Å; L114-E118 WeakPolarHBondContact O-CG 3.32Å; L114-E118 PolarHBondContact O-N 3.2Å; L114-P140 HydrophobicContact CD1-CB 3.79Å; L114-V144 HydrophobicContact CB-CG2 3.99Å; L114-V144 HydrophobicContact CD1-CG2 3.88Å |
| 115 | E | 78.5 | Confident | 77.1 | Confident | 84 Ų | 84 | 45.8 Ų | 45.8 | 39% | 0.393 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.2 | -36.7 | 178.4 | -73.7 | -168.2 | 105.4 | 0 | 0 | 112.1 | K102 T111 E112 S119 | K102-E115 IonicContact NZ-OE1 2.8Å; K102-E115 PolarHBondContact NZ-OE1 2.78Å; K102-E115 VanDerWaalsContact NZ-OE1 3.16Å; K102-E115 IonicContact NZ-OE2 2.8Å; K102-E115 PolarHBondContact NZ-OE2 2.8Å; T111-E115 PolarHBondContact O-N 2.82Å; E112-E115 PolarHBondContact O-N 2.74Å; E115-S119 WeakPolarHBondContact O-CB 3.46Å; E115-S119 PolarHBondContact O-N 3.39Å; E115-S119 PolarHBondContact O-OG 3.29Å |
| 116 | I | 75.6 | Confident | 76 | Confident | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.7 | -50.6 | 176 | -66.8 | -61.6 | 0 | 0 | 0 | 110.8 | Y100 E112 L113 L114 E118 S119 I120 | Y100-I116 HydrophobicContact CD1-CB 4.18Å; Y100-I116 HydrophobicContact CD1-CD1 3.54Å; Y100-I116 HydrophobicContact CD1-CG1 3.54Å; Y100-I116 HydrophobicContact CD1-CG2 3.61Å; Y100-I116 HydrophobicContact CD2-CG2 4.36Å; Y100-I116 HydrophobicContact CE1-CB 4.35Å; Y100-I116 HydrophobicContact CE1-CD1 4.03Å; Y100-I116 HydrophobicContact CE1-CG1 4.14Å; Y100-I116 HydrophobicContact CE1-CG2 3.32Å; Y100-I116 HydrophobicContact CE2-CG2 4.09Å; Y100-I116 HydrophobicContact CG-CD1 4.39Å; Y100-I116 HydrophobicContact CG-CG1 3.94Å; Y100-I116 HydrophobicContact CG-CG2 4.13Å; E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.47Å; E112-I116 PolarHBondContact O-N 3.43Å; L113-I116 PolarHBondContact O-N 3.22Å; L114-I116 PolarHBondContact O-N 3.48Å; I116-E118 VanDerWaalsContact C-N 3.3Å; I116-E118 PolarHBondContact O-N 2.89Å; I116-S119 WeakPolarHBondContact O-CA 3.15Å; I116-S119 WeakPolarHBondContact O-CB 3.46Å; I116-S119 PolarHBondContact O-N 3.07Å; I116-S119 VanDerWaalsContact O-N 3.07Å; I116-I120 HydrophobicContact CG2-CD1 3.83Å; I116-I120 HydrophobicContact CG2-CG1 4.42Å; I116-I120 WeakPolarHBondContact O-CG1 3.35Å; I116-I120 PolarHBondContact O-N 3.38Å |
| 117 | V | 77.5 | Confident | 74.3 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 179.1 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | L113 L114 S119 I120 Y121 P140 V143 V144 M177 | L113-V117 HydrophobicContact CG-CG2 4.42Å; L113-V117 WeakPolarHBondContact O-CG2 3.3Å; L113-V117 PolarHBondContact O-N 2.77Å; L114-V117 PolarHBondContact O-N 2.77Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 3.06Å; V117-I120 PolarHBondContact O-N 2.87Å; V117-Y121 HydrophobicContact CG1-CD2 3.68Å; V117-Y121 HydrophobicContact CG1-CE2 3.67Å; V117-Y121 VanDerWaalsContact O-CD2 3.31Å; V117-Y121 WeakPolarHBondContact O-CD2 3.4Å; V117-Y121 PolarHBondContact O-N 3.45Å; V117-P140 HydrophobicContact CG1-CB 4.03Å; V117-V143 HydrophobicContact CG1-CB 4.03Å; V117-V143 HydrophobicContact CG1-CG1 3.92Å; V117-V143 HydrophobicContact CG2-CG1 4.12Å; V117-V144 HydrophobicContact CB-CG2 4.38Å; V117-V144 HydrophobicContact CG2-CG2 4.05Å; V117-M177 HydrophobicContact CG1-CE 4.22Å |
| 118 | E | 77.7 | Confident | 72.6 | Confident | 85 Ų | 85 | 51.9 Ų | 51.9 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 174.4 | -75 | -169.9 | 151.3 | 0 | 0 | 112.2 | L114 I116 I120 Y121 R122 P140 | L114-E118 WeakPolarHBondContact O-CB 3.37Å; L114-E118 WeakPolarHBondContact O-CG 3.32Å; L114-E118 PolarHBondContact O-N 3.2Å; I116-E118 VanDerWaalsContact C-N 3.3Å; I116-E118 PolarHBondContact O-N 2.89Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 2.89Å; E118-Y121 PolarHBondContact O-N 3.21Å; E118-R122 WeakPolarHBondContact O-CG 3.09Å; E118-R122 PolarHBondContact O-N 3.12Å; E118-P140 HydrophobicContact CG-CB 3.76Å; E118-P140 HydrophobicContact CG-CG 3.95Å |
| 119 | S | 70.1 | Confident | 70.6 | Confident | 25 Ų | 25 | 55.1 Ų | 55.1 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | E115 I116 V117 R122 L123 | E115-S119 WeakPolarHBondContact O-CB 3.46Å; E115-S119 PolarHBondContact O-N 3.39Å; E115-S119 PolarHBondContact O-OG 3.29Å; I116-S119 WeakPolarHBondContact O-CA 3.15Å; I116-S119 WeakPolarHBondContact O-CB 3.46Å; I116-S119 PolarHBondContact O-N 3.07Å; I116-S119 VanDerWaalsContact O-N 3.07Å; V117-S119 VanDerWaalsContact C-N 3.32Å; V117-S119 PolarHBondContact O-N 3.06Å; S119-R122 PolarHBondContact O-N 3.4Å; S119-L123 WeakPolarHBondContact O-CB 3.5Å; S119-L123 PolarHBondContact O-N 2.86Å |
| 120 | I | 70.4 | Confident | 68.6 | Low | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 175.9 | -66.3 | 170.4 | 0 | 0 | 0 | 110.8 | I116 V117 E118 L123 K124 M180 | I116-I120 HydrophobicContact CG2-CD1 3.83Å; I116-I120 HydrophobicContact CG2-CG1 4.42Å; I116-I120 WeakPolarHBondContact O-CG1 3.35Å; I116-I120 PolarHBondContact O-N 3.38Å; V117-I120 PolarHBondContact O-N 2.87Å; E118-I120 VanDerWaalsContact C-N 3.33Å; E118-I120 PolarHBondContact O-N 2.89Å; I120-L123 PolarHBondContact O-N 3.48Å; I120-K124 HydrophobicContact CG2-CD 4.39Å; I120-K124 HydrophobicContact CG2-CG 4.41Å; I120-K124 PolarHBondContact O-N 3.05Å; I120-M180 HydrophobicContact CD1-CG 3.89Å; I120-M180 HydrophobicContact CD1-SD 4.34Å; I120-M180 HydrophobicContact CG1-CE 4.15Å; I120-M180 HydrophobicContact CG1-CG 3.92Å; I120-M180 HydrophobicContact CG1-SD 3.98Å |
| 121 | Y | 70.1 | Confident | 66.8 | Low | 33 Ų | 33 | 57.9 Ų | 57.9 | 13% | 0.129 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 177.4 | -97.2 | -102.8 | 0 | 0 | 0 | 112 | V117 E118 L123 K125 L131 C135 L138 V143 M177 | V117-Y121 HydrophobicContact CG1-CD2 3.68Å; V117-Y121 HydrophobicContact CG1-CE2 3.67Å; V117-Y121 VanDerWaalsContact O-CD2 3.31Å; V117-Y121 WeakPolarHBondContact O-CD2 3.4Å; V117-Y121 PolarHBondContact O-N 3.45Å; E118-Y121 PolarHBondContact O-N 3.21Å; Y121-L123 VanDerWaalsContact C-N 3.32Å; Y121-L123 PolarHBondContact O-N 3.24Å; Y121-K125 VanDerWaalsContact O-CB 3.31Å; Y121-K125 WeakPolarHBondContact O-CB 3.38Å; Y121-K125 PolarHBondContact O-N 2.75Å; Y121-L131 HydrophobicContact CD1-CD1 4.47Å; Y121-C135 WeakPolarHBondContact CE1-O 3.38Å; Y121-C135 VanDerWaalsContact CZ-O 3.26Å; Y121-C135 PolarHBondContact OH-O 3.15Å; Y121-L138 PolarHBondContact OH-O 2.86Å; Y121-V143 HydrophobicContact CE2-CG2 4.14Å; Y121-V143 WeakPolarHBondContact OH-CG2 3.31Å; Y121-M177 HydrophobicContact CD2-CE 3.98Å; Y121-M177 HydrophobicContact CE2-CE 3.31Å |
| 122 | R | 67.1 | Low | 65.3 | Low | 95 Ų | 95 | 57.7 Ų | 57.7 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 174.7 | -67.4 | -170.7 | -35.4 | -141.8 | 11.1 | 111.1 | D55 E118 S119 K125 A126 | D55-R122 IonicContact OD2-NH2 3.54Å; E118-R122 WeakPolarHBondContact O-CG 3.09Å; E118-R122 PolarHBondContact O-N 3.12Å; S119-R122 PolarHBondContact O-N 3.4Å; R122-K125 WeakPolarHBondContact O-CB 3.31Å; R122-K125 PolarHBondContact O-N 3.05Å; R122-A126 WeakPolarHBondContact O-CB 3.39Å; R122-A126 PolarHBondContact O-N 3.47Å |
| 123 | L | 61.3 | Low | 63.6 | Low | 18 Ų | 18 | 65.3 Ų | 65.3 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -45.9 | -178.2 | -162.7 | 104.3 | 0 | 0 | 0 | 112.4 | Y56 S119 I120 Y121 K125 A126 C127 M180 V182 | Y56-L123 HydrophobicContact CD1-CD1 4.29Å; Y56-L123 HydrophobicContact CG-CD1 4.12Å; S119-L123 WeakPolarHBondContact O-CB 3.5Å; S119-L123 PolarHBondContact O-N 2.86Å; I120-L123 PolarHBondContact O-N 3.48Å; Y121-L123 VanDerWaalsContact C-N 3.32Å; Y121-L123 PolarHBondContact O-N 3.24Å; L123-K125 VanDerWaalsContact C-N 3.29Å; L123-K125 PolarHBondContact O-N 2.98Å; L123-A126 PolarHBondContact O-N 3.47Å; L123-A126 VanDerWaalsContact O-N 3.12Å; L123-C127 WeakPolarHBondContact O-CB 3.47Å; L123-C127 PolarHBondContact O-N 2.96Å; L123-M180 HydrophobicContact CD2-CE 3.95Å; L123-V182 HydrophobicContact CD2-CG2 3.25Å |
| 124 | K | 62.2 | Low | 62 | Low | 28 Ų | 28 | 71.2 Ų | 71.2 | 12% | 0.122 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 176.2 | -74.6 | -169.3 | 174.6 | -170.4 | 0 | 111.6 | I120 A126 H128 L131 | I120-K124 HydrophobicContact CG2-CD 4.39Å; I120-K124 HydrophobicContact CG2-CG 4.41Å; I120-K124 PolarHBondContact O-N 3.05Å; K124-A126 VanDerWaalsContact C-N 3.32Å; K124-A126 PolarHBondContact O-N 3.26Å; K124-H128 PolarHBondContact O-N 2.94Å; K124-L131 HydrophobicContact CB-CD2 3.35Å; K124-L131 HydrophobicContact CD-CD2 4.15Å; K124-L131 HydrophobicContact CG-CD2 4.37Å |
| 125 | K | 63.3 | Low | 60.4 | Low | 154 Ų | 154 | 70 Ų | 70 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | 173.7 | -170.7 | 178.8 | -178.7 | 179.8 | 0 | 112.2 | Y121 R122 L123 | Y121-K125 VanDerWaalsContact O-CB 3.31Å; Y121-K125 WeakPolarHBondContact O-CB 3.38Å; Y121-K125 PolarHBondContact O-N 2.75Å; R122-K125 WeakPolarHBondContact O-CB 3.31Å; R122-K125 PolarHBondContact O-N 3.05Å; L123-K125 VanDerWaalsContact C-N 3.29Å; L123-K125 PolarHBondContact O-N 2.98Å |
| 126 | A | 55.2 | Low | 59.1 | Low | 46 Ų | 46 | 71.4 Ų | 71.4 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76.9 | -36.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | R122 L123 K124 | R122-A126 WeakPolarHBondContact O-CB 3.39Å; R122-A126 PolarHBondContact O-N 3.47Å; L123-A126 PolarHBondContact O-N 3.47Å; L123-A126 VanDerWaalsContact O-N 3.12Å; K124-A126 VanDerWaalsContact C-N 3.32Å; K124-A126 PolarHBondContact O-N 3.26Å |
| 127 | C | 47.3 | Very low | 58.1 | Low | 77 Ų | 77 | 77.5 Ų | 77.5 | 52% | 0.52 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -88.1 | -37.5 | -174.3 | -75.3 | 0 | 0 | 0 | 0 | 114.5 | L123 | L123-C127 WeakPolarHBondContact O-CB 3.47Å; L123-C127 PolarHBondContact O-N 2.96Å |
| 128 | H | 50.4 | Low | 57.4 | Low | 137 Ų | 137 | 79.4 Ų | 79.4 | 63% | 0.634 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -107.3 | -12.6 | -171.1 | -78.5 | -79.2 | 0 | 0 | 0 | 114.5 | K124 E130 | K124-H128 PolarHBondContact O-N 2.94Å; H128-E130 PolarHBondContact O-N 3.32Å |
| 129 | G | 44.6 | Very low | 57.4 | Low | 68 Ų | 68 | 78.8 Ų | 78.8 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 66.4 | -24.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 130 | E | 45.3 | Very low | 57.8 | Low | 170 Ų | 170 | 79 Ų | 79 | 79% | 0.794 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -133.8 | 119.1 | 177.3 | -54.8 | -167 | 113.7 | 0 | 0 | 108.2 | H128 | H128-E130 PolarHBondContact O-N 3.32Š|
| 131 | L | 49.6 | Very low | 58.4 | Low | 30 Ų | 30 | 83 Ų | 83 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | trans | -73.8 | 142.5 | 168.5 | -71.3 | 162.8 | 0 | 0 | 0 | 108 | Y121 K124 E133 C135 N136 | Y121-L131 HydrophobicContact CD1-CD1 4.47Å; K124-L131 HydrophobicContact CB-CD2 3.35Å; K124-L131 HydrophobicContact CD-CD2 4.15Å; K124-L131 HydrophobicContact CG-CD2 4.37Å; L131-E133 PolarHBondContact O-N 2.95Å; L131-C135 HydrophobicContact CD2-CB 4.49Å; L131-N136 HydrophobicContact CB-CB 4.14Å; L131-N136 VanDerWaalsContact CD1-OD1 3.31Å; L131-N136 WeakPolarHBondContact CD1-OD1 3.46Å | ||
| 132 | D | 52.5 | Low | 59.1 | Low | 90 Ų | 90 | 86 Ų | 86 | 48% | 0.481 | 45% | 0.453 | S | S | . | . | trans | -46.3 | 133.4 | 163.1 | -91.4 | -39 | 0 | 0 | 0 | 108.2 | E134 C135 N136 K176 | D132-E134 PolarHBondContact O-N 3.47Å; D132-C135 PolarHBondContact O-N 2.76Å; D132-N136 PolarHBondContact O-N 3.3Å; D132-N136 VanDerWaalsContact O-N 3.12Å; D132-K176 IonicContact OD2-NZ 2.74Å; D132-K176 PolarHBondContact OD2-NZ 3.3Å | ||
| 133 | E | 49.7 | Very low | 59.8 | Low | 170 Ų | 170 | 81.5 Ų | 81.5 | 79% | 0.794 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -49.4 | -31.5 | -176.4 | -78.7 | 179.7 | 153.7 | 0 | 0 | 112.3 | L131 N136 L137 | L131-E133 PolarHBondContact O-N 2.95Å; E133-N136 PolarHBondContact O-N 2.88Å; E133-L137 WeakPolarHBondContact O-CD1 3.38Å; E133-L137 VanDerWaalsContact O-CG 3.28Å; E133-L137 WeakPolarHBondContact O-CG 3.45Å; E133-L137 PolarHBondContact O-N 3.45Å |
| 134 | E | 48.8 | Very low | 61 | Low | 124 Ų | 124 | 80.9 Ų | 80.9 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -74.1 | -33 | 180 | -145.2 | 167.9 | 130.2 | 0 | 0 | 114 | D132 | D132-E134 PolarHBondContact O-N 3.47Å |
| 135 | C | 50.6 | Low | 62.2 | Low | 15 Ų | 15 | 83 Ų | 83 | 10% | 0.101 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -75 | -30.9 | 170.5 | -72.9 | 0 | 0 | 0 | 0 | 111 | Y121 L131 D132 L137 | Y121-C135 WeakPolarHBondContact CE1-O 3.38Å; Y121-C135 VanDerWaalsContact CZ-O 3.26Å; Y121-C135 PolarHBondContact OH-O 3.15Å; L131-C135 HydrophobicContact CD2-CB 4.49Å; D132-C135 PolarHBondContact O-N 2.76Å; C135-L137 PolarHBondContact O-N 3.44Å |
| 136 | N | 52.3 | Low | 63.3 | Low | 113 Ų | 113 | 80.7 Ų | 80.7 | 60% | 0.604 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -74.1 | -13.2 | -178.2 | -135.5 | 9.7 | 0 | 0 | 0 | 113.4 | L131 D132 E133 | L131-N136 HydrophobicContact CB-CB 4.14Å; L131-N136 VanDerWaalsContact CD1-OD1 3.31Å; L131-N136 WeakPolarHBondContact CD1-OD1 3.46Å; D132-N136 PolarHBondContact O-N 3.3Å; D132-N136 VanDerWaalsContact O-N 3.12Å; E133-N136 PolarHBondContact O-N 2.88Å |
| 137 | L | 54 | Low | 64.7 | Low | 140 Ų | 140 | 78.5 Ų | 78.5 | 73% | 0.733 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -20.1 | -175.7 | -80.3 | 163.6 | 0 | 0 | 0 | 114.8 | E133 C135 | E133-L137 WeakPolarHBondContact O-CD1 3.38Å; E133-L137 VanDerWaalsContact O-CG 3.28Å; E133-L137 WeakPolarHBondContact O-CG 3.45Å; E133-L137 PolarHBondContact O-N 3.45Å; C135-L137 PolarHBondContact O-N 3.44Å |
| 138 | L | 63.7 | Low | 66.7 | Low | 43 Ų | 43 | 75.2 Ų | 75.2 | 23% | 0.225 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -111 | 138.4 | -176.3 | -64.2 | 168.8 | 0 | 0 | 0 | 110.6 | Y121 Q142 V143 W173 | Y121-L138 PolarHBondContact OH-O 2.86Å; L138-Q142 HydrophobicContact CB-CB 4.32Å; L138-Q142 HydrophobicContact CD2-CB 4.1Å; L138-V143 HydrophobicContact CB-CG2 3.68Å; L138-V143 HydrophobicContact CD1-CG2 4.24Å; L138-W173 HydrophobicContact CD1-CZ2 4.13Å |
| 139 | T | 78 | Confident | 68.4 | Low | 72 Ų | 72 | 76.6 Ų | 76.6 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | trans | -73.6 | 155.7 | 169 | 56.7 | 0 | 0 | 0 | 0 | 110.1 | D141 Q142 V143 | T139-D141 PolarHBondContact O-N 3.44Å; T139-Q142 WeakPolarHBondContact O-CB 3.39Å; T139-Q142 PolarHBondContact O-N 2.87Å; T139-Q142 VanDerWaalsContact OG1-CG 3.25Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.46Å; T139-Q142 PolarHBondContact OG1-N 3.26Å; T139-V143 PolarHBondContact O-N 3.07Å | ||
| 140 | P | 77.5 | Confident | 70.3 | Confident | 29 Ų | 29 | 76.6 Ų | 76.6 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -49.5 | -44.9 | 175.7 | -28.4 | 35.6 | 0 | 0 | 0 | 112.8 | L114 V117 E118 Q142 V143 V144 | L114-P140 HydrophobicContact CD1-CB 3.79Å; V117-P140 HydrophobicContact CG1-CB 4.03Å; E118-P140 HydrophobicContact CG-CB 3.76Å; E118-P140 HydrophobicContact CG-CG 3.95Å; P140-Q142 PolarHBondContact O-N 2.94Å; P140-V143 WeakPolarHBondContact O-CB 3.29Å; P140-V143 PolarHBondContact O-N 2.86Å; P140-V144 WeakPolarHBondContact O-CG2 3.41Å; P140-V144 PolarHBondContact O-N 3.49Å |
| 141 | D | 83.2 | Confident | 72.2 | Confident | 92 Ų | 92 | 68.6 Ų | 68.6 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.3 | -45 | 173.1 | -73.5 | -104.3 | 0 | 0 | 0 | 113.6 | T139 V143 V144 D145 | T139-D141 PolarHBondContact O-N 3.44Å; D141-V143 VanDerWaalsContact C-N 3.29Å; D141-V143 PolarHBondContact O-N 3.23Å; D141-V144 PolarHBondContact O-N 3.15Å; D141-D145 WeakPolarHBondContact O-CB 3.31Å; D141-D145 PolarHBondContact O-N 3.18Å |
| 142 | Q | 84.3 | Confident | 74.1 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 44% | 0.444 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.9 | -32.3 | -180 | -74 | 173.5 | -7.4 | 0 | 0 | 112.2 | L138 T139 P140 R146 | L138-Q142 HydrophobicContact CB-CB 4.32Å; L138-Q142 HydrophobicContact CD2-CB 4.1Å; T139-Q142 WeakPolarHBondContact O-CB 3.39Å; T139-Q142 PolarHBondContact O-N 2.87Å; T139-Q142 VanDerWaalsContact OG1-CG 3.25Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.46Å; T139-Q142 PolarHBondContact OG1-N 3.26Å; P140-Q142 PolarHBondContact O-N 2.94Å; Q142-R146 WeakPolarHBondContact O-CB 3.38Å; Q142-R146 PolarHBondContact O-N 3.25Å |
| 143 | V | 83.2 | Confident | 75.6 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 173.4 | 173 | 0 | 0 | 0 | 0 | 110 | V117 Y121 L138 T139 P140 D141 R146 I147 W173 M177 | V117-V143 HydrophobicContact CG1-CB 4.03Å; V117-V143 HydrophobicContact CG1-CG1 3.92Å; V117-V143 HydrophobicContact CG2-CG1 4.12Å; Y121-V143 HydrophobicContact CE2-CG2 4.14Å; Y121-V143 WeakPolarHBondContact OH-CG2 3.31Å; L138-V143 HydrophobicContact CB-CG2 3.68Å; L138-V143 HydrophobicContact CD1-CG2 4.24Å; T139-V143 PolarHBondContact O-N 3.07Å; P140-V143 WeakPolarHBondContact O-CB 3.29Å; P140-V143 PolarHBondContact O-N 2.86Å; D141-V143 VanDerWaalsContact C-N 3.29Å; D141-V143 PolarHBondContact O-N 3.23Å; V143-R146 PolarHBondContact O-N 2.99Å; V143-I147 HydrophobicContact CG1-CD1 3.75Å; V143-I147 HydrophobicContact CG1-CG1 4.35Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.39Å; V143-I147 PolarHBondContact O-N 3.37Å; V143-W173 HydrophobicContact CG1-CH2 4.02Å; V143-W173 HydrophobicContact CG1-CZ2 4.45Å; V143-M177 HydrophobicContact CG1-CE 3.8Å; V143-M177 HydrophobicContact CG1-CG 3.85Å; V143-M177 HydrophobicContact CG2-CE 4.26Å |
| 144 | V | 86 | Confident | 77.3 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.03 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.2 | -52.5 | 176.7 | 169 | 0 | 0 | 0 | 0 | 110.3 | K110 L113 L114 V117 P140 D141 R146 I147 F148 | K110-V144 HydrophobicContact CB-CG1 4.32Å; K110-V144 HydrophobicContact CG-CG1 4.27Å; L113-V144 HydrophobicContact CB-CG1 4.48Å; L113-V144 HydrophobicContact CB-CG2 4.41Å; L113-V144 HydrophobicContact CD2-CG1 4.21Å; L113-V144 HydrophobicContact CD2-CG2 4.42Å; L113-V144 HydrophobicContact CG-CG2 4.19Å; L114-V144 HydrophobicContact CB-CG2 3.99Å; L114-V144 HydrophobicContact CD1-CG2 3.88Å; V117-V144 HydrophobicContact CB-CG2 4.38Å; V117-V144 HydrophobicContact CG2-CG2 4.05Å; P140-V144 WeakPolarHBondContact O-CG2 3.41Å; P140-V144 PolarHBondContact O-N 3.49Å; D141-V144 PolarHBondContact O-N 3.15Å; V144-R146 VanDerWaalsContact C-N 3.27Å; V144-R146 PolarHBondContact O-N 3.06Å; V144-I147 PolarHBondContact O-N 3.42Å; V144-I147 VanDerWaalsContact O-N 3.09Å; V144-F148 HydrophobicContact CG1-CD2 3.92Å; V144-F148 HydrophobicContact CG1-CE2 4.09Å; V144-F148 WeakPolarHBondContact O-CD2 3.33Å; V144-F148 PolarHBondContact O-N 3.39Å |
| 145 | D | 87.1 | Confident | 79 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 179.5 | -79.5 | -27.3 | 0 | 0 | 0 | 111.6 | K110 D141 F148 E149 | K110-D145 IonicContact NZ-OD1 2.68Å; K110-D145 PolarHBondContact NZ-OD1 3.24Å; D141-D145 WeakPolarHBondContact O-CB 3.31Å; D141-D145 PolarHBondContact O-N 3.18Å; D145-F148 PolarHBondContact O-N 3.07Å; D145-E149 WeakPolarHBondContact O-CG 3.16Å; D145-E149 PolarHBondContact O-N 3.37Å |
| 146 | R | 85.9 | Confident | 80.7 | Confident | 105 Ų | 105 | 66 Ų | 66 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 176.7 | -172.9 | 171.9 | -175.4 | -178.5 | -1.5 | 113.1 | Q142 V143 V144 L150 W173 | Q142-R146 WeakPolarHBondContact O-CB 3.38Å; Q142-R146 PolarHBondContact O-N 3.25Å; V143-R146 PolarHBondContact O-N 2.99Å; V144-R146 VanDerWaalsContact C-N 3.27Å; V144-R146 PolarHBondContact O-N 3.06Å; R146-L150 HydrophobicContact CG-CD1 3.97Å; R146-L150 WeakPolarHBondContact O-CB 3.34Å; R146-L150 WeakPolarHBondContact O-CD1 3.48Å; R146-L150 WeakPolarHBondContact O-CG 3.11Å; R146-L150 PolarHBondContact O-N 3.15Å; R146-W173 HydrophobicContact CB-CH2 4.17Å; R146-W173 HydrophobicContact CB-CZ3 4.4Å; R146-W173 HydrophobicContact CG-CH2 4Å; R146-W173 HydrophobicContact CG-CZ3 3.93Å |
| 147 | I | 85.5 | Confident | 82.2 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66 | -46.5 | 174.8 | -69.1 | 167.3 | 0 | 0 | 0 | 109.2 | L113 V143 V144 E149 L150 V151 L159 W173 M177 L178 | L113-I147 HydrophobicContact CD2-CB 3.99Å; L113-I147 HydrophobicContact CD2-CD1 4.23Å; L113-I147 HydrophobicContact CD2-CG2 3.76Å; V143-I147 HydrophobicContact CG1-CD1 3.75Å; V143-I147 HydrophobicContact CG1-CG1 4.35Å; V143-I147 VanDerWaalsContact O-CG1 3.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.39Å; V143-I147 PolarHBondContact O-N 3.37Å; V144-I147 PolarHBondContact O-N 3.42Å; V144-I147 VanDerWaalsContact O-N 3.09Å; I147-E149 PolarHBondContact O-N 2.8Å; I147-L150 PolarHBondContact O-N 2.86Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-V151 HydrophobicContact CG2-CB 4.41Å; I147-V151 HydrophobicContact CG2-CG2 3.87Å; I147-V151 VanDerWaalsContact O-CB 3.23Å; I147-V151 WeakPolarHBondContact O-CB 3.17Å; I147-V151 WeakPolarHBondContact O-CG2 3.1Å; I147-V151 PolarHBondContact O-N 3.28Å; I147-L159 HydrophobicContact CG2-CD1 4.12Å; I147-W173 HydrophobicContact CG1-CH2 4.22Å; I147-W173 HydrophobicContact CG1-CZ3 3.89Å; I147-M177 HydrophobicContact CD1-CG 4.49Å; I147-L178 HydrophobicContact CD1-CD2 4.23Å |
| 148 | F | 87.6 | Confident | 83.8 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.035 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.3 | -48.9 | 175.9 | -90 | -92.6 | 0 | 0 | 0 | 111.2 | K110 L113 V144 D145 L150 V151 D152 G157 L159 | K110-F148 HydrophobicContact CB-CE2 4.21Å; K110-F148 HydrophobicContact CB-CZ 4.34Å; K110-F148 HydrophobicContact CG-CD1 4.3Å; K110-F148 HydrophobicContact CG-CD2 3.83Å; K110-F148 HydrophobicContact CG-CE1 4.01Å; K110-F148 HydrophobicContact CG-CE2 3.51Å; K110-F148 HydrophobicContact CG-CG 4.21Å; K110-F148 HydrophobicContact CG-CZ 3.61Å; L113-F148 HydrophobicContact CB-CE2 4.19Å; L113-F148 HydrophobicContact CD2-CD2 3.81Å; L113-F148 HydrophobicContact CD2-CE2 3.55Å; V144-F148 HydrophobicContact CG1-CD2 3.92Å; V144-F148 HydrophobicContact CG1-CE2 4.09Å; V144-F148 WeakPolarHBondContact O-CD2 3.33Å; V144-F148 PolarHBondContact O-N 3.39Å; D145-F148 PolarHBondContact O-N 3.07Å; F148-L150 PolarHBondContact O-N 3.32Å; F148-L150 VanDerWaalsContact O-N 3.08Å; F148-V151 PolarHBondContact O-N 3.32Å; F148-D152 HydrophobicContact CD1-CB 4.12Å; F148-D152 WeakPolarHBondContact O-CA 3.4Å; F148-D152 WeakPolarHBondContact O-CB 3.48Å; F148-D152 PolarHBondContact O-N 3.16Å; F148-G157 VanDerWaalsContact CE1-C 3.48Å; F148-G157 VanDerWaalsContact CE1-O 3.26Å; F148-G157 WeakPolarHBondContact CE1-O 3.4Å; F148-L159 HydrophobicContact CD1-CD2 4.1Å; F148-L159 HydrophobicContact CD1-CG 4.19Å; F148-L159 HydrophobicContact CD2-CD1 4.4Å; F148-L159 HydrophobicContact CE1-CD1 4.42Å; F148-L159 HydrophobicContact CE1-CD2 4.09Å; F148-L159 HydrophobicContact CE1-CG 3.73Å; F148-L159 HydrophobicContact CE2-CD1 4.07Å; F148-L159 HydrophobicContact CE2-CG 4.24Å; F148-L159 HydrophobicContact CZ-CD1 4.09Å; F148-L159 HydrophobicContact CZ-CG 3.78Å |
| 149 | E | 86.7 | Confident | 85 | Confident | 165 Ų | 165 | 57.7 Ų | 57.7 | 77% | 0.771 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.1 | -26.5 | 178 | -75.8 | -176.7 | 170.1 | 0 | 0 | 114.7 | D145 I147 | D145-E149 WeakPolarHBondContact O-CG 3.16Å; D145-E149 PolarHBondContact O-N 3.37Å; I147-E149 PolarHBondContact O-N 2.8Å |
| 150 | L | 84.9 | Confident | 85.5 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 36% | 0.361 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -95.8 | -26.9 | -177.1 | -70.4 | 173.2 | 0 | 0 | 0 | 113.8 | R146 I147 F148 W173 V174 | R146-L150 HydrophobicContact CG-CD1 3.97Å; R146-L150 WeakPolarHBondContact O-CB 3.34Å; R146-L150 WeakPolarHBondContact O-CD1 3.48Å; R146-L150 WeakPolarHBondContact O-CG 3.11Å; R146-L150 PolarHBondContact O-N 3.15Å; I147-L150 PolarHBondContact O-N 2.86Å; I147-L150 VanDerWaalsContact O-N 3.15Å; F148-L150 PolarHBondContact O-N 3.32Å; F148-L150 VanDerWaalsContact O-N 3.08Å; L150-W173 HydrophobicContact CD1-CE3 4.24Å; L150-W173 HydrophobicContact CD1-CZ3 4.32Å; L150-V174 HydrophobicContact CB-CG2 4.23Å; L150-V174 HydrophobicContact CD1-CG2 3.89Å |
| 151 | V | 86.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -111.3 | -35.3 | -169.2 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | I147 F148 E153 L159 E163 V174 | I147-V151 HydrophobicContact CG2-CB 4.41Å; I147-V151 HydrophobicContact CG2-CG2 3.87Å; I147-V151 VanDerWaalsContact O-CB 3.23Å; I147-V151 WeakPolarHBondContact O-CB 3.17Å; I147-V151 WeakPolarHBondContact O-CG2 3.1Å; I147-V151 PolarHBondContact O-N 3.28Å; F148-V151 PolarHBondContact O-N 3.32Å; V151-E153 PolarHBondContact O-N 2.67Å; V151-L159 HydrophobicContact CB-CD2 3.93Å; V151-L159 HydrophobicContact CG1-CD1 4.44Å; V151-L159 HydrophobicContact CG1-CD2 3.8Å; V151-E163 HydrophobicContact CG1-CB 4.36Å; V151-E163 WeakPolarHBondContact CG1-O 3.38Å; V151-V174 HydrophobicContact CG2-CG1 3.77Å; V151-V174 HydrophobicContact CG2-CG2 4.21Å |
| 152 | D | 87.8 | Confident | 85.9 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | trans | -75.3 | 89.2 | 176.9 | -175.2 | 0.8 | 0 | 0 | 0 | 109.8 | F148 N154 G155 D156 G157 L159 | F148-D152 HydrophobicContact CD1-CB 4.12Å; F148-D152 WeakPolarHBondContact O-CA 3.4Å; F148-D152 WeakPolarHBondContact O-CB 3.48Å; F148-D152 PolarHBondContact O-N 3.16Å; D152-N154 PolarHBondContact OD1-N 2.85Å; D152-N154 PolarHBondContact OD1-OD1 3.29Å; D152-G155 VanDerWaalsContact OD1-CA 3.29Å; D152-G155 WeakPolarHBondContact OD1-CA 3.33Å; D152-G155 PolarHBondContact OD1-N 2.86Å; D152-G155 WeakPolarHBondContact OD2-CA 3.45Å; D152-D156 PolarHBondContact OD1-N 3.34Å; D152-G157 PolarHBondContact OD2-N 3.5Å; D152-L159 HydrophobicContact CB-CD2 3.82Å | ||
| 153 | E | 84.3 | Confident | 86.1 | Confident | 121 Ų | 121 | 54.7 Ų | 54.7 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -75.3 | -29.8 | 179.4 | -69.2 | -162.3 | 153.7 | 0 | 0 | 112.6 | V151 R170 | V151-E153 PolarHBondContact O-N 2.67Å; E153-R170 IonicContact OE1-CZ 3.51Å; E153-R170 IonicContact OE1-NH1 3.73Å; E153-R170 PolarHBondContact OE1-NH1 3.5Å; E153-R170 IonicContact OE1-NH2 2.87Å; E153-R170 PolarHBondContact OE1-NH2 3.44Å |
| 154 | N | 85.9 | Confident | 86.1 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -90.5 | -17.1 | -173.7 | 76.1 | 25.2 | 0 | 0 | 0 | 112.4 | D152 D156 E163 | D152-N154 PolarHBondContact OD1-N 2.85Å; D152-N154 PolarHBondContact OD1-OD1 3.29Å; N154-D156 VanDerWaalsContact C-N 3.34Å; N154-D156 VanDerWaalsContact CG-CG 3.49Å; N154-D156 PolarHBondContact ND2-OD2 2.91Å; N154-D156 WeakPolarHBondContact OD1-CB 3.45Å; N154-D156 PolarHBondContact OD1-N 3.45Å; N154-D156 PolarHBondContact OD1-OD1 3.5Å; N154-D156 PolarHBondContact OD1-OD2 2.97Å; N154-E163 PolarHBondContact ND2-OE1 3.29Å |
| 155 | G | 84 | Confident | 85.9 | Confident | 60 Ų | 60 | 55.4 Ų | 55.4 | 62% | 0.619 | 30% | 0.298 | S | S | * | . | trans | 70 | 24.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | D152 G157 | D152-G155 VanDerWaalsContact OD1-CA 3.29Å; D152-G155 WeakPolarHBondContact OD1-CA 3.33Å; D152-G155 PolarHBondContact OD1-N 2.86Å; D152-G155 WeakPolarHBondContact OD2-CA 3.45Å; G155-G157 VanDerWaalsContact C-N 3.29Å | ||
| 156 | D | 86 | Confident | 85.9 | Confident | 81 Ų | 81 | 55.1 Ų | 55.1 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -81.1 | -10.8 | -179.9 | 68.6 | 9.8 | 0 | 0 | 0 | 112.8 | D152 N154 E158 | D152-D156 PolarHBondContact OD1-N 3.34Å; N154-D156 VanDerWaalsContact C-N 3.34Å; N154-D156 VanDerWaalsContact CG-CG 3.49Å; N154-D156 PolarHBondContact ND2-OD2 2.91Å; N154-D156 WeakPolarHBondContact OD1-CB 3.45Å; N154-D156 PolarHBondContact OD1-N 3.45Å; N154-D156 PolarHBondContact OD1-OD1 3.5Å; N154-D156 PolarHBondContact OD1-OD2 2.97Å; D156-E158 VanDerWaalsContact C-N 3.32Å; D156-E158 WeakPolarHBondContact OD1-CA 3.26Å; D156-E158 PolarHBondContact OD1-N 3.36Å |
| 157 | G | 84.2 | Confident | 85.8 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 79 | 14.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F148 D152 G155 | F148-G157 VanDerWaalsContact CE1-C 3.48Å; F148-G157 VanDerWaalsContact CE1-O 3.26Å; F148-G157 WeakPolarHBondContact CE1-O 3.4Å; D152-G157 PolarHBondContact OD2-N 3.5Å; G155-G157 VanDerWaalsContact C-N 3.29Å |
| 158 | E | 88.5 | Confident | 85.6 | Confident | 91 Ų | 91 | 50.4 Ų | 50.4 | 43% | 0.425 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.5 | 176.7 | -62.5 | -172.2 | 140.9 | 0 | 0 | 109.8 | C107 D156 S160 | C107-E158 HydrophobicContact CB-CB 4.03Å; D156-E158 VanDerWaalsContact C-N 3.32Å; D156-E158 WeakPolarHBondContact OD1-CA 3.26Å; D156-E158 PolarHBondContact OD1-N 3.36Å; E158-S160 PolarHBondContact O-N 2.95Å |
| 159 | L | 87.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 111.9 | 178.5 | -62.1 | 177.2 | 0 | 0 | 0 | 110.5 | F97 C107 I108 L113 I147 F148 V151 D152 | F97-L159 WeakPolarHBondContact CE2-O 3.19Å; C107-L159 CarbonylContact C-O 3.6Å; C107-L159 WeakPolarHBondContact CA-O 3.3Å; I108-L159 HydrophobicContact CB-CB 4.23Å; I108-L159 PolarHBondContact N-O 3.27Å; I108-L159 PolarHBondContact O-N 3.47Å; L113-L159 HydrophobicContact CD2-CD1 4.07Å; I147-L159 HydrophobicContact CG2-CD1 4.12Å; F148-L159 HydrophobicContact CD1-CD2 4.1Å; F148-L159 HydrophobicContact CD1-CG 4.19Å; F148-L159 HydrophobicContact CD2-CD1 4.4Å; F148-L159 HydrophobicContact CE1-CD1 4.42Å; F148-L159 HydrophobicContact CE1-CD2 4.09Å; F148-L159 HydrophobicContact CE1-CG 3.73Å; F148-L159 HydrophobicContact CE2-CD1 4.07Å; F148-L159 HydrophobicContact CE2-CG 4.24Å; F148-L159 HydrophobicContact CZ-CD1 4.09Å; F148-L159 HydrophobicContact CZ-CG 3.78Å; V151-L159 HydrophobicContact CB-CD2 3.93Å; V151-L159 HydrophobicContact CG1-CD1 4.44Å; V151-L159 HydrophobicContact CG1-CD2 3.8Å; D152-L159 HydrophobicContact CB-CD2 3.82Å |
| 160 | S | 89 | Confident | 85 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 158.3 | 172.1 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | E158 D162 E163 F164 | E158-S160 PolarHBondContact O-N 2.95Å; S160-D162 VanDerWaalsContact C-N 3.28Å; S160-D162 PolarHBondContact O-N 2.92Å; S160-E163 WeakPolarHBondContact CB-OE2 3.36Å; S160-E163 PolarHBondContact N-OE2 3.12Å; S160-E163 PolarHBondContact O-N 2.9Å; S160-E163 PolarHBondContact OG-OE2 3.48Å; S160-F164 WeakPolarHBondContact O-CB 3.47Å; S160-F164 PolarHBondContact O-N 2.84Å |
| 161 | L | 83.8 | Confident | 84.8 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.5 | -42.8 | 176 | 177.5 | 68.1 | 0 | 0 | 0 | 112.7 | K94 F97 F164 I165 | K94-L161 HydrophobicContact CB-CD1 4.18Å; K94-L161 HydrophobicContact CD-CD2 4.04Å; K94-L161 HydrophobicContact CG-CD1 3.94Å; K94-L161 HydrophobicContact CG-CD2 4.05Å; F97-L161 HydrophobicContact CB-CD1 3.71Å; F97-L161 HydrophobicContact CD1-CB 4.34Å; F97-L161 HydrophobicContact CD1-CD1 3.76Å; F97-L161 HydrophobicContact CD2-CB 4.44Å; F97-L161 HydrophobicContact CD2-CD1 3.97Å; F97-L161 HydrophobicContact CE1-CB 4.13Å; F97-L161 HydrophobicContact CE1-CD1 4.4Å; F97-L161 HydrophobicContact CE2-CB 4.23Å; F97-L161 HydrophobicContact CG-CB 4.49Å; F97-L161 HydrophobicContact CG-CD1 3.52Å; F97-L161 HydrophobicContact CZ-CB 4.06Å; L161-F164 PolarHBondContact O-N 2.84Å; L161-I165 HydrophobicContact CD1-CD1 3.94Å; L161-I165 HydrophobicContact CD1-CG1 4.36Å; L161-I165 HydrophobicContact CG-CD1 4Å; L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.12Å; L161-I165 PolarHBondContact O-N 3.25Å |
| 162 | D | 85.3 | Confident | 84.4 | Confident | 130 Ų | 130 | 64.2 Ų | 64.2 | 70% | 0.695 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | -180 | -73.8 | -76.3 | 0 | 0 | 0 | 111.7 | S160 I165 D166 | S160-D162 VanDerWaalsContact C-N 3.28Å; S160-D162 PolarHBondContact O-N 2.92Å; D162-I165 PolarHBondContact O-N 2.76Å; D162-D166 WeakPolarHBondContact O-CB 3.18Å; D162-D166 PolarHBondContact O-N 2.87Å |
| 163 | E | 87.6 | Confident | 84.1 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 175 | -73.8 | 165.3 | 156.3 | 0 | 0 | 110.7 | V151 N154 S160 I165 D166 G167 | V151-E163 HydrophobicContact CG1-CB 4.36Å; V151-E163 WeakPolarHBondContact CG1-O 3.38Å; N154-E163 PolarHBondContact ND2-OE1 3.29Å; S160-E163 WeakPolarHBondContact CB-OE2 3.36Å; S160-E163 PolarHBondContact N-OE2 3.12Å; S160-E163 PolarHBondContact O-N 2.9Å; S160-E163 PolarHBondContact OG-OE2 3.48Å; E163-I165 PolarHBondContact O-N 3.34Å; E163-D166 PolarHBondContact O-N 3.47Å; E163-G167 PolarHBondContact O-N 2.81Å |
| 164 | F | 83.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 176.8 | -173.9 | -93.3 | 0 | 0 | 0 | 112.5 | L93 T96 F97 Y100 I108 S160 L161 A168 L178 | L93-F164 HydrophobicContact CB-CE1 4.47Å; L93-F164 HydrophobicContact CD2-CE1 4.09Å; T96-F164 HydrophobicContact CG2-CZ 4.21Å; F97-F164 HydrophobicContact CB-CD1 4.18Å; F97-F164 HydrophobicContact CB-CE1 4.28Å; F97-F164 HydrophobicContact CD2-CB 3.71Å; F97-F164 AromaticContact CD2-CD1 3.99Å; F97-F164 HydrophobicContact CD2-CD1 3.99Å; F97-F164 HydrophobicContact CD2-CD2 4.17Å; F97-F164 AromaticContact CD2-CG 3.71Å; F97-F164 HydrophobicContact CD2-CG 3.71Å; F97-F164 HydrophobicContact CE2-CB 4.04Å; F97-F164 HydrophobicContact CE2-CG 4.42Å; Y100-F164 AromaticContact CD2-CE2 3.95Å; Y100-F164 HydrophobicContact CD2-CE2 3.95Å; Y100-F164 AromaticContact CD2-CZ 3.92Å; Y100-F164 HydrophobicContact CD2-CZ 3.92Å; Y100-F164 HydrophobicContact CE2-CE2 4.14Å; Y100-F164 AromaticContact CE2-CZ 3.84Å; Y100-F164 HydrophobicContact CE2-CZ 3.84Å; I108-F164 HydrophobicContact CD1-CD2 3.96Å; I108-F164 HydrophobicContact CD1-CE2 4.04Å; S160-F164 WeakPolarHBondContact O-CB 3.47Å; S160-F164 PolarHBondContact O-N 2.84Å; L161-F164 PolarHBondContact O-N 2.84Å; F164-A168 WeakPolarHBondContact O-CB 3.48Å; F164-A168 PolarHBondContact O-N 2.89Å; F164-L178 HydrophobicContact CD2-CD1 4.15Å; F164-L178 HydrophobicContact CE1-CD1 4.44Å; F164-L178 HydrophobicContact CE2-CD1 3.52Å; F164-L178 HydrophobicContact CE2-CD2 3.8Å; F164-L178 HydrophobicContact CE2-CG 4.21Å; F164-L178 HydrophobicContact CZ-CB 4.34Å; F164-L178 HydrophobicContact CZ-CD1 3.68Å; F164-L178 HydrophobicContact CZ-CD2 4.15Å; F164-L178 HydrophobicContact CZ-CG 4.29Å |
| 165 | I | 82.6 | Confident | 83.5 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.8 | -43.2 | 178.3 | -68.3 | 171.2 | 0 | 0 | 0 | 111 | E90 L93 L161 D162 E163 R169 | E90-I165 HydrophobicContact CG-CG2 4.36Å; L93-I165 HydrophobicContact CB-CG1 4.2Å; L161-I165 HydrophobicContact CD1-CD1 3.94Å; L161-I165 HydrophobicContact CD1-CG1 4.36Å; L161-I165 HydrophobicContact CG-CD1 4Å; L161-I165 VanDerWaalsContact O-CG1 3.3Å; L161-I165 WeakPolarHBondContact O-CG1 3.12Å; L161-I165 PolarHBondContact O-N 3.25Å; D162-I165 PolarHBondContact O-N 2.76Å; E163-I165 PolarHBondContact O-N 3.34Å; I165-R169 WeakPolarHBondContact O-CB 3.25Å; I165-R169 VanDerWaalsContact O-CG 3.3Å; I165-R169 WeakPolarHBondContact O-CG 3.31Å; I165-R169 PolarHBondContact O-N 2.95Å |
| 166 | D | 85.6 | Confident | 82.9 | Confident | 66 Ų | 66 | 59.3 Ų | 59.3 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.6 | -43.3 | 179.6 | -159.4 | 58.6 | 0 | 0 | 0 | 111.2 | D162 E163 A168 R169 R170 | D162-D166 WeakPolarHBondContact O-CB 3.18Å; D162-D166 PolarHBondContact O-N 2.87Å; E163-D166 PolarHBondContact O-N 3.47Å; D166-A168 PolarHBondContact O-N 2.92Å; D166-R169 CarbonylContact O-C 3.57Å; D166-R169 WeakPolarHBondContact O-CB 3.42Å; D166-R169 PolarHBondContact O-N 2.88Å; D166-R170 VanDerWaalsContact O-CB 3.25Å; D166-R170 WeakPolarHBondContact O-CB 3.35Å; D166-R170 PolarHBondContact O-N 2.89Å; D166-R170 IonicContact OD2-CZ 3.68Å; D166-R170 IonicContact OD2-NE 3.16Å; D166-R170 IonicContact OD2-NH2 2.67Å; D166-R170 PolarHBondContact OD2-NH2 2.84Å |
| 167 | G | 84 | Confident | 82.3 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E163 R169 R170 D171 | E163-G167 PolarHBondContact O-N 2.81Å; G167-R169 PolarHBondContact O-N 3.3Å; G167-R170 PolarHBondContact O-N 3Å; G167-D171 PolarHBondContact O-N 3.05Å |
| 168 | A | 81.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -24.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L93 F164 D166 M175 L178 | L93-A168 HydrophobicContact CD1-CB 4.04Å; L93-A168 HydrophobicContact CD2-CB 3.79Å; F164-A168 WeakPolarHBondContact O-CB 3.48Å; F164-A168 PolarHBondContact O-N 2.89Å; D166-A168 PolarHBondContact O-N 2.92Å; A168-M175 WeakPolarHBondContact O-CB 3.26Å; A168-L178 HydrophobicContact CB-CD1 4.4Å |
| 169 | R | 80.6 | Confident | 80.6 | Confident | 134 Ų | 134 | 54.1 Ų | 54.1 | 51% | 0.506 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -82.9 | -36.7 | 173.8 | -79.8 | 175.4 | 166.2 | -175 | -5.4 | 112.7 | E90 I165 D166 G167 | E90-R169 IonicContact OE1-NH2 3.13Å; E90-R169 PolarHBondContact OE1-NH2 3.24Å; E90-R169 IonicContact OE2-CZ 3.9Å; E90-R169 IonicContact OE2-NH2 3.97Å; E90-R169 PolarHBondContact OE2-NH2 2.91Å; I165-R169 WeakPolarHBondContact O-CB 3.25Å; I165-R169 VanDerWaalsContact O-CG 3.3Å; I165-R169 WeakPolarHBondContact O-CG 3.31Å; I165-R169 PolarHBondContact O-N 2.95Å; D166-R169 CarbonylContact O-C 3.57Å; D166-R169 WeakPolarHBondContact O-CB 3.42Å; D166-R169 PolarHBondContact O-N 2.88Å; G167-R169 PolarHBondContact O-N 3.3Å |
| 170 | R | 82.1 | Confident | 79.1 | Confident | 162 Ų | 162 | 56 Ų | 56 | 61% | 0.611 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -75.2 | -41.5 | -175.1 | -174.1 | 178.9 | -73.9 | 170.4 | 10.1 | 111.4 | E153 D166 G167 | E153-R170 IonicContact OE1-CZ 3.51Å; E153-R170 IonicContact OE1-NH1 3.73Å; E153-R170 PolarHBondContact OE1-NH1 3.5Å; E153-R170 IonicContact OE1-NH2 2.87Å; E153-R170 PolarHBondContact OE1-NH2 3.44Å; D166-R170 VanDerWaalsContact O-CB 3.25Å; D166-R170 WeakPolarHBondContact O-CB 3.35Å; D166-R170 PolarHBondContact O-N 2.89Å; D166-R170 IonicContact OD2-CZ 3.68Å; D166-R170 IonicContact OD2-NE 3.16Å; D166-R170 IonicContact OD2-NH2 2.67Å; D166-R170 PolarHBondContact OD2-NH2 2.84Å; G167-R170 PolarHBondContact O-N 3Å |
| 171 | D | 81 | Confident | 77 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | trans | -117.5 | 120.6 | -175 | -158.8 | -51.6 | 0 | 0 | 0 | 112.6 | G167 W173 V174 M175 | G167-D171 PolarHBondContact O-N 3.05Å; D171-W173 VanDerWaalsContact C-N 3.28Å; D171-W173 PolarHBondContact O-N 3.45Å; D171-W173 WeakPolarHBondContact OD1-CA 3.49Å; D171-W173 VanDerWaalsContact OD1-CB 3.26Å; D171-W173 WeakPolarHBondContact OD1-CB 3.24Å; D171-W173 PolarHBondContact OD1-N 3.07Å; D171-V174 HydrophobicContact CB-CB 4.04Å; D171-V174 HydrophobicContact CB-CG2 3.83Å; D171-V174 PolarHBondContact O-N 3.31Å; D171-M175 WeakPolarHBondContact O-CB 3.3Å; D171-M175 PolarHBondContact O-N 2.99Å | ||
| 172 | K | 77.4 | Confident | 75.2 | Confident | 183 Ų | 183 | 59 Ų | 59 | 80% | 0.796 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.4 | -28.5 | 178.8 | -68.2 | -176.2 | -179.6 | 178.9 | 0 | 112.8 | K176 | K172-K176 VanDerWaalsContact O-CB 3.31Å; K172-K176 WeakPolarHBondContact O-CB 3.5Å; K172-K176 PolarHBondContact O-N 2.69Å |
| 173 | W | 81.4 | Confident | 73.3 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71 | -46.7 | 176.3 | 177 | 91 | 0 | 0 | 0 | 110.3 | L138 V143 R146 I147 L150 D171 M175 K176 M177 | L138-W173 HydrophobicContact CD1-CZ2 4.13Å; V143-W173 HydrophobicContact CG1-CH2 4.02Å; V143-W173 HydrophobicContact CG1-CZ2 4.45Å; R146-W173 HydrophobicContact CB-CH2 4.17Å; R146-W173 HydrophobicContact CB-CZ3 4.4Å; R146-W173 HydrophobicContact CG-CH2 4Å; R146-W173 HydrophobicContact CG-CZ3 3.93Å; I147-W173 HydrophobicContact CG1-CH2 4.22Å; I147-W173 HydrophobicContact CG1-CZ3 3.89Å; L150-W173 HydrophobicContact CD1-CE3 4.24Å; L150-W173 HydrophobicContact CD1-CZ3 4.32Å; D171-W173 VanDerWaalsContact C-N 3.28Å; D171-W173 PolarHBondContact O-N 3.45Å; D171-W173 WeakPolarHBondContact OD1-CA 3.49Å; D171-W173 VanDerWaalsContact OD1-CB 3.26Å; D171-W173 WeakPolarHBondContact OD1-CB 3.24Å; D171-W173 PolarHBondContact OD1-N 3.07Å; W173-M175 VanDerWaalsContact C-N 3.3Å; W173-M175 PolarHBondContact O-N 2.99Å; W173-K176 PolarHBondContact O-N 3.03Å; W173-K176 VanDerWaalsContact O-N 3.17Å; W173-M177 WeakPolarHBondContact O-CB 3.38Å; W173-M177 PolarHBondContact O-N 3Å |
| 174 | V | 79.6 | Confident | 71.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 174.2 | 174 | 0 | 0 | 0 | 0 | 109.8 | L150 V151 D171 K176 M177 L178 | L150-V174 HydrophobicContact CB-CG2 4.23Å; L150-V174 HydrophobicContact CD1-CG2 3.89Å; V151-V174 HydrophobicContact CG2-CG1 3.77Å; V151-V174 HydrophobicContact CG2-CG2 4.21Å; D171-V174 HydrophobicContact CB-CB 4.04Å; D171-V174 HydrophobicContact CB-CG2 3.83Å; D171-V174 PolarHBondContact O-N 3.31Å; V174-K176 PolarHBondContact O-N 3.28Å; V174-M177 PolarHBondContact O-N 3.42Å; V174-L178 HydrophobicContact CG1-CD1 3.42Å; V174-L178 VanDerWaalsContact CG1-CD1 3.42Å; V174-L178 HydrophobicContact CG1-CG 4.11Å; V174-L178 WeakPolarHBondContact O-CB 3.15Å; V174-L178 VanDerWaalsContact O-CG 3.24Å; V174-L178 WeakPolarHBondContact O-CG 3.38Å; V174-L178 PolarHBondContact O-N 3.47Å |
| 175 | M | 76.7 | Confident | 69.5 | Low | 47 Ų | 47 | 55.6 Ų | 55.6 | 23% | 0.232 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.8 | -47.8 | 174.9 | -166.4 | 176.9 | 170.7 | 0 | 0 | 112.5 | L89 A168 D171 W173 M177 Q179 | L89-M175 HydrophobicContact CD1-CE 3.69Å; L89-M175 HydrophobicContact CD2-CE 3.6Å; L89-M175 HydrophobicContact CG-CE 4.3Å; A168-M175 WeakPolarHBondContact O-CB 3.26Å; D171-M175 WeakPolarHBondContact O-CB 3.3Å; D171-M175 PolarHBondContact O-N 2.99Å; W173-M175 VanDerWaalsContact C-N 3.3Å; W173-M175 PolarHBondContact O-N 2.99Å; M175-M177 VanDerWaalsContact C-N 3.29Å; M175-M177 PolarHBondContact O-N 3.33Å; M175-Q179 HydrophobicContact CG-CG 4.35Å; M175-Q179 WeakPolarHBondContact O-CA 3.42Å; M175-Q179 WeakPolarHBondContact O-CB 3.5Å; M175-Q179 VanDerWaalsContact O-CG 3.24Å; M175-Q179 WeakPolarHBondContact O-CG 3.5Å; M175-Q179 PolarHBondContact O-N 3.21Å |
| 176 | K | 73.3 | Confident | 67.8 | Low | 102 Ų | 102 | 58.5 Ų | 58.5 | 44% | 0.443 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.4 | -28.7 | 179.7 | -171.1 | -177.2 | 176 | -165.7 | 0 | 112.3 | D132 K172 W173 V174 Q179 | D132-K176 IonicContact OD2-NZ 2.74Å; D132-K176 PolarHBondContact OD2-NZ 3.3Å; K172-K176 VanDerWaalsContact O-CB 3.31Å; K172-K176 WeakPolarHBondContact O-CB 3.5Å; K172-K176 PolarHBondContact O-N 2.69Å; W173-K176 PolarHBondContact O-N 3.03Å; W173-K176 VanDerWaalsContact O-N 3.17Å; V174-K176 PolarHBondContact O-N 3.28Å; K176-Q179 VanDerWaalsContact O-O 3.05Å |
| 177 | M | 73.2 | Confident | 66 | Low | 9 Ų | 9 | 60.1 Ų | 60.1 | 4% | 0.044 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -80.3 | -39 | -179.9 | -161.6 | 59.5 | -171.4 | 0 | 0 | 111.9 | V117 Y121 V143 I147 W173 V174 M175 | V117-M177 HydrophobicContact CG1-CE 4.22Å; Y121-M177 HydrophobicContact CD2-CE 3.98Å; Y121-M177 HydrophobicContact CE2-CE 3.31Å; V143-M177 HydrophobicContact CG1-CE 3.8Å; V143-M177 HydrophobicContact CG1-CG 3.85Å; V143-M177 HydrophobicContact CG2-CE 4.26Å; I147-M177 HydrophobicContact CD1-CG 4.49Å; W173-M177 WeakPolarHBondContact O-CB 3.38Å; W173-M177 PolarHBondContact O-N 3Å; V174-M177 PolarHBondContact O-N 3.42Å; M175-M177 VanDerWaalsContact C-N 3.29Å; M175-M177 PolarHBondContact O-N 3.33Å |
| 178 | L | 70.9 | Confident | 64.3 | Low | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -80.8 | -30.4 | 176.8 | -63 | 173.5 | 0 | 0 | 0 | 112.5 | Y100 L113 I147 F164 A168 V174 M180 | Y100-L178 HydrophobicContact CE2-CD2 4.01Å; Y100-L178 PolarHBondContact OH-O 3Å; L113-L178 HydrophobicContact CD1-CD2 4.26Å; I147-L178 HydrophobicContact CD1-CD2 4.23Å; F164-L178 HydrophobicContact CD2-CD1 4.15Å; F164-L178 HydrophobicContact CE1-CD1 4.44Å; F164-L178 HydrophobicContact CE2-CD1 3.52Å; F164-L178 HydrophobicContact CE2-CD2 3.8Å; F164-L178 HydrophobicContact CE2-CG 4.21Å; F164-L178 HydrophobicContact CZ-CB 4.34Å; F164-L178 HydrophobicContact CZ-CD1 3.68Å; F164-L178 HydrophobicContact CZ-CD2 4.15Å; F164-L178 HydrophobicContact CZ-CG 4.29Å; A168-L178 HydrophobicContact CB-CD1 4.4Å; V174-L178 HydrophobicContact CG1-CD1 3.42Å; V174-L178 VanDerWaalsContact CG1-CD1 3.42Å; V174-L178 HydrophobicContact CG1-CG 4.11Å; V174-L178 WeakPolarHBondContact O-CB 3.15Å; V174-L178 VanDerWaalsContact O-CG 3.24Å; V174-L178 WeakPolarHBondContact O-CG 3.38Å; V174-L178 PolarHBondContact O-N 3.47Å; L178-M180 PolarHBondContact O-N 2.97Å; L178-M180 VanDerWaalsContact O-N 3.1Å |
| 179 | Q | 65.3 | Low | 62.7 | Low | 77 Ų | 77 | 63.5 Ų | 63.5 | 36% | 0.36 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -70.5 | 104.5 | 166.4 | -78.1 | -172.4 | -15.4 | 0 | 0 | 108 | M175 K176 D181 | M175-Q179 HydrophobicContact CG-CG 4.35Å; M175-Q179 WeakPolarHBondContact O-CA 3.42Å; M175-Q179 WeakPolarHBondContact O-CB 3.5Å; M175-Q179 VanDerWaalsContact O-CG 3.24Å; M175-Q179 WeakPolarHBondContact O-CG 3.5Å; M175-Q179 PolarHBondContact O-N 3.21Å; K176-Q179 VanDerWaalsContact O-O 3.05Å; Q179-D181 PolarHBondContact O-N 3.16Å |
| 180 | M | 55.9 | Low | 61 | Low | 39 Ų | 39 | 62.1 Ų | 62.1 | 19% | 0.192 | 29% | 0.29 | C | S | . | . | trans | -61 | 120.3 | 159.6 | -62.6 | -170.2 | 61.3 | 0 | 0 | 107.4 | Y56 I120 L123 L178 V182 | Y56-M180 HydrophobicContact CD2-CE 3.79Å; Y56-M180 HydrophobicContact CD2-SD 4.45Å; Y56-M180 HydrophobicContact CE1-CE 4.35Å; Y56-M180 HydrophobicContact CE2-CE 3.11Å; Y56-M180 HydrophobicContact CE2-SD 3.46Å; Y56-M180 WeakPolarHBondContact CE2-SD 3.27Å; Y56-M180 VanDerWaalsContact CZ-CE 3.42Å; I120-M180 HydrophobicContact CD1-CG 3.89Å; I120-M180 HydrophobicContact CD1-SD 4.34Å; I120-M180 HydrophobicContact CG1-CE 4.15Å; I120-M180 HydrophobicContact CG1-CG 3.92Å; I120-M180 HydrophobicContact CG1-SD 3.98Å; L123-M180 HydrophobicContact CD2-CE 3.95Å; L178-M180 PolarHBondContact O-N 2.97Å; L178-M180 VanDerWaalsContact O-N 3.1Å; M180-V182 HydrophobicContact CB-CB 4.41Å; M180-V182 HydrophobicContact CB-CG2 4.32Å; M180-V182 HydrophobicContact CE-CG2 3.98Å; M180-V182 PolarHBondContact O-N 3.23Å | ||
| 181 | D | 46 | Very low | 59.3 | Low | 110 Ų | 110 | 59.6 Ų | 59.6 | 59% | 0.588 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -64.6 | 27.1 | 164.4 | -74.2 | -56.8 | 0 | 0 | 0 | 111.7 | Q179 | Q179-D181 PolarHBondContact O-N 3.16Š|
| 182 | V | 46 | Very low | 57.6 | Low | 27 Ų | 27 | 64.3 Ų | 64.3 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | trans | -100.4 | 95.8 | 163.9 | -166.6 | 0 | 0 | 0 | 0 | 104.2 | Y56 L123 M180 P184 | Y56-V182 HydrophobicContact CE1-CG1 4.3Å; L123-V182 HydrophobicContact CD2-CG2 3.25Å; M180-V182 HydrophobicContact CB-CB 4.41Å; M180-V182 HydrophobicContact CB-CG2 4.32Å; M180-V182 HydrophobicContact CE-CG2 3.98Å; M180-V182 PolarHBondContact O-N 3.23Å; V182-P184 WeakPolarHBondContact O-CD 3.24Å | ||
| 183 | N | 45.7 | Very low | 56.1 | Low | 62 Ų | 62 | 63.3 Ų | 63.3 | 33% | 0.332 | 29% | 0.286 | S | S | . | . | trans | -83 | 98 | 160.2 | -174.6 | 8.4 | 0 | 0 | 0 | 105.3 | G185 D186 W187 | N183-G185 PolarHBondContact O-N 3.38Å; N183-G185 VanDerWaalsContact OD1-CA 3.3Å; N183-G185 WeakPolarHBondContact OD1-CA 3.36Å; N183-G185 PolarHBondContact OD1-N 3.37Å; N183-G185 VanDerWaalsContact OD1-N 3.11Å; N183-D186 HydrophobicContact CB-CB 4.13Å; N183-D186 VanDerWaalsContact CB-OD2 3.25Å; N183-D186 WeakPolarHBondContact CB-OD2 3.47Å; N183-D186 VanDerWaalsContact ND2-CG 3.3Å; N183-D186 PolarHBondContact ND2-OD2 3.24Å; N183-D186 WeakPolarHBondContact O-CA 3.48Å; N183-D186 WeakPolarHBondContact O-CB 3.29Å; N183-D186 PolarHBondContact O-N 2.95Å; N183-W187 PolarHBondContact O-N 3.46Å | ||
| 184 | P | 45.7 | Very low | 54.3 | Low | 20 Ų | 20 | 65.6 Ų | 65.6 | 13% | 0.13 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.1 | -20.5 | 170 | 10.3 | -18 | 0 | 0 | 0 | 110.8 | F45 V84 V182 D186 W187 I188 | F45-P184 HydrophobicContact CE1-CB 4.16Å; V84-P184 HydrophobicContact CB-CG 4.31Å; V84-P184 HydrophobicContact CG1-CB 3.82Å; V84-P184 HydrophobicContact CG1-CG 3.55Å; V84-P184 HydrophobicContact CG2-CB 4.48Å; V84-P184 HydrophobicContact CG2-CG 3.76Å; V182-P184 WeakPolarHBondContact O-CD 3.24Å; P184-D186 VanDerWaalsContact C-N 3.32Å; P184-D186 PolarHBondContact O-N 3.37Å; P184-W187 PolarHBondContact O-N 3.2Å; P184-I188 VanDerWaalsContact O-CB 3.3Å; P184-I188 WeakPolarHBondContact O-CB 3.33Å; P184-I188 VanDerWaalsContact O-CD1 3.3Å; P184-I188 WeakPolarHBondContact O-CD1 3.46Å; P184-I188 WeakPolarHBondContact O-CG1 3.43Å; P184-I188 PolarHBondContact O-N 3.39Å |
| 185 | G | 45.8 | Very low | 52.5 | Low | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.1 | -34.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N183 N189 | N183-G185 PolarHBondContact O-N 3.38Å; N183-G185 VanDerWaalsContact OD1-CA 3.3Å; N183-G185 WeakPolarHBondContact OD1-CA 3.36Å; N183-G185 PolarHBondContact OD1-N 3.37Å; N183-G185 VanDerWaalsContact OD1-N 3.11Å; G185-N189 WeakPolarHBondContact O-CB 3.32Å; G185-N189 PolarHBondContact O-N 3.12Å; G185-N189 PolarHBondContact O-ND2 2.77Å; G185-N189 VanDerWaalsContact O-ND2 3.1Å |
| 186 | D | 46.8 | Very low | 50.5 | Low | 80 Ų | 80 | 72.9 Ų | 72.9 | 43% | 0.428 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 172.4 | -75.3 | -40.2 | 0 | 0 | 0 | 111.3 | N183 P184 I188 N189 E190 | N183-D186 HydrophobicContact CB-CB 4.13Å; N183-D186 VanDerWaalsContact CB-OD2 3.25Å; N183-D186 WeakPolarHBondContact CB-OD2 3.47Å; N183-D186 VanDerWaalsContact ND2-CG 3.3Å; N183-D186 PolarHBondContact ND2-OD2 3.24Å; N183-D186 WeakPolarHBondContact O-CA 3.48Å; N183-D186 WeakPolarHBondContact O-CB 3.29Å; N183-D186 PolarHBondContact O-N 2.95Å; P184-D186 VanDerWaalsContact C-N 3.32Å; P184-D186 PolarHBondContact O-N 3.37Å; D186-I188 VanDerWaalsContact C-N 3.34Å; D186-I188 PolarHBondContact O-N 3.01Å; D186-N189 CarbonylContact O-C 3.58Å; D186-N189 PolarHBondContact O-N 2.89Å; D186-E190 WeakPolarHBondContact O-CB 3.42Å; D186-E190 PolarHBondContact O-N 3.34Å |
| 187 | W | 47.9 | Very low | 48.5 | Very low | 100 Ų | 100 | 80.5 Ų | 80.5 | 38% | 0.379 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 173.8 | -74.3 | 19.8 | 0 | 0 | 0 | 112.3 | F45 V47 N183 P184 E190 R191 | F45-W187 HydrophobicContact CB-CE3 4.34Å; F45-W187 HydrophobicContact CB-CZ3 4.23Å; F45-W187 AromaticContact CD1-CE3 3.92Å; F45-W187 HydrophobicContact CD1-CE3 3.92Å; F45-W187 HydrophobicContact CD1-CZ3 4.4Å; V47-W187 HydrophobicContact CG2-CH2 4.28Å; V47-W187 HydrophobicContact CG2-CZ3 3.88Å; N183-W187 PolarHBondContact O-N 3.46Å; P184-W187 PolarHBondContact O-N 3.2Å; W187-E190 PolarHBondContact O-N 3.45Å; W187-R191 WeakPolarHBondContact O-CB 3.34Å; W187-R191 PolarHBondContact O-N 3.46Å |
| 188 | I | 47.9 | Very low | 47.3 | Very low | 35 Ų | 35 | 84.1 Ų | 84.1 | 18% | 0.179 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 174.7 | -68.4 | 161.8 | 0 | 0 | 0 | 110.4 | L81 V84 L85 P184 D186 R191 R192 | L81-I188 HydrophobicContact CD2-CD1 3.64Å; V84-I188 HydrophobicContact CG1-CD1 4.34Å; L85-I188 HydrophobicContact CD2-CG2 4.39Å; P184-I188 VanDerWaalsContact O-CB 3.3Å; P184-I188 WeakPolarHBondContact O-CB 3.33Å; P184-I188 VanDerWaalsContact O-CD1 3.3Å; P184-I188 WeakPolarHBondContact O-CD1 3.46Å; P184-I188 WeakPolarHBondContact O-CG1 3.43Å; P184-I188 PolarHBondContact O-N 3.39Å; D186-I188 VanDerWaalsContact C-N 3.34Å; D186-I188 PolarHBondContact O-N 3.01Å; I188-R191 PolarHBondContact O-N 2.79Å; I188-R192 WeakPolarHBondContact O-CB 3.39Å; I188-R192 PolarHBondContact O-N 2.74Å |
| 189 | N | 47.3 | Very low | 46 | Very low | 44 Ų | 44 | 88.2 Ų | 88.2 | 24% | 0.235 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -71.4 | -29 | 176.8 | -80.5 | -31.3 | 0 | 0 | 0 | 112.9 | G185 D186 R192 R193 | G185-N189 WeakPolarHBondContact O-CB 3.32Å; G185-N189 PolarHBondContact O-N 3.12Å; G185-N189 PolarHBondContact O-ND2 2.77Å; G185-N189 VanDerWaalsContact O-ND2 3.1Å; D186-N189 CarbonylContact O-C 3.58Å; D186-N189 PolarHBondContact O-N 2.89Å; N189-R192 WeakPolarHBondContact O-CB 3.45Å; N189-R192 PolarHBondContact O-N 3.43Å; N189-R193 PolarHBondContact O-N 2.59Å |
| 190 | E | 43.9 | Very low | 45 | Very low | 105 Ų | 105 | 88.8 Ų | 88.8 | 49% | 0.491 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -74.4 | -40.7 | 176.4 | -158.2 | 144.5 | -125.3 | 0 | 0 | 109.9 | D186 W187 R192 R193 S194 | D186-E190 WeakPolarHBondContact O-CB 3.42Å; D186-E190 PolarHBondContact O-N 3.34Å; W187-E190 PolarHBondContact O-N 3.45Å; E190-R192 VanDerWaalsContact C-N 3.35Å; E190-R192 PolarHBondContact O-N 3.28Å; E190-R193 WeakPolarHBondContact O-CB 3.42Å; E190-R193 PolarHBondContact O-N 2.88Å; E190-R193 VanDerWaalsContact O-N 3.15Å; E190-S194 PolarHBondContact O-N 3.37Å; E190-S194 PolarHBondContact O-OG 3.07Å |
| 191 | R | 46.5 | Very low | 44.3 | Very low | 109 Ų | 109 | 91.8 Ų | 91.8 | 41% | 0.411 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.9 | -31.7 | 169.4 | -157.2 | 165 | 171.9 | 142.2 | -1.9 | 112.4 | F44 W187 I188 R193 S194 A195 | F44-R191 PolarHBondContact O-NH1 3.08Å; W187-R191 WeakPolarHBondContact O-CB 3.34Å; W187-R191 PolarHBondContact O-N 3.46Å; I188-R191 PolarHBondContact O-N 2.79Å; R191-R193 VanDerWaalsContact C-N 3.3Å; R191-R193 PolarHBondContact O-N 2.95Å; R191-S194 PolarHBondContact O-N 2.84Å; R191-A195 WeakPolarHBondContact O-CB 3.48Å; R191-A195 PolarHBondContact O-N 2.94Å |
| 192 | R | 46.5 | Very low | 44.2 | Very low | 152 Ų | 152 | 90.6 Ų | 90.6 | 57% | 0.574 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.3 | -35.5 | 169.1 | -175.7 | -176.7 | 177.2 | 172.4 | 4.5 | 112.1 | I188 N189 E190 | I188-R192 WeakPolarHBondContact O-CB 3.39Å; I188-R192 PolarHBondContact O-N 2.74Å; N189-R192 WeakPolarHBondContact O-CB 3.45Å; N189-R192 PolarHBondContact O-N 3.43Å; E190-R192 VanDerWaalsContact C-N 3.35Å; E190-R192 PolarHBondContact O-N 3.28Å |
| 193 | R | 46 | Very low | 44.1 | Very low | 163 Ų | 163 | 94.9 Ų | 94.9 | 62% | 0.615 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -74.7 | -38.4 | 173.9 | -84.6 | -178.3 | -89 | 158 | -4.8 | 112.2 | N189 E190 R191 | N189-R193 PolarHBondContact O-N 2.59Å; E190-R193 WeakPolarHBondContact O-CB 3.42Å; E190-R193 PolarHBondContact O-N 2.88Å; E190-R193 VanDerWaalsContact O-N 3.15Å; R191-R193 VanDerWaalsContact C-N 3.3Å; R191-R193 PolarHBondContact O-N 2.95Å |
| 194 | S | 43.4 | Very low | 44 | Very low | 90 Ų | 90 | 97.2 Ų | 97.2 | 63% | 0.629 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -75.2 | -27.1 | 179.9 | -63.1 | 0 | 0 | 0 | 0 | 114.5 | E190 R191 N196 | E190-S194 PolarHBondContact O-N 3.37Å; E190-S194 PolarHBondContact O-OG 3.07Å; R191-S194 PolarHBondContact O-N 2.84Å; S194-N196 VanDerWaalsContact C-N 3.29Å; S194-N196 PolarHBondContact O-N 2.86Å |
| 195 | A | 42.3 | Very low | 43.9 | Very low | 67 Ų | 67 | 103.2 Ų | 103.2 | 55% | 0.554 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 1.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R191 | R191-A195 WeakPolarHBondContact O-CB 3.48Å; R191-A195 PolarHBondContact O-N 2.94Å |
| 196 | N | 34.8 | Very low | 43.7 | Very low | 132 Ų | 132 | 111.7 Ų | 111.7 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 26 | 177.3 | -89.1 | -15.4 | 0 | 0 | 0 | 113 | S194 | S194-N196 VanDerWaalsContact C-N 3.29Å; S194-N196 PolarHBondContact O-N 2.86Å |
| 197 | F | 31 | Very low | 43.4 | Very low | 263 Ų | 263 | 114.5 Ų | 114.5 | 100% | 1.154 | 54% | 0.539 | S | S | * | . | trans | -122.8 | 0 | 166.7 | -96.6 | -83.5 | 0 | 0 | 0 | 111.1 |
Retrieved 197 of 197 residues in 371.2 ms
(Link to these results)