| 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 | 30.9 | Very low | 31.2 | Very low | 215 Ų | 215 | 128.5 Ų | 128.5 | 100% | 1.059 | 61% | 0.61 | S | S | * | * | 0 | -59.8 | 0 | -75.6 | -178.1 | 175.9 | 0 | 0 | 112 | W3 Y4 | M1-W3 VanDerWaalsContact C-N 3.34Å; M1-W3 PolarHBondContact O-N 2.68Å; M1-W3 VanDerWaalsContact O-N 3.16Å; M1-Y4 PolarHBondContact O-N 3.07Å | |||
| 2 | L | 25.2 | Very low | 31.5 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 75% | 0.749 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -44.5 | -48.6 | -179.1 | -81.7 | 151 | 0 | 0 | 0 | 115.2 | Y4 N5 I6 | L2-Y4 VanDerWaalsContact C-N 3.27Å; L2-Y4 PolarHBondContact O-N 2.61Å; L2-N5 PolarHBondContact O-N 3.4Å; L2-I6 PolarHBondContact O-N 3.01Å |
| 3 | W | 25.8 | Very low | 32.2 | Very low | 232 Ų | 232 | 120.6 Ų | 120.6 | 88% | 0.879 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.3 | -30.1 | 178.9 | -84.9 | 66.6 | 0 | 0 | 0 | 115.1 | M1 | M1-W3 VanDerWaalsContact C-N 3.34Å; M1-W3 PolarHBondContact O-N 2.68Å; M1-W3 VanDerWaalsContact O-N 3.16Å |
| 4 | Y | 28.3 | Very low | 33 | Very low | 171 Ų | 171 | 115.8 Ų | 115.8 | 67% | 0.671 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -79.6 | -29.9 | -177.4 | -149.6 | -91.4 | 0 | 0 | 0 | 112 | M1 L2 I8 | M1-Y4 PolarHBondContact O-N 3.07Å; L2-Y4 VanDerWaalsContact C-N 3.27Å; L2-Y4 PolarHBondContact O-N 2.61Å; Y4-I8 HydrophobicContact CD1-CD1 3.83Å; Y4-I8 HydrophobicContact CE1-CD1 3.93Å; Y4-I8 WeakPolarHBondContact O-CG1 3.43Å |
| 5 | N | 25.3 | Very low | 33.6 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 56% | 0.561 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.5 | -32.7 | 174.6 | -82.2 | -9.8 | 0 | 0 | 0 | 112.2 | L2 I8 Q9 | L2-N5 PolarHBondContact O-N 3.4Å; N5-I8 PolarHBondContact O-N 3.15Å; N5-Q9 PolarHBondContact O-N 2.92Å |
| 6 | I | 32 | Very low | 33.9 | Very low | 89 Ų | 89 | 110.6 Ų | 110.6 | 46% | 0.456 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | -178.7 | -64.1 | 168.2 | 0 | 0 | 0 | 111.3 | L2 I8 Q9 N10 | L2-I6 PolarHBondContact O-N 3.01Å; I6-I8 VanDerWaalsContact C-N 3.31Å; I6-I8 PolarHBondContact O-N 3.07Å; I6-Q9 PolarHBondContact O-N 3.06Å; I6-N10 PolarHBondContact O-N 2.88Å |
| 7 | Q | 32.6 | Very low | 34.2 | Very low | 114 Ų | 114 | 107.6 Ų | 107.6 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -35.9 | 176.4 | -103.6 | -166.2 | -27.1 | 0 | 0 | 113 | S11 | Q7-S11 WeakPolarHBondContact O-CB 3.49Å; Q7-S11 PolarHBondContact O-N 2.86Å; Q7-S11 VanDerWaalsContact O-N 3.15Å; Q7-S11 PolarHBondContact O-OG 2.59Å |
| 8 | I | 35.5 | Very low | 34.7 | Very low | 79 Ų | 79 | 104 Ų | 104 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.5 | -41 | 175.8 | -65.1 | 173.8 | 0 | 0 | 0 | 110.5 | Y4 N5 I6 S11 L12 | Y4-I8 HydrophobicContact CD1-CD1 3.83Å; Y4-I8 HydrophobicContact CE1-CD1 3.93Å; Y4-I8 WeakPolarHBondContact O-CG1 3.43Å; N5-I8 PolarHBondContact O-N 3.15Å; I6-I8 VanDerWaalsContact C-N 3.31Å; I6-I8 PolarHBondContact O-N 3.07Å; I8-S11 PolarHBondContact O-N 2.79Å; I8-L12 HydrophobicContact CG2-CD1 3.8Å; I8-L12 HydrophobicContact CG2-CG 4.45Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 WeakPolarHBondContact O-CG 3.46Å; I8-L12 PolarHBondContact O-N 2.85Å |
| 9 | Q | 33 | Very low | 34.9 | Very low | 125 Ų | 125 | 103.2 Ų | 103.2 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 174.7 | -84.3 | -167.5 | -62.2 | 0 | 0 | 112.4 | N5 I6 S11 L12 S13 | N5-Q9 PolarHBondContact O-N 2.92Å; I6-Q9 PolarHBondContact O-N 3.06Å; Q9-S11 VanDerWaalsContact C-N 3.31Å; Q9-S11 PolarHBondContact O-N 2.98Å; Q9-L12 PolarHBondContact O-N 2.61Å; Q9-S13 WeakPolarHBondContact O-CB 3.31Å; Q9-S13 PolarHBondContact O-N 3.33Å; Q9-S13 PolarHBondContact O-OG 3.19Å; Q9-S13 VanDerWaalsContact O-OG 3.12Å |
| 10 | N | 36.8 | Very low | 34.8 | Very low | 100 Ų | 100 | 101.5 Ų | 101.5 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 178.3 | -73.3 | 7.1 | 0 | 0 | 0 | 111.6 | I6 S13 I14 | I6-N10 PolarHBondContact O-N 2.88Å; N10-S13 PolarHBondContact O-N 2.84Å; N10-I14 WeakPolarHBondContact O-CG1 3.01Å; N10-I14 PolarHBondContact O-N 3.14Å; N10-I14 VanDerWaalsContact O-N 3.09Å |
| 11 | S | 38 | Very low | 34.8 | Very low | 40 Ų | 40 | 104.6 Ų | 104.6 | 28% | 0.28 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.7 | -55.2 | 0 | 0 | 0 | 0 | 112.5 | Q7 I8 Q9 I15 | Q7-S11 WeakPolarHBondContact O-CB 3.49Å; Q7-S11 PolarHBondContact O-N 2.86Å; Q7-S11 VanDerWaalsContact O-N 3.15Å; Q7-S11 PolarHBondContact O-OG 2.59Å; I8-S11 PolarHBondContact O-N 2.79Å; Q9-S11 VanDerWaalsContact C-N 3.31Å; Q9-S11 PolarHBondContact O-N 2.98Å; S11-I15 WeakPolarHBondContact O-CG1 3.46Å; S11-I15 PolarHBondContact O-N 3.39Å |
| 12 | L | 35 | Very low | 35.2 | Very low | 94 Ų | 94 | 99.3 Ų | 99.3 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | 174.8 | -79.6 | 166 | 0 | 0 | 0 | 112.2 | I8 Q9 I14 I15 V16 | I8-L12 HydrophobicContact CG2-CD1 3.8Å; I8-L12 HydrophobicContact CG2-CG 4.45Å; I8-L12 WeakPolarHBondContact O-CB 3.39Å; I8-L12 WeakPolarHBondContact O-CG 3.46Å; I8-L12 PolarHBondContact O-N 2.85Å; Q9-L12 PolarHBondContact O-N 2.61Å; L12-I14 VanDerWaalsContact C-N 3.31Å; L12-I14 PolarHBondContact O-N 3.04Å; L12-I15 PolarHBondContact O-N 3.41Å; L12-V16 WeakPolarHBondContact O-CB 3.43Å; L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.26Å; L12-V16 PolarHBondContact O-N 3.38Å |
| 13 | S | 39.7 | Very low | 35.4 | Very low | 61 Ų | 61 | 100.3 Ų | 100.3 | 43% | 0.427 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 175.1 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | Q9 N10 V16 L17 | Q9-S13 WeakPolarHBondContact O-CB 3.31Å; Q9-S13 PolarHBondContact O-N 3.33Å; Q9-S13 PolarHBondContact O-OG 3.19Å; Q9-S13 VanDerWaalsContact O-OG 3.12Å; N10-S13 PolarHBondContact O-N 2.84Å; S13-V16 PolarHBondContact O-N 2.72Å; S13-L17 VanDerWaalsContact O-CB 3.28Å; S13-L17 WeakPolarHBondContact O-CB 3.49Å; S13-L17 PolarHBondContact O-N 3.04Å |
| 14 | I | 44.1 | Very low | 35.5 | Very low | 53 Ų | 53 | 94.2 Ų | 94.2 | 27% | 0.272 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 173.4 | -67.7 | 161.8 | 0 | 0 | 0 | 110.8 | N10 L12 V16 L17 V18 L69 | N10-I14 WeakPolarHBondContact O-CG1 3.01Å; N10-I14 PolarHBondContact O-N 3.14Å; N10-I14 VanDerWaalsContact O-N 3.09Å; L12-I14 VanDerWaalsContact C-N 3.31Å; L12-I14 PolarHBondContact O-N 3.04Å; I14-V16 PolarHBondContact O-N 2.65Å; I14-L17 PolarHBondContact O-N 3.2Å; I14-V18 WeakPolarHBondContact O-CB 3.4Å; I14-V18 WeakPolarHBondContact O-CG2 3.42Å; I14-V18 PolarHBondContact O-N 3.19Å; I14-L69 HydrophobicContact CG2-CD2 3.91Å |
| 15 | I | 42.6 | Very low | 35.5 | Very low | 68 Ų | 68 | 93.3 Ų | 93.3 | 35% | 0.349 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 178.7 | -66.9 | 166.7 | 0 | 0 | 0 | 110.7 | S11 L12 L19 | S11-I15 WeakPolarHBondContact O-CG1 3.46Å; S11-I15 PolarHBondContact O-N 3.39Å; L12-I15 PolarHBondContact O-N 3.41Å; I15-L19 HydrophobicContact CG2-CD1 3.76Å; I15-L19 VanDerWaalsContact O-CB 3.26Å; I15-L19 WeakPolarHBondContact O-CB 3.4Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.38Å |
| 16 | V | 38.5 | Very low | 35.9 | Very low | 80 Ų | 80 | 96.7 Ų | 96.7 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -38.5 | -179.1 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | L12 S13 I14 L19 C20 | L12-V16 WeakPolarHBondContact O-CB 3.43Å; L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 WeakPolarHBondContact O-CG2 3.26Å; L12-V16 PolarHBondContact O-N 3.38Å; S13-V16 PolarHBondContact O-N 2.72Å; I14-V16 PolarHBondContact O-N 2.65Å; V16-L19 CarbonylContact O-C 3.48Å; V16-L19 PolarHBondContact O-N 3.05Å; V16-C20 WeakPolarHBondContact O-CA 3.28Å; V16-C20 WeakPolarHBondContact O-CB 3.22Å; V16-C20 PolarHBondContact O-N 3.44Å; V16-C20 PolarHBondContact O-SG 2.69Å |
| 17 | L | 38.9 | Very low | 35.7 | Very low | 61 Ų | 61 | 98.2 Ų | 98.2 | 32% | 0.319 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.8 | -43.1 | 178.2 | -87.2 | 152.7 | 0 | 0 | 0 | 112.5 | S13 I14 L19 C20 R21 I117 F120 | S13-L17 VanDerWaalsContact O-CB 3.28Å; S13-L17 WeakPolarHBondContact O-CB 3.49Å; S13-L17 PolarHBondContact O-N 3.04Å; I14-L17 PolarHBondContact O-N 3.2Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.29Å; L17-C20 PolarHBondContact O-N 3.46Å; L17-R21 PolarHBondContact O-N 2.87Å; L17-I117 HydrophobicContact CD2-CG2 4.1Å; L17-F120 HydrophobicContact CD1-CD2 3.97Å; L17-F120 HydrophobicContact CD1-CE2 3.58Å; L17-F120 HydrophobicContact CD1-CZ 4.41Å; L17-F120 HydrophobicContact CD2-CE2 4.46Å |
| 18 | V | 42.9 | Very low | 35.4 | Very low | 42 Ų | 42 | 100.9 Ų | 100.9 | 26% | 0.255 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 172.6 | 174.5 | 0 | 0 | 0 | 0 | 109.6 | I14 C20 F22 | I14-V18 WeakPolarHBondContact O-CB 3.4Å; I14-V18 WeakPolarHBondContact O-CG2 3.42Å; I14-V18 PolarHBondContact O-N 3.19Å; V18-C20 PolarHBondContact O-N 3.43Å; V18-F22 HydrophobicContact CG1-CD2 4.34Å; V18-F22 HydrophobicContact CG1-CE2 4.25Å; V18-F22 WeakPolarHBondContact O-CD2 3.42Å |
| 19 | L | 37.8 | Very low | 35.1 | Very low | 89 Ų | 89 | 101.5 Ų | 101.5 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.9 | -30.2 | 176.2 | -70.4 | 173 | 0 | 0 | 0 | 113.8 | I15 V16 L17 F22 H23 | I15-L19 HydrophobicContact CG2-CD1 3.76Å; I15-L19 VanDerWaalsContact O-CB 3.26Å; I15-L19 WeakPolarHBondContact O-CB 3.4Å; I15-L19 WeakPolarHBondContact O-CG 3.47Å; I15-L19 PolarHBondContact O-N 3.38Å; V16-L19 CarbonylContact O-C 3.48Å; V16-L19 PolarHBondContact O-N 3.05Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.29Å; L19-F22 CarbonylContact O-C 3.57Å; L19-F22 VanDerWaalsContact O-C 3.24Å; L19-F22 VanDerWaalsContact O-CA 3.31Å; L19-F22 WeakPolarHBondContact O-CA 3.03Å; L19-F22 PolarHBondContact O-N 2.68Å; L19-H23 WeakPolarHBondContact O-CB 3.38Å; L19-H23 PolarHBondContact O-N 3Å |
| 20 | C | 33.4 | Very low | 35.1 | Very low | 68 Ų | 68 | 103.5 Ų | 103.5 | 46% | 0.459 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -37.3 | 178.5 | -89.7 | 0 | 0 | 0 | 0 | 111.9 | V16 L17 V18 F22 H23 C24 | V16-C20 WeakPolarHBondContact O-CA 3.28Å; V16-C20 WeakPolarHBondContact O-CB 3.22Å; V16-C20 PolarHBondContact O-N 3.44Å; V16-C20 PolarHBondContact O-SG 2.69Å; L17-C20 PolarHBondContact O-N 3.46Å; V18-C20 PolarHBondContact O-N 3.43Å; C20-F22 PolarHBondContact O-N 3.47Å; C20-H23 PolarHBondContact O-N 2.86Å; C20-C24 PolarHBondContact O-N 2.93Å |
| 21 | R | 34.2 | Very low | 35.2 | Very low | 167 Ų | 167 | 104.2 Ų | 104.2 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.6 | -18.1 | 167.3 | -93.9 | -170.1 | 171 | -174.6 | 0.7 | 113.4 | L17 D118 | L17-R21 PolarHBondContact O-N 2.87Å; R21-D118 IonicContact CZ-OD2 3.52Å; R21-D118 IonicContact NE-OD1 3.56Å; R21-D118 IonicContact NE-OD2 3.44Å; R21-D118 PolarHBondContact NE-OD2 2.97Å; R21-D118 VanDerWaalsContact NH2-CG 3.3Å; R21-D118 PolarHBondContact NH2-O 2.85Å; R21-D118 IonicContact NH2-OD2 2.74Å; R21-D118 PolarHBondContact NH2-OD2 3.18Å |
| 22 | F | 38.6 | Very low | 35.5 | Very low | 105 Ų | 105 | 108.1 Ų | 108.1 | 46% | 0.461 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.2 | -0.6 | 174.1 | -72.7 | -66 | 0 | 0 | 0 | 115 | V18 L19 C20 F67 | V18-F22 HydrophobicContact CG1-CD2 4.34Å; V18-F22 HydrophobicContact CG1-CE2 4.25Å; V18-F22 WeakPolarHBondContact O-CD2 3.42Å; L19-F22 CarbonylContact O-C 3.57Å; L19-F22 VanDerWaalsContact O-C 3.24Å; L19-F22 VanDerWaalsContact O-CA 3.31Å; L19-F22 WeakPolarHBondContact O-CA 3.03Å; L19-F22 PolarHBondContact O-N 2.68Å; C20-F22 PolarHBondContact O-N 3.47Å; F22-F67 HydrophobicContact CE2-CE1 4.42Å |
| 23 | H | 30.4 | Very low | 36.4 | Very low | 164 Ų | 164 | 108.1 Ų | 108.1 | 76% | 0.759 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | -7 | 179.3 | -95 | 41.6 | 0 | 0 | 0 | 114.7 | L19 C20 L25 | L19-H23 WeakPolarHBondContact O-CB 3.38Å; L19-H23 PolarHBondContact O-N 3Å; C20-H23 PolarHBondContact O-N 2.86Å; H23-L25 PolarHBondContact O-N 3.46Å |
| 24 | C | 28.4 | Very low | 38.1 | Very low | 103 Ų | 103 | 110 Ų | 110 | 70% | 0.696 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -77.7 | 111.6 | 162.2 | -101 | 0 | 0 | 0 | 0 | 110.7 | C20 | C20-C24 PolarHBondContact O-N 2.93Š|
| 25 | L | 27.9 | Very low | 39.9 | Very low | 153 Ų | 153 | 109.2 Ų | 109.2 | 80% | 0.801 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 77.6 | 99.2 | 167 | -59.9 | 162.2 | 0 | 0 | 0 | 117 | H23 C27 | H23-L25 PolarHBondContact O-N 3.46Å; L25-C27 PolarHBondContact O-N 3.16Å |
| 26 | I | 33.1 | Very low | 41.7 | Very low | 175 Ų | 175 | 107 Ų | 107 | 90% | 0.897 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -29.2 | 93.4 | 152 | -54.4 | 159.8 | 0 | 0 | 0 | 111.9 | ||
| 27 | C | 27.9 | Very low | 43.5 | Very low | 122 Ų | 122 | 104.3 Ų | 104.3 | 82% | 0.824 | 55% | 0.553 | S | S | * | * | trans | -174.6 | -0.7 | 161.7 | -112.3 | 0 | 0 | 0 | 0 | 116.4 | L25 | L25-C27 PolarHBondContact O-N 3.16Š| ||
| 28 | F | 27 | Very low | 45.3 | Very low | 169 Ų | 169 | 106.1 Ų | 106.1 | 74% | 0.741 | 57% | 0.566 | S | S | * | * | trans | -88.7 | 130.4 | 175.8 | -76.9 | -78.2 | 0 | 0 | 0 | 111.6 | F31 | F28-F31 HydrophobicContact CB-CE2 4.01Å; F28-F31 AromaticContact CD1-CE2 3.83Å; F28-F31 HydrophobicContact CD1-CE2 3.83Å; F28-F31 AromaticContact CD1-CZ 4Å; F28-F31 HydrophobicContact CD1-CZ 4Å; F28-F31 HydrophobicContact CG-CE2 4.22Å | ||
| 29 | P | 29.4 | Very low | 46.7 | Very low | 93 Ų | 93 | 106.6 Ų | 106.6 | 60% | 0.604 | 57% | 0.57 | S | S | * | * | trans | -62.3 | 150 | 172.9 | 29.2 | -34.4 | 0 | 0 | 0 | 109.2 | F31 | P29-F31 WeakPolarHBondContact O-CD2 3.48Å; P29-F31 PolarHBondContact O-N 3.47Å | ||
| 30 | I | 32.4 | Very low | 48.3 | Very low | 167 Ų | 167 | 106.2 Ų | 106.2 | 86% | 0.856 | 57% | 0.565 | S | S | * | * | trans | -60.1 | 99.5 | -180 | -59.3 | 166.2 | 0 | 0 | 0 | 107.8 | D32 | I30-D32 PolarHBondContact O-N 3.35Å; I30-D32 VanDerWaalsContact O-N 3.16Å | ||
| 31 | F | 39.7 | Very low | 50.4 | Low | 115 Ų | 115 | 103.5 Ų | 103.5 | 50% | 0.504 | 55% | 0.546 | S | S | . | . | trans | -64.9 | 115.6 | 179.2 | -73.4 | -75.2 | 0 | 0 | 0 | 108.5 | F28 P29 | F28-F31 HydrophobicContact CB-CE2 4.01Å; F28-F31 AromaticContact CD1-CE2 3.83Å; F28-F31 HydrophobicContact CD1-CE2 3.83Å; F28-F31 AromaticContact CD1-CZ 4Å; F28-F31 HydrophobicContact CD1-CZ 4Å; F28-F31 HydrophobicContact CG-CE2 4.22Å; P29-F31 WeakPolarHBondContact O-CD2 3.48Å; P29-F31 PolarHBondContact O-N 3.47Å | ||
| 32 | D | 42.8 | Very low | 52.1 | Low | 121 Ų | 121 | 101.2 Ų | 101.2 | 65% | 0.647 | 54% | 0.54 | S | S | * | . | trans | -70.2 | 156.9 | -168.6 | -148.3 | -26.6 | 0 | 0 | 0 | 111.8 | I30 E34 | I30-D32 PolarHBondContact O-N 3.35Å; I30-D32 VanDerWaalsContact O-N 3.16Å; D32-E34 PolarHBondContact O-N 3.43Å | ||
| 33 | T | 54.7 | Low | 53.8 | Low | 94 Ų | 94 | 97.3 Ų | 97.3 | 58% | 0.577 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -76.9 | 34.8 | -162 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | C35 K52 | T33-C35 VanDerWaalsContact C-N 3.31Å; T33-C35 PolarHBondContact O-N 3.38Å; T33-K52 WeakPolarHBondContact O-CD 3.39Å; T33-K52 WeakPolarHBondContact O-CE 3.19Å; T33-K52 PolarHBondContact O-NZ 2.99Å; T33-K52 PolarHBondContact OG1-NZ 2.71Å |
| 34 | E | 75.4 | Confident | 55.9 | Low | 102 Ų | 102 | 90.7 Ų | 90.7 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | trans | -80.3 | -0.2 | -167.7 | -61.1 | -156.5 | 148.1 | 0 | 0 | 115.5 | D32 H51 K52 | D32-E34 PolarHBondContact O-N 3.43Å; E34-H51 CarbonylContact O-C 3.37Å; E34-H51 VanDerWaalsContact O-CA 3.25Å; E34-H51 WeakPolarHBondContact O-CA 3.49Å; E34-K52 PolarHBondContact O-N 3.23Å | ||
| 35 | C | 82.4 | Confident | 58.4 | Low | 35 Ų | 35 | 86.6 Ų | 86.6 | 24% | 0.236 | 47% | 0.469 | C | S | . | . | trans | -65 | 134.6 | 179 | -54.5 | 0 | 0 | 0 | 0 | 112.9 | T33 S37 C66 W68 | T33-C35 VanDerWaalsContact C-N 3.31Å; T33-C35 PolarHBondContact O-N 3.38Å; C35-S37 VanDerWaalsContact C-N 3.26Å; C35-S37 PolarHBondContact O-N 3.48Å; C35-C66 WeakPolarHBondContact CA-SG 3.27Å; C35-C66 HydrophobicContact CB-CB 3.91Å; C35-C66 WeakPolarHBondContact CB-SG 3.49Å; C35-C66 WeakPolarHBondContact SG-CA 3.22Å; C35-C66 WeakPolarHBondContact SG-CB 3.19Å; C35-C66 CovalentContact SG-SG 2.03Å; C35-C66 PolarHBondContact SG-SG 3.25Å; C35-W68 HydrophobicContact CB-CZ2 4.26Å | ||
| 36 | G | 80.2 | Confident | 60.9 | Low | 22 Ų | 22 | 79.6 Ų | 79.6 | 23% | 0.227 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -74.9 | -7.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y49 H51 | G36-Y49 WeakPolarHBondContact CA-O 3Å; G36-Y49 PolarHBondContact N-O 2.04Å; G36-H51 WeakPolarHBondContact CA-O 3.05Å |
| 37 | S | 76.7 | Confident | 63.6 | Low | 24 Ų | 24 | 72.3 Ų | 72.3 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -147.1 | 154.8 | -179.5 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | C35 Y49 W68 | C35-S37 VanDerWaalsContact C-N 3.26Å; C35-S37 PolarHBondContact O-N 3.48Å; S37-Y49 PolarHBondContact OG-N 3.49Å; S37-W68 PolarHBondContact O-NE1 3.41Å |
| 38 | T | 75.3 | Confident | 66.6 | Low | 99 Ų | 99 | 66.5 Ų | 66.5 | 61% | 0.607 | 36% | 0.358 | S | S | * | . | trans | -68 | 140.3 | -176.4 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | F40 | T38-F40 VanDerWaalsContact C-N 3.26Å; T38-F40 PolarHBondContact O-N 3.03Å; T38-F40 VanDerWaalsContact O-N 3.14Å | ||
| 39 | P | 71.9 | Confident | 69.6 | Low | 51 Ų | 51 | 60.1 Ų | 60.1 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -67.5 | -18.2 | -169.8 | 25.6 | -35.5 | 0 | 0 | 0 | 115.4 | F67 W68 L69 | P39-F67 WeakPolarHBondContact CA-O 3.36Å; P39-F67 HydrophobicContact CB-CD2 4.02Å; P39-F67 HydrophobicContact CB-CE2 3.54Å; P39-F67 HydrophobicContact CB-CZ 3.99Å; P39-W68 CarbonylContact O-C 3.5Å; P39-W68 WeakPolarHBondContact O-CA 3.46Å; P39-L69 PolarHBondContact O-N 3.39Å |
| 40 | F | 71.4 | Confident | 72.6 | Confident | 82 Ų | 82 | 55.7 Ų | 55.7 | 36% | 0.36 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.9 | 176.5 | -60.1 | -74 | 0 | 0 | 0 | 110 | T38 F42 L69 | T38-F40 VanDerWaalsContact C-N 3.26Å; T38-F40 PolarHBondContact O-N 3.03Å; T38-F40 VanDerWaalsContact O-N 3.14Å; F40-F42 HydrophobicContact CB-CE2 3.81Å; F40-F42 HydrophobicContact CB-CZ 4.26Å; F40-L69 HydrophobicContact CD1-CB 4.14Å; F40-L69 HydrophobicContact CD1-CD2 4.16Å; F40-L69 HydrophobicContact CE1-CB 4.49Å; F40-L69 HydrophobicContact CE1-CD2 4.17Å |
| 41 | I | 78 | Confident | 75.3 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119.7 | -171.1 | -62.9 | 177.5 | 0 | 0 | 0 | 109.1 | I48 W68 L69 I70 H71 Y163 | I41-I48 HydrophobicContact CD1-CD1 3.7Å; I41-I48 HydrophobicContact CD1-CG1 3.77Å; I41-W68 HydrophobicContact CD1-CB 4.25Å; I41-L69 PolarHBondContact N-O 3.33Å; I41-I70 HydrophobicContact CB-CG1 4.23Å; I41-I70 HydrophobicContact CD1-CG1 4.29Å; I41-I70 HydrophobicContact CG2-CG1 4.36Å; I41-I70 HydrophobicContact CG2-CG2 4.16Å; I41-I70 WeakPolarHBondContact O-CA 3.44Å; I41-H71 PolarHBondContact O-N 3Å; I41-Y163 HydrophobicContact CG2-CE1 4.16Å; I41-Y163 HydrophobicContact CG2-CE2 3.97Å; I41-Y163 VanDerWaalsContact CG2-CZ 3.48Å; I41-Y163 WeakPolarHBondContact CG2-OH 3.44Å |
| 42 | F | 70.9 | Confident | 77.4 | Confident | 119 Ų | 119 | 48.7 Ų | 48.7 | 52% | 0.522 | 26% | 0.263 | S | S | . | . | trans | -124 | 2.7 | -177.4 | -58.2 | -78.2 | 0 | 0 | 0 | 113.6 | F40 H71 | F40-F42 HydrophobicContact CB-CE2 3.81Å; F40-F42 HydrophobicContact CB-CZ 4.26Å; F42-H71 HydrophobicContact CD1-CB 4.06Å; F42-H71 HydrophobicContact CE1-CB 4.08Å | ||
| 43 | S | 73.2 | Confident | 79.2 | Confident | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.161 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -75.8 | 147.8 | 171.8 | 39.8 | 0 | 0 | 0 | 0 | 110.3 | N45 Y163 | S43-N45 PolarHBondContact O-N 3.48Å; S43-N45 PolarHBondContact OG-O 2.03Å; S43-Y163 PolarHBondContact OG-OH 2.9Å |
| 44 | P | 75.2 | Confident | 80.8 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -70.5 | -21.2 | 179.4 | 29.4 | -33.9 | 0 | 0 | 0 | 112.4 | S164 A165 | P44-S164 CarbonylContact O-C 3.52Å; P44-S164 WeakPolarHBondContact O-CA 3.34Å; P44-A165 HydrophobicContact CB-CB 3.97Å; P44-A165 WeakPolarHBondContact O-CB 3.49Å; P44-A165 PolarHBondContact O-N 3.49Å |
| 45 | N | 81.3 | Confident | 80.9 | Confident | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 160.7 | 177.7 | 62.5 | -38.4 | 0 | 0 | 0 | 110.9 | S43 R162 Y163 | S43-N45 PolarHBondContact O-N 3.48Å; S43-N45 PolarHBondContact OG-O 2.03Å; N45-R162 PolarHBondContact ND2-NH2 3.27Å; N45-Y163 VanDerWaalsContact C-CE2 3.48Å; N45-Y163 VanDerWaalsContact C-CZ 3.49Å; N45-Y163 WeakPolarHBondContact CA-O 3.34Å; N45-Y163 PolarHBondContact O-OH 3.05Å |
| 46 | G | 80.5 | Confident | 80.7 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 6% | 0.062 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | -173 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R162 Y163 | G46-R162 VanDerWaalsContact CA-NH1 3.28Å; G46-R162 PolarHBondContact O-NH1 3.26Å; G46-Y163 VanDerWaalsContact CA-CE1 3.47Å; G46-Y163 VanDerWaalsContact N-CZ 3.35Å; G46-Y163 PolarHBondContact N-O 2.94Å; G46-Y163 WeakPolarHBondContact O-CD1 3.01Å; G46-Y163 WeakPolarHBondContact O-CE1 3.46Å; G46-Y163 PolarHBondContact O-N 2.68Å |
| 47 | N | 88.3 | Confident | 80.8 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.8 | 175.6 | -68.5 | 6 | 0 | 0 | 0 | 109.9 | Y49 N160 L161 R162 F210 | N47-Y49 HydrophobicContact CB-CE1 3.97Å; N47-N160 WeakPolarHBondContact CB-OD1 3.3Å; N47-L161 CarbonylContact C-O 3.57Å; N47-L161 VanDerWaalsContact CA-O 3.3Å; N47-L161 WeakPolarHBondContact CA-O 3.44Å; N47-R162 VanDerWaalsContact OD1-CD 3.3Å; N47-R162 WeakPolarHBondContact OD1-CD 3.36Å; N47-R162 PolarHBondContact OD1-NH1 3.5Å; N47-F210 WeakPolarHBondContact OD1-CD1 3.39Å |
| 48 | I | 90.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119.4 | 170 | -60.3 | 175.6 | 0 | 0 | 0 | 107.9 | I41 W68 I70 L146 L161 Y163 | I41-I48 HydrophobicContact CD1-CD1 3.7Å; I41-I48 HydrophobicContact CD1-CG1 3.77Å; I48-W68 HydrophobicContact CD1-CB 4.25Å; I48-W68 HydrophobicContact CD1-CG 4.48Å; I48-W68 HydrophobicContact CG2-CD2 3.52Å; I48-W68 HydrophobicContact CG2-CE3 3.86Å; I48-W68 HydrophobicContact CG2-CG 3.88Å; I48-W68 HydrophobicContact CG2-CH2 4.27Å; I48-W68 HydrophobicContact CG2-CZ2 4Å; I48-W68 HydrophobicContact CG2-CZ3 4.21Å; I48-I70 HydrophobicContact CD1-CD1 3.77Å; I48-I70 HydrophobicContact CD1-CG1 4.21Å; I48-L146 HydrophobicContact CD1-CD1 4.24Å; I48-L146 HydrophobicContact CD1-CD2 4.39Å; I48-L161 HydrophobicContact CB-CB 4.31Å; I48-L161 PolarHBondContact N-O 3.05Å; I48-L161 PolarHBondContact O-N 3.24Å; I48-Y163 HydrophobicContact CD1-CD1 4.06Å; I48-Y163 HydrophobicContact CD1-CE1 4.34Å; I48-Y163 HydrophobicContact CG1-CD1 3.93Å; I48-Y163 HydrophobicContact CG1-CE1 3.97Å |
| 49 | Y | 91.4 | Very high | 81.7 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 14% | 0.137 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 133.8 | 178.7 | -53.9 | -54.6 | 0 | 0 | 0 | 110.9 | G36 S37 N47 H51 Y54 E55 W68 N160 | G36-Y49 WeakPolarHBondContact CA-O 3Å; G36-Y49 PolarHBondContact N-O 2.04Å; S37-Y49 PolarHBondContact OG-N 3.49Å; N47-Y49 HydrophobicContact CB-CE1 3.97Å; Y49-H51 PolarHBondContact O-N 2.83Å; Y49-Y54 AromaticContact CD1-CD1 3.48Å; Y49-Y54 HydrophobicContact CD1-CD1 3.48Å; Y49-Y54 VanDerWaalsContact CD1-CD1 3.48Å; Y49-Y54 AromaticContact CD1-CE1 3.83Å; Y49-Y54 HydrophobicContact CD1-CE1 3.83Å; Y49-Y54 HydrophobicContact CD1-CG 4.43Å; Y49-Y54 HydrophobicContact CE1-CD1 4.09Å; Y49-Y54 HydrophobicContact CE1-CE1 4.21Å; Y49-Y54 HydrophobicContact CG-CD1 4.03Å; Y49-E55 HydrophobicContact CD2-CG 3.95Å; Y49-E55 HydrophobicContact CE1-CG 4.27Å; Y49-E55 VanDerWaalsContact CE2-CD 3.43Å; Y49-E55 HydrophobicContact CE2-CG 3.53Å; Y49-E55 WeakPolarHBondContact CE2-OE1 3.1Å; Y49-E55 HydrophobicContact CG-CG 4.46Å; Y49-E55 PolarHBondContact OH-OE1 2.86Å; Y49-W68 WeakPolarHBondContact O-CZ2 3.23Å; Y49-N160 HydrophobicContact CD1-CB 4.18Å; Y49-N160 HydrophobicContact CE1-CB 4.28Å; Y49-N160 WeakPolarHBondContact CE1-OD1 3.21Å |
| 50 | S | 91.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -47.9 | -51.2 | 177.6 | 52 | 0 | 0 | 0 | 0 | 113.8 | F159 | S50-F159 PolarHBondContact N-O 3.2Å; S50-F159 VanDerWaalsContact N-O 3.09Å; S50-F159 PolarHBondContact OG-N 2.93Å; S50-F159 PolarHBondContact OG-O 2.91Å |
| 51 | H | 88.5 | Confident | 82.9 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.046 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -149 | 162.4 | -171.1 | 71.3 | -76.5 | 0 | 0 | 0 | 113 | E34 G36 Y49 G53 Y54 L58 Y60 I64 | E34-H51 CarbonylContact O-C 3.37Å; E34-H51 VanDerWaalsContact O-CA 3.25Å; E34-H51 WeakPolarHBondContact O-CA 3.49Å; G36-H51 WeakPolarHBondContact CA-O 3.05Å; Y49-H51 PolarHBondContact O-N 2.83Å; H51-G53 PolarHBondContact O-N 2.72Å; H51-Y54 WeakPolarHBondContact O-CB 3.04Å; H51-Y54 PolarHBondContact O-N 2.71Å; H51-L58 PolarHBondContact CE1-O 2.82Å; H51-L58 VanDerWaalsContact CE1-O 3.23Å; H51-L58 PolarHBondContact NE2-O 2.82Å; H51-Y60 AromaticContact ND1-CD1 3.88Å; H51-I64 HydrophobicContact CB-CD1 3.78Å |
| 52 | K | 84.3 | Confident | 82.8 | Confident | 125 Ų | 125 | 56 Ų | 56 | 54% | 0.543 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 120 | 174.4 | -79.3 | -178.1 | 175.8 | 162.9 | 0 | 109.8 | T33 E34 | T33-K52 WeakPolarHBondContact O-CD 3.39Å; T33-K52 WeakPolarHBondContact O-CE 3.19Å; T33-K52 PolarHBondContact O-NZ 2.99Å; T33-K52 PolarHBondContact OG1-NZ 2.71Å; E34-K52 PolarHBondContact O-N 3.23Å |
| 53 | G | 82.2 | Confident | 83.4 | Confident | 22 Ų | 22 | 57 Ų | 57 | 23% | 0.227 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110.9 | -14.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H51 E55 K56 L58 | H51-G53 PolarHBondContact O-N 2.72Å; G53-E55 VanDerWaalsContact C-N 3.31Å; G53-E55 PolarHBondContact O-N 2.84Å; G53-K56 WeakPolarHBondContact O-CA 3.39Å; G53-K56 WeakPolarHBondContact O-CB 3.23Å; G53-K56 PolarHBondContact O-N 2.68Å; G53-L58 PolarHBondContact O-N 3.38Å |
| 54 | Y | 86.4 | Confident | 84.1 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 13% | 0.129 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -48.5 | -48.3 | 174.7 | 178.9 | -88.6 | 0 | 0 | 0 | 112.9 | Y49 H51 K56 Q57 D84 N157 N160 | Y49-Y54 AromaticContact CD1-CD1 3.48Å; Y49-Y54 HydrophobicContact CD1-CD1 3.48Å; Y49-Y54 VanDerWaalsContact CD1-CD1 3.48Å; Y49-Y54 AromaticContact CD1-CE1 3.83Å; Y49-Y54 HydrophobicContact CD1-CE1 3.83Å; Y49-Y54 HydrophobicContact CD1-CG 4.43Å; Y49-Y54 HydrophobicContact CE1-CD1 4.09Å; Y49-Y54 HydrophobicContact CE1-CE1 4.21Å; Y49-Y54 HydrophobicContact CG-CD1 4.03Å; H51-Y54 WeakPolarHBondContact O-CB 3.04Å; H51-Y54 PolarHBondContact O-N 2.71Å; Y54-K56 PolarHBondContact O-N 2.79Å; Y54-Q57 PolarHBondContact O-N 2.81Å; Y54-D84 WeakPolarHBondContact OH-CB 3.16Å; Y54-D84 PolarHBondContact OH-OD2 3.04Å; Y54-N157 WeakPolarHBondContact CD2-O 3.04Å; Y54-N157 WeakPolarHBondContact CE2-O 3.18Å; Y54-N160 HydrophobicContact CE1-CB 3.68Å; Y54-N160 WeakPolarHBondContact OH-CB 3.38Å |
| 55 | E | 77.8 | Confident | 84.7 | Confident | 122 Ų | 122 | 59.3 Ų | 59.3 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -60.8 | -15.6 | 177.5 | -63.7 | -172.6 | 122.4 | 0 | 0 | 114.5 | Y49 G53 | Y49-E55 HydrophobicContact CD2-CG 3.95Å; Y49-E55 HydrophobicContact CE1-CG 4.27Å; Y49-E55 VanDerWaalsContact CE2-CD 3.43Å; Y49-E55 HydrophobicContact CE2-CG 3.53Å; Y49-E55 WeakPolarHBondContact CE2-OE1 3.1Å; Y49-E55 HydrophobicContact CG-CG 4.46Å; Y49-E55 PolarHBondContact OH-OE1 2.86Å; G53-E55 VanDerWaalsContact C-N 3.31Å; G53-E55 PolarHBondContact O-N 2.84Å |
| 56 | K | 78.4 | Confident | 85.1 | Confident | 170 Ų | 170 | 58.6 Ų | 58.6 | 74% | 0.739 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -98.7 | 11.7 | 175.6 | -59.2 | 179.3 | -178.1 | 174.1 | 0 | 112.6 | G53 Y54 L58 | G53-K56 WeakPolarHBondContact O-CA 3.39Å; G53-K56 WeakPolarHBondContact O-CB 3.23Å; G53-K56 PolarHBondContact O-N 2.68Å; Y54-K56 PolarHBondContact O-N 2.79Å; K56-L58 HydrophobicContact CB-CD1 4.34Å; K56-L58 HydrophobicContact CB-CG 4.14Å; K56-L58 PolarHBondContact O-N 3.02Å |
| 57 | Q | 82 | Confident | 85.5 | Confident | 184 Ų | 184 | 61.1 Ų | 61.1 | 86% | 0.86 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 33.8 | -174 | -58 | 178.4 | -28.4 | 0 | 0 | 112.6 | Y54 | Y54-Q57 PolarHBondContact O-N 2.81Š|
| 58 | L | 85 | Confident | 85.5 | Confident | 97 Ų | 97 | 60 Ų | 60 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -85.2 | 135 | 167.1 | -59.3 | 175.4 | 0 | 0 | 0 | 107.9 | H51 G53 K56 | H51-L58 PolarHBondContact CE1-O 2.82Å; H51-L58 VanDerWaalsContact CE1-O 3.23Å; H51-L58 PolarHBondContact NE2-O 2.82Å; G53-L58 PolarHBondContact O-N 3.38Å; K56-L58 HydrophobicContact CB-CD1 4.34Å; K56-L58 HydrophobicContact CB-CG 4.14Å; K56-L58 PolarHBondContact O-N 3.02Å |
| 59 | A | 87.2 | Confident | 85.2 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 150.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | K155 H156 | A59-K155 HydrophobicContact CB-CB 4.09Å; A59-H156 VanDerWaalsContact CA-O 3.26Å; A59-H156 WeakPolarHBondContact CA-O 3.27Å; A59-H156 VanDerWaalsContact CB-O 3.24Å; A59-H156 WeakPolarHBondContact CB-O 3.43Å |
| 60 | Y | 87.2 | Confident | 84.9 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 157.5 | 167.2 | 66.6 | -86.8 | 0 | 0 | 0 | 110.6 | H51 I64 L87 D97 F148 A150 K155 H156 | H51-Y60 AromaticContact ND1-CD1 3.88Å; Y60-I64 HydrophobicContact CD2-CD1 4.26Å; Y60-I64 HydrophobicContact CG-CD1 4.14Å; Y60-L87 HydrophobicContact CE1-CD2 4.13Å; Y60-L87 VanDerWaalsContact OH-CD2 3.29Å; Y60-L87 WeakPolarHBondContact OH-CD2 3.22Å; Y60-D97 PolarHBondContact OH-OD2 2.86Å; Y60-F148 HydrophobicContact CE1-CZ 4.33Å; Y60-A150 HydrophobicContact CD2-CB 4.14Å; Y60-A150 HydrophobicContact CE2-CB 3.59Å; Y60-K155 WeakPolarHBondContact O-CA 3.44Å; Y60-H156 HydrophobicContact CD1-CB 4.4Å; Y60-H156 WeakPolarHBondContact CD1-O 3.5Å; Y60-H156 HydrophobicContact CE1-CB 3.6Å; Y60-H156 WeakPolarHBondContact CE1-O 3.37Å; Y60-H156 HydrophobicContact CE2-CB 4.32Å; Y60-H156 PolarHBondContact N-O 3.17Å; Y60-H156 WeakPolarHBondContact OH-CB 3.38Å |
| 61 | D | 80.3 | Confident | 84.4 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 97.6 | -176 | -169.4 | -4.9 | 0 | 0 | 0 | 108.1 | K155 | D61-K155 HydrophobicContact CB-CG 4.29Å; D61-K155 VanDerWaalsContact CG-CE 3.45Å; D61-K155 WeakPolarHBondContact OD2-CE 3.34Å; D61-K155 IonicContact OD2-NZ 3.49Å; D61-K155 PolarHBondContact OD2-NZ 2.87Å |
| 62 | G | 76.5 | Confident | 84.2 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 19% | 0.186 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 107.7 | -162.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I64 | G62-I64 PolarHBondContact O-N 2.9Š|
| 63 | L | 83.2 | Confident | 83.9 | Confident | 140 Ų | 140 | 59.3 Ų | 59.3 | 73% | 0.733 | 30% | 0.303 | S | S | * | . | trans | -78.8 | 110.5 | -165.7 | -55.7 | -178.5 | 0 | 0 | 0 | 112.5 | R151 | L63-R151 HydrophobicContact CD2-CB 4.38Š| ||
| 64 | I | 87.5 | Confident | 83.6 | Confident | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | trans | -118.9 | 136 | 176.5 | -62.1 | -177.5 | 0 | 0 | 0 | 109.7 | H51 Y60 G62 C66 F148 K149 A150 | H51-I64 HydrophobicContact CB-CD1 3.78Å; Y60-I64 HydrophobicContact CD2-CD1 4.26Å; Y60-I64 HydrophobicContact CG-CD1 4.14Å; G62-I64 PolarHBondContact O-N 2.9Å; I64-C66 WeakPolarHBondContact CG2-SG 3.26Å; I64-F148 HydrophobicContact CB-CE1 4.31Å; I64-F148 HydrophobicContact CG2-CD1 4.19Å; I64-F148 HydrophobicContact CG2-CE1 3.97Å; I64-K149 CarbonylContact O-C 3.58Å; I64-K149 WeakPolarHBondContact O-CA 3.27Å; I64-A150 HydrophobicContact CB-CB 4.11Å; I64-A150 PolarHBondContact N-O 3.29Å; I64-A150 PolarHBondContact O-N 2.84Å | ||
| 65 | Q | 88.3 | Confident | 83.3 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 114.7 | 168.3 | -177.9 | 170.5 | -52.5 | 0 | 0 | 110.3 | F148 K149 | Q65-F148 WeakPolarHBondContact CA-O 3.28Å; Q65-K149 HydrophobicContact CG-CG 4.14Å |
| 66 | C | 90.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152 | -177.1 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | C35 I64 W68 F148 | C35-C66 WeakPolarHBondContact CA-SG 3.27Å; C35-C66 HydrophobicContact CB-CB 3.91Å; C35-C66 WeakPolarHBondContact CB-SG 3.49Å; C35-C66 WeakPolarHBondContact SG-CA 3.22Å; C35-C66 WeakPolarHBondContact SG-CB 3.19Å; C35-C66 CovalentContact SG-SG 2.03Å; C35-C66 PolarHBondContact SG-SG 3.25Å; I64-C66 WeakPolarHBondContact CG2-SG 3.26Å; C66-W68 HydrophobicContact CB-CH2 3.37Å; C66-W68 HydrophobicContact CB-CZ2 3.59Å; C66-W68 HydrophobicContact CB-CZ3 3.9Å; C66-F148 HydrophobicContact CB-CB 4.36Å; C66-F148 HydrophobicContact CB-CD1 4.32Å; C66-F148 PolarHBondContact N-O 2.95Å; C66-F148 PolarHBondContact O-N 2.85Å |
| 67 | F | 88.6 | Confident | 84.4 | Confident | 59 Ų | 59 | 57.3 Ų | 57.3 | 26% | 0.259 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 149 | 174.3 | 67 | -91.9 | 0 | 0 | 0 | 111 | F22 P39 F145 L146 | F22-F67 HydrophobicContact CE2-CE1 4.42Å; P39-F67 WeakPolarHBondContact CA-O 3.36Å; P39-F67 HydrophobicContact CB-CD2 4.02Å; P39-F67 HydrophobicContact CB-CE2 3.54Å; P39-F67 HydrophobicContact CB-CZ 3.99Å; F67-F145 HydrophobicContact CB-CE2 3.87Å; F67-F145 HydrophobicContact CB-CZ 3.93Å; F67-F145 AromaticContact CD2-CE2 3.9Å; F67-F145 HydrophobicContact CD2-CE2 3.9Å; F67-F145 HydrophobicContact CD2-CZ 4.47Å; F67-F145 HydrophobicContact CG-CE2 4.24Å; F67-F145 HydrophobicContact CG-CZ 4.43Å; F67-L146 CarbonylContact C-O 3.53Å; F67-L146 WeakPolarHBondContact CA-O 3.43Å |
| 68 | W | 88.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 124.1 | 178.2 | -58.6 | -80.1 | 0 | 0 | 0 | 110.2 | C35 S37 P39 I41 I48 Y49 C66 F145 L146 F148 F159 | C35-W68 HydrophobicContact CB-CZ2 4.26Å; S37-W68 PolarHBondContact O-NE1 3.41Å; P39-W68 CarbonylContact O-C 3.5Å; P39-W68 WeakPolarHBondContact O-CA 3.46Å; I41-W68 HydrophobicContact CD1-CB 4.25Å; I48-W68 HydrophobicContact CD1-CB 4.25Å; I48-W68 HydrophobicContact CD1-CG 4.48Å; I48-W68 HydrophobicContact CG2-CD2 3.52Å; I48-W68 HydrophobicContact CG2-CE3 3.86Å; I48-W68 HydrophobicContact CG2-CG 3.88Å; I48-W68 HydrophobicContact CG2-CH2 4.27Å; I48-W68 HydrophobicContact CG2-CZ2 4Å; I48-W68 HydrophobicContact CG2-CZ3 4.21Å; Y49-W68 WeakPolarHBondContact O-CZ2 3.23Å; C66-W68 HydrophobicContact CB-CH2 3.37Å; C66-W68 HydrophobicContact CB-CZ2 3.59Å; C66-W68 HydrophobicContact CB-CZ3 3.9Å; W68-F145 CarbonylContact O-C 3.52Å; W68-F145 WeakPolarHBondContact O-CA 3.36Å; W68-L146 HydrophobicContact CB-CB 4.41Å; W68-L146 HydrophobicContact CB-CD1 4.44Å; W68-L146 HydrophobicContact CE3-CB 4.08Å; W68-L146 PolarHBondContact N-O 3.41Å; W68-L146 PolarHBondContact O-N 3.36Å; W68-F148 HydrophobicContact CH2-CB 4.06Å; W68-F148 HydrophobicContact CH2-CD1 4.31Å; W68-F148 HydrophobicContact CZ3-CB 3.67Å; W68-F159 HydrophobicContact CH2-CE2 4.18Å; W68-F159 AromaticContact CH2-CZ 3.96Å; W68-F159 HydrophobicContact CH2-CZ 3.96Å; W68-F159 HydrophobicContact CZ3-CE2 4.24Å; W68-F159 AromaticContact CZ3-CZ 3.92Å; W68-F159 HydrophobicContact CZ3-CZ 3.92Å |
| 69 | L | 83.5 | Confident | 85.3 | Confident | 25 Ų | 25 | 44 Ų | 44 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 111.6 | 171.6 | -178.7 | 64.2 | 0 | 0 | 0 | 109.2 | I14 P39 F40 I41 F145 | I14-L69 HydrophobicContact CG2-CD2 3.91Å; P39-L69 PolarHBondContact O-N 3.39Å; F40-L69 HydrophobicContact CD1-CB 4.14Å; F40-L69 HydrophobicContact CD1-CD2 4.16Å; F40-L69 HydrophobicContact CE1-CB 4.49Å; F40-L69 HydrophobicContact CE1-CD2 4.17Å; I41-L69 PolarHBondContact N-O 3.33Å; L69-F145 HydrophobicContact CB-CD2 4.16Å; L69-F145 HydrophobicContact CD1-CB 4.17Å; L69-F145 HydrophobicContact CD1-CD2 4.26Å |
| 70 | I | 86.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 132.3 | 173.3 | -48.4 | 176.7 | 0 | 0 | 0 | 108.5 | I41 I48 V72 I78 I80 Q143 L144 L146 Y163 | I41-I70 HydrophobicContact CB-CG1 4.23Å; I41-I70 HydrophobicContact CD1-CG1 4.29Å; I41-I70 HydrophobicContact CG2-CG1 4.36Å; I41-I70 HydrophobicContact CG2-CG2 4.16Å; I41-I70 WeakPolarHBondContact O-CA 3.44Å; I48-I70 HydrophobicContact CD1-CD1 3.77Å; I48-I70 HydrophobicContact CD1-CG1 4.21Å; I70-V72 HydrophobicContact CG2-CG1 4.14Å; I70-I78 HydrophobicContact CB-CD1 3.97Å; I70-I78 HydrophobicContact CD1-CG2 4.37Å; I70-I78 HydrophobicContact CG2-CD1 3.69Å; I70-I78 HydrophobicContact CG2-CG1 4.36Å; I70-I80 HydrophobicContact CD1-CD1 3.71Å; I70-Q143 CarbonylContact O-C 3.57Å; I70-Q143 VanDerWaalsContact O-CA 3.29Å; I70-Q143 WeakPolarHBondContact O-CA 3.16Å; I70-L144 HydrophobicContact CB-CB 4.36Å; I70-L144 HydrophobicContact CD1-CD2 4.49Å; I70-L144 PolarHBondContact N-O 2.94Å; I70-L144 PolarHBondContact O-N 2.88Å; I70-L146 HydrophobicContact CD1-CD1 3.8Å; I70-L146 HydrophobicContact CG1-CD1 4.08Å; I70-Y163 HydrophobicContact CD1-CD1 4.27Å; I70-Y163 HydrophobicContact CD1-CD2 4.23Å; I70-Y163 HydrophobicContact CD1-CG 4Å; I70-Y163 HydrophobicContact CG2-CD2 4.26Å; I70-Y163 HydrophobicContact CG2-CE2 4.26Å |
| 71 | H | 81.1 | Confident | 85.9 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 21% | 0.213 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 114.9 | 175.4 | -171.3 | 178.9 | 0 | 0 | 0 | 109.9 | I41 F42 N142 Q143 | I41-H71 PolarHBondContact O-N 3Å; F42-H71 HydrophobicContact CD1-CB 4.06Å; F42-H71 HydrophobicContact CE1-CB 4.08Å; H71-N142 PolarHBondContact CD2-ND2 3.19Å; H71-N142 VanDerWaalsContact CD2-ND2 3.27Å; H71-N142 PolarHBondContact NE2-ND2 3.4Å; H71-Q143 HydrophobicContact CB-CG 4.32Å; H71-Q143 PolarHBondContact CE1-NE2 2.75Å; H71-Q143 PolarHBondContact NE2-NE2 3.45Å; H71-Q143 VanDerWaalsContact NE2-NE2 3.15Å |
| 72 | V | 83.2 | Confident | 86.4 | Confident | 11 Ų | 11 | 37.3 Ų | 37.3 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | trans | -111.9 | -179.8 | 180 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | I70 D76 I78 N142 A165 | I70-V72 HydrophobicContact CG2-CG1 4.14Å; V72-D76 HydrophobicContact CG2-CB 4.04Å; V72-I78 HydrophobicContact CB-CG1 4.45Å; V72-I78 HydrophobicContact CG1-CD1 4.25Å; V72-I78 HydrophobicContact CG1-CG1 3.95Å; V72-I78 HydrophobicContact CG2-CD1 4.13Å; V72-I78 HydrophobicContact CG2-CG1 3.62Å; V72-N142 HydrophobicContact CG2-CB 4.04Å; V72-N142 WeakPolarHBondContact CG2-O 3.25Å; V72-N142 PolarHBondContact N-O 3.08Å; V72-N142 PolarHBondContact O-ND2 2.79Å; V72-A165 HydrophobicContact CB-CB 4.01Å; V72-A165 HydrophobicContact CG1-CB 3.96Å; V72-A165 HydrophobicContact CG2-CB 4.18Å | ||
| 73 | N | 78 | Confident | 86.9 | Confident | 73 Ų | 73 | 37.7 Ų | 37.7 | 39% | 0.39 | 19% | 0.193 | S | C | . | . | trans | -58.5 | 145.7 | -177 | -54.1 | -61.1 | 0 | 0 | 0 | 111.5 | Q75 D76 N142 | N73-Q75 PolarHBondContact O-N 2.85Å; N73-D76 WeakPolarHBondContact CB-OD2 3.32Å; N73-D76 PolarHBondContact ND2-OD2 2.58Å; N73-D76 PolarHBondContact O-N 3.11Å; N73-N142 WeakPolarHBondContact O-CB 3.46Å | ||
| 74 | P | 75.6 | Confident | 87.2 | Confident | 87 Ų | 87 | 34.2 Ų | 34.2 | 57% | 0.565 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -8.1 | -178.6 | -26.6 | 35.3 | 0 | 0 | 0 | 117.1 | ||
| 75 | Q | 81.2 | Confident | 87.4 | Confident | 159 Ų | 159 | 34.1 Ų | 34.1 | 74% | 0.743 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -12.2 | 177.3 | -63.6 | -175.1 | -9.6 | 0 | 0 | 113.2 | N73 N168 | N73-Q75 PolarHBondContact O-N 2.85Å; Q75-N168 PolarHBondContact O-ND2 2.83Å |
| 76 | D | 87.7 | Confident | 87.5 | Confident | 36 Ų | 36 | 31.1 Ų | 31.1 | 19% | 0.193 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 154.9 | -175.9 | -60.9 | -42.8 | 0 | 0 | 0 | 110.6 | V72 N73 N142 A165 | V72-D76 HydrophobicContact CG2-CB 4.04Å; N73-D76 WeakPolarHBondContact CB-OD2 3.32Å; N73-D76 PolarHBondContact ND2-OD2 2.58Å; N73-D76 PolarHBondContact O-N 3.11Å; D76-N142 WeakPolarHBondContact O-CA 3.49Å; D76-N142 VanDerWaalsContact O-CB 3.26Å; D76-N142 WeakPolarHBondContact O-CB 3.37Å; D76-A165 HydrophobicContact CB-CB 4.08Å |
| 77 | R | 91.5 | Very high | 87.6 | Confident | 24 Ų | 24 | 31.2 Ų | 31.2 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 152.6 | 174.6 | -67.8 | 174.2 | 59 | -178.4 | 1.9 | 109.7 | L138 S139 A165 I166 N168 A171 E175 | R77-L138 HydrophobicContact CB-CD1 4.32Å; R77-S139 VanDerWaalsContact CZ-O 3.27Å; R77-S139 PolarHBondContact NE-O 2.71Å; R77-S139 PolarHBondContact NH2-O 2.55Å; R77-A165 CarbonylContact O-C 3.53Å; R77-A165 WeakPolarHBondContact O-CA 3.09Å; R77-I166 PolarHBondContact N-O 3.2Å; R77-I166 WeakPolarHBondContact O-CG1 3.48Å; R77-I166 PolarHBondContact O-N 2.81Å; R77-N168 VanDerWaalsContact CD-OD1 3.28Å; R77-N168 WeakPolarHBondContact CD-OD1 3.36Å; R77-A171 HydrophobicContact CB-CB 4.48Å; R77-E175 IonicContact CZ-OE1 3.27Å; R77-E175 IonicContact CZ-OE2 3.91Å; R77-E175 IonicContact NH1-OE1 3.96Å; R77-E175 PolarHBondContact NH1-OE1 3.43Å; R77-E175 IonicContact NH1-OE2 3.72Å; R77-E175 PolarHBondContact NH1-OE2 2.79Å; R77-E175 IonicContact NH2-OE1 3.57Å; R77-E175 PolarHBondContact NH2-OE1 3.12Å |
| 78 | I | 92.2 | Very high | 87.6 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.3 | -177.1 | -59.4 | 162.5 | 0 | 0 | 0 | 110.2 | I70 V72 I80 S139 L144 | I70-I78 HydrophobicContact CB-CD1 3.97Å; I70-I78 HydrophobicContact CD1-CG2 4.37Å; I70-I78 HydrophobicContact CG2-CD1 3.69Å; I70-I78 HydrophobicContact CG2-CG1 4.36Å; V72-I78 HydrophobicContact CB-CG1 4.45Å; V72-I78 HydrophobicContact CG1-CD1 4.25Å; V72-I78 HydrophobicContact CG1-CG1 3.95Å; V72-I78 HydrophobicContact CG2-CD1 4.13Å; V72-I78 HydrophobicContact CG2-CG1 3.62Å; I78-I80 HydrophobicContact CG2-CD1 4.5Å; I78-I80 HydrophobicContact CG2-CG1 4.04Å; I78-S139 WeakPolarHBondContact O-CB 3.04Å; I78-S139 PolarHBondContact O-N 3.36Å; I78-L144 HydrophobicContact CD1-CB 3.82Å; I78-L144 HydrophobicContact CG2-CB 4.47Å; I78-L144 HydrophobicContact CG2-CD2 4.08Å |
| 79 | I | 93.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.1 | 167.8 | -165 | 156.5 | 0 | 0 | 0 | 109.9 | R136 V137 L138 Y163 S164 I166 V174 L202 W205 | I79-R136 HydrophobicContact CG1-CG 4.25Å; I79-V137 CarbonylContact C-O 3.49Å; I79-V137 WeakPolarHBondContact CA-O 3.17Å; I79-L138 HydrophobicContact CB-CD1 4.18Å; I79-Y163 CarbonylContact O-C 3.54Å; I79-Y163 WeakPolarHBondContact O-CA 3.38Å; I79-S164 WeakPolarHBondContact CG2-O 3.28Å; I79-S164 PolarHBondContact N-O 2.99Å; I79-S164 PolarHBondContact O-N 2.73Å; I79-I166 HydrophobicContact CB-CD1 4.06Å; I79-I166 HydrophobicContact CB-CG1 4.45Å; I79-I166 HydrophobicContact CD1-CD1 4.08Å; I79-I166 HydrophobicContact CG2-CD1 4.23Å; I79-I166 HydrophobicContact CG2-CG1 4.42Å; I79-I166 HydrophobicContact CG2-CG2 3.77Å; I79-V174 HydrophobicContact CD1-CB 4.46Å; I79-V174 HydrophobicContact CD1-CG1 3.82Å; I79-V174 HydrophobicContact CD1-CG2 4.17Å; I79-L202 HydrophobicContact CD1-CD1 3.76Å; I79-L202 HydrophobicContact CD1-CD2 4.3Å; I79-L202 HydrophobicContact CG1-CD1 4.23Å; I79-L202 HydrophobicContact CG2-CD1 3.74Å; I79-W205 HydrophobicContact CG2-CZ2 4.09Å |
| 80 | I | 93.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.5 | 177.1 | -61.4 | -153.4 | 0 | 0 | 0 | 110.2 | I70 I78 R136 V137 L144 L146 L161 R162 | I70-I80 HydrophobicContact CD1-CD1 3.71Å; I78-I80 HydrophobicContact CG2-CD1 4.5Å; I78-I80 HydrophobicContact CG2-CG1 4.04Å; I80-R136 CarbonylContact O-C 3.49Å; I80-R136 WeakPolarHBondContact O-CA 3.43Å; I80-R136 WeakPolarHBondContact O-CG 3.44Å; I80-V137 PolarHBondContact N-O 2.92Å; I80-V137 PolarHBondContact O-N 2.84Å; I80-L144 HydrophobicContact CD1-CD2 3.35Å; I80-L144 HydrophobicContact CG1-CD2 3.78Å; I80-L146 HydrophobicContact CD1-CD1 4.11Å; I80-L146 HydrophobicContact CD1-CD2 4Å; I80-L161 HydrophobicContact CG2-CB 4.05Å; I80-R162 CarbonylContact C-O 3.58Å; I80-R162 VanDerWaalsContact CA-O 3.23Å; I80-R162 WeakPolarHBondContact CA-O 3.48Å |
| 81 | Q | 92.3 | Very high | 86.4 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 143.4 | 169 | 177.1 | 167.3 | -47.6 | 0 | 0 | 110.3 | V83 F135 R136 L161 R162 I181 C200 W205 | Q81-V83 PolarHBondContact O-N 3.18Å; Q81-F135 WeakPolarHBondContact CA-O 3.45Å; Q81-R136 HydrophobicContact CB-CB 4.36Å; Q81-R136 HydrophobicContact CB-CG 4.34Å; Q81-L161 CarbonylContact O-C 3.59Å; Q81-L161 WeakPolarHBondContact O-CA 3.44Å; Q81-R162 PolarHBondContact N-O 3.07Å; Q81-R162 PolarHBondContact O-N 3.08Å; Q81-I181 HydrophobicContact CG-CD1 4.29Å; Q81-C200 PolarHBondContact NE2-O 2.9Å; Q81-W205 HydrophobicContact CB-CH2 3.49Å; Q81-W205 VanDerWaalsContact CB-CH2 3.49Å; Q81-W205 HydrophobicContact CB-CZ3 3.57Å; Q81-W205 HydrophobicContact CG-CZ3 4.2Å |
| 82 | S | 91.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 120.9 | 165 | 57.6 | 0 | 0 | 0 | 0 | 110.4 | S134 F135 | S82-S134 WeakPolarHBondContact OG-CA 3.39Å; S82-S134 WeakPolarHBondContact OG-CB 3.34Å; S82-F135 PolarHBondContact N-O 3.03Å; S82-F135 PolarHBondContact OG-N 3.27Å; S82-F135 PolarHBondContact OG-O 2.74Å |
| 83 | V | 87.9 | Confident | 86.3 | Confident | 26 Ų | 26 | 46 Ų | 46 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -43.7 | 167.5 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | Q81 N160 R162 Q199 S211 D212 | Q81-V83 PolarHBondContact O-N 3.18Å; V83-N160 HydrophobicContact CB-CB 4.32Å; V83-N160 PolarHBondContact N-O 3.07Å; V83-R162 HydrophobicContact CG2-CB 3.73Å; V83-Q199 PolarHBondContact O-NE2 3.06Å; V83-S211 WeakPolarHBondContact CG1-O 3.24Å; V83-D212 WeakPolarHBondContact CG2-OD1 3.35Å |
| 84 | D | 88.9 | Confident | 86.7 | Confident | 68 Ų | 68 | 42.8 Ų | 42.8 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 144.9 | 176.5 | 175.1 | 44.6 | 0 | 0 | 0 | 108.9 | Y54 F159 N160 | Y54-D84 WeakPolarHBondContact OH-CB 3.16Å; Y54-D84 PolarHBondContact OH-OD2 3.04Å; D84-F159 WeakPolarHBondContact O-CA 3.3Å; D84-F159 WeakPolarHBondContact O-CB 3.18Å; D84-N160 PolarHBondContact N-O 3.17Å; D84-N160 PolarHBondContact O-N 3.08Å; D84-N160 VanDerWaalsContact O-N 3.08Å |
| 85 | F | 91.2 | Very high | 87.2 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 4% | 0.044 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 110.6 | -171.7 | -160.6 | -102.3 | 0 | 0 | 0 | 112.3 | L87 L99 G131 L132 F135 F159 L161 | F85-L87 HydrophobicContact CE1-CD1 4.31Å; F85-L87 HydrophobicContact CE1-CG 4.34Å; F85-L87 HydrophobicContact CE2-CD1 3.9Å; F85-L87 HydrophobicContact CE2-CG 4.19Å; F85-L87 HydrophobicContact CZ-CD1 3.53Å; F85-L87 HydrophobicContact CZ-CG 3.93Å; F85-L99 HydrophobicContact CE2-CB 4.46Å; F85-L99 HydrophobicContact CE2-CD2 3.87Å; F85-L99 HydrophobicContact CZ-CB 4.43Å; F85-L99 HydrophobicContact CZ-CD2 4.48Å; F85-G131 VanDerWaalsContact CD1-O 3.24Å; F85-G131 WeakPolarHBondContact CD1-O 3.45Å; F85-L132 WeakPolarHBondContact O-CA 3.26Å; F85-F135 HydrophobicContact CD2-CD1 4.44Å; F85-F135 AromaticContact CD2-CE1 3.8Å; F85-F135 HydrophobicContact CD2-CE1 3.8Å; F85-F135 HydrophobicContact CE2-CD1 4.41Å; F85-F135 AromaticContact CE2-CE1 3.61Å; F85-F135 HydrophobicContact CE2-CE1 3.61Å; F85-F135 HydrophobicContact CG-CE1 4.41Å; F85-F135 HydrophobicContact CZ-CE1 4.03Å; F85-F159 HydrophobicContact CD2-CB 3.52Å; F85-F159 HydrophobicContact CD2-CD1 4.25Å; F85-F159 HydrophobicContact CD2-CG 4.17Å; F85-F159 HydrophobicContact CE2-CB 4.05Å; F85-F159 AromaticContact CE2-CD1 3.89Å; F85-F159 HydrophobicContact CE2-CD1 3.89Å; F85-F159 HydrophobicContact CE2-CG 4.21Å; F85-F159 HydrophobicContact CG-CB 4.45Å; F85-L161 HydrophobicContact CD2-CD2 4.44Å |
| 86 | D | 91.6 | Very high | 87.6 | Confident | 22 Ų | 22 | 40.5 Ų | 40.5 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 102.5 | 173.8 | 167.2 | 23.9 | 0 | 0 | 0 | 109.1 | L132 H156 N157 G158 | D86-L132 HydrophobicContact CB-CD2 3.76Å; D86-H156 IonicContact OD1-CG 3.58Å; D86-H156 IonicContact OD1-ND1 2.93Å; D86-H156 PolarHBondContact OD1-ND1 2.83Å; D86-N157 HydrophobicContact CB-CB 4.16Å; D86-N157 WeakPolarHBondContact OD2-CB 3.13Å; D86-N157 PolarHBondContact OD2-N 3.16Å; D86-N157 PolarHBondContact OD2-ND2 2.83Å; D86-G158 PolarHBondContact N-O 3.05Å; D86-G158 CarbonylContact O-C 3.55Å; D86-G158 WeakPolarHBondContact O-CA 3.41Å; D86-G158 PolarHBondContact O-N 3.48Å |
| 87 | L | 92.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -125.2 | 146.1 | 173.9 | -67.2 | -172.1 | 0 | 0 | 0 | 109.9 | Y60 F85 D97 L99 G131 F148 F159 | Y60-L87 HydrophobicContact CE1-CD2 4.13Å; Y60-L87 VanDerWaalsContact OH-CD2 3.29Å; Y60-L87 WeakPolarHBondContact OH-CD2 3.22Å; F85-L87 HydrophobicContact CE1-CD1 4.31Å; F85-L87 HydrophobicContact CE1-CG 4.34Å; F85-L87 HydrophobicContact CE2-CD1 3.9Å; F85-L87 HydrophobicContact CE2-CG 4.19Å; F85-L87 HydrophobicContact CZ-CD1 3.53Å; F85-L87 HydrophobicContact CZ-CG 3.93Å; L87-D97 HydrophobicContact CB-CB 4.03Å; L87-D97 HydrophobicContact CD2-CB 4.5Å; L87-L99 HydrophobicContact CD1-CB 4.09Å; L87-G131 PolarHBondContact N-O 2.85Å; L87-G131 WeakPolarHBondContact O-CA 3.4Å; L87-G131 PolarHBondContact O-N 3.14Å; L87-F148 HydrophobicContact CD1-CD2 4.27Å; L87-F148 HydrophobicContact CD1-CE2 3.98Å; L87-F148 HydrophobicContact CD2-CD2 4.42Å; L87-F148 HydrophobicContact CD2-CE2 3.47Å; L87-F148 VanDerWaalsContact CD2-CE2 3.47Å; L87-F148 HydrophobicContact CD2-CZ 3.81Å; L87-F148 HydrophobicContact CG-CE2 4.4Å; L87-F159 HydrophobicContact CD1-CD1 4.05Å; L87-F159 HydrophobicContact CD1-CE1 4.2Å; L87-F159 HydrophobicContact CD2-CD1 3.88Å; L87-F159 HydrophobicContact CD2-CE1 4.22Å; L87-F159 HydrophobicContact CG-CD1 4.14Å |
| 88 | A | 88.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -62 | 138.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | E96 D97 S152 H156 | A88-E96 HydrophobicContact CB-CB 4.05Å; A88-D97 HydrophobicContact CB-CB 4.06Å; A88-D97 WeakPolarHBondContact CB-OD2 3.22Å; A88-D97 PolarHBondContact N-OD2 3.31Å; A88-D97 PolarHBondContact O-N 3.18Å; A88-S152 VanDerWaalsContact CB-CB 3.43Å; A88-H156 WeakPolarHBondContact CB-NE2 3.42Å |
| 89 | G | 82.3 | Confident | 87.9 | Confident | 12 Ų | 12 | 38.3 Ų | 38.3 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | trans | 118.2 | 119.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | C130 G131 | G89-C130 PolarHBondContact O-SG 3.16Å; G89-G131 PolarHBondContact O-N 2.97Å | ||
| 90 | D | 71.9 | Confident | 87.9 | Confident | 166 Ų | 166 | 38.9 Ų | 38.9 | 89% | 0.888 | 21% | 0.209 | S | C | * | . | trans | -93.8 | 0.8 | 168.5 | -65.9 | -37.5 | 0 | 0 | 0 | 112.4 | ||||
| 91 | S | 77.8 | Confident | 87.8 | Confident | 45 Ų | 45 | 38.9 Ų | 38.9 | 32% | 0.315 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -73.6 | 136.2 | 177.8 | 158.4 | 0 | 0 | 0 | 0 | 111.3 | Q93 C94 D95 C130 | S91-Q93 PolarHBondContact O-N 2.84Å; S91-Q93 VanDerWaalsContact O-N 3.07Å; S91-Q93 PolarHBondContact OG-N 3.31Å; S91-Q93 VanDerWaalsContact OG-N 3.07Å; S91-C94 PolarHBondContact O-N 2.73Å; S91-D95 WeakPolarHBondContact CB-OD2 3.33Å; S91-D95 PolarHBondContact OG-OD2 3.33Å; S91-C130 PolarHBondContact O-SG 3.19Å; S91-C130 VanDerWaalsContact O-SG 3.4Å |
| 92 | I | 79.4 | Confident | 87.7 | Confident | 120 Ų | 120 | 41.4 Ų | 41.4 | 62% | 0.615 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.5 | 173.7 | -63.4 | 172.4 | 0 | 0 | 0 | 112.2 | Y127 | I92-Y127 HydrophobicContact CG2-CD1 3.69Å; I92-Y127 HydrophobicContact CG2-CD2 3.73Å; I92-Y127 HydrophobicContact CG2-CE1 3.69Å; I92-Y127 HydrophobicContact CG2-CE2 3.72Å; I92-Y127 HydrophobicContact CG2-CG 3.72Å; I92-Y127 WeakPolarHBondContact O-CB 3.44Å; I92-Y127 WeakPolarHBondContact O-CD1 3.09Å |
| 93 | Q | 83.2 | Confident | 87.6 | Confident | 109 Ų | 109 | 42 Ų | 42 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -12.2 | 177.7 | -63.9 | -68.7 | -4 | 0 | 0 | 113.7 | S91 | S91-Q93 PolarHBondContact O-N 2.84Å; S91-Q93 VanDerWaalsContact O-N 3.07Å; S91-Q93 PolarHBondContact OG-N 3.31Å; S91-Q93 VanDerWaalsContact OG-N 3.07Å |
| 94 | C | 87.4 | Confident | 87.2 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | trans | 54.6 | 52.5 | -177.2 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | S91 E96 S98 P128 C130 | S91-C94 PolarHBondContact O-N 2.73Å; C94-E96 VanDerWaalsContact C-N 3.29Å; C94-E96 PolarHBondContact O-N 2.89Å; C94-S98 WeakPolarHBondContact O-CB 3.49Å; C94-P128 HydrophobicContact CB-CB 3.99Å; C94-P128 HydrophobicContact CB-CG 4.36Å; C94-P128 PolarHBondContact SG-O 3.19Å; C94-C130 WeakPolarHBondContact CA-SG 3.45Å; C94-C130 HydrophobicContact CB-CB 3.54Å; C94-C130 WeakPolarHBondContact CB-SG 3.29Å; C94-C130 WeakPolarHBondContact SG-CB 3.42Å; C94-C130 PolarHBondContact SG-N 3.46Å; C94-C130 CovalentContact SG-SG 2.03Å; C94-C130 PolarHBondContact SG-SG 3.38Å | ||
| 95 | D | 85.6 | Confident | 86.5 | Confident | 99 Ų | 99 | 44 Ų | 44 | 53% | 0.529 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -67.5 | -28.2 | -172.1 | -55 | -77.8 | 0 | 0 | 0 | 113.8 | S91 R151 | S91-D95 WeakPolarHBondContact CB-OD2 3.33Å; S91-D95 PolarHBondContact OG-OD2 3.33Å; D95-R151 PolarHBondContact O-NH1 3.26Å |
| 96 | E | 89.3 | Confident | 85.1 | Confident | 98 Ų | 98 | 51.3 Ų | 51.3 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -79.3 | -89.6 | 174.5 | -65.1 | 174.3 | -125.1 | 0 | 0 | 110.1 | A88 C94 R151 | A88-E96 HydrophobicContact CB-CB 4.05Å; C94-E96 VanDerWaalsContact C-N 3.29Å; C94-E96 PolarHBondContact O-N 2.89Å; E96-R151 WeakPolarHBondContact O-CB 3.18Å; E96-R151 WeakPolarHBondContact O-CG 3.47Å; E96-R151 PolarHBondContact O-N 3.05Å |
| 97 | D | 92.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -107.6 | 133.3 | -179.9 | -59.2 | -14.8 | 0 | 0 | 0 | 109.9 | Y60 L87 A88 C130 K149 A150 R151 S152 | Y60-D97 PolarHBondContact OH-OD2 2.86Å; L87-D97 HydrophobicContact CB-CB 4.03Å; L87-D97 HydrophobicContact CD2-CB 4.5Å; A88-D97 HydrophobicContact CB-CB 4.06Å; A88-D97 WeakPolarHBondContact CB-OD2 3.22Å; A88-D97 PolarHBondContact N-OD2 3.31Å; A88-D97 PolarHBondContact O-N 3.18Å; D97-C130 VanDerWaalsContact O-CB 3.23Å; D97-C130 WeakPolarHBondContact O-CB 3.5Å; D97-K149 CarbonylContact C-O 3.51Å; D97-K149 WeakPolarHBondContact CA-O 3.04Å; D97-A150 WeakPolarHBondContact OD1-CA 3.45Å; D97-R151 PolarHBondContact OD1-N 2.81Å; D97-S152 VanDerWaalsContact CG-OG 3.3Å; D97-S152 WeakPolarHBondContact OD1-CB 3.39Å; D97-S152 PolarHBondContact OD1-N 2.96Å; D97-S152 PolarHBondContact OD1-OG 2.84Å; D97-S152 WeakPolarHBondContact OD2-CB 3.45Å; D97-S152 PolarHBondContact OD2-OG 3.35Å |
| 98 | S | 92.7 | Very high | 81.1 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 131.2 | -175 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | C94 F148 K149 | C94-S98 WeakPolarHBondContact O-CB 3.49Å; S98-F148 WeakPolarHBondContact O-CA 3.49Å; S98-K149 PolarHBondContact N-O 2.04Å; S98-K149 PolarHBondContact O-N 3.33Å |
| 99 | L | 93.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.4 | 163.1 | 177.3 | 68.3 | 0 | 0 | 0 | 109 | F85 L87 Y129 F135 L146 V147 F148 F159 L161 | F85-L99 HydrophobicContact CE2-CB 4.46Å; F85-L99 HydrophobicContact CE2-CD2 3.87Å; F85-L99 HydrophobicContact CZ-CB 4.43Å; F85-L99 HydrophobicContact CZ-CD2 4.48Å; L87-L99 HydrophobicContact CD1-CB 4.09Å; L99-Y129 PolarHBondContact N-O 3.16Å; L99-Y129 PolarHBondContact O-N 3.12Å; L99-F135 HydrophobicContact CD2-CE1 4.03Å; L99-F135 HydrophobicContact CD2-CZ 3.63Å; L99-L146 HydrophobicContact CD1-CB 4.45Å; L99-L146 HydrophobicContact CD1-CD2 4.45Å; L99-V147 WeakPolarHBondContact CA-O 3.4Å; L99-F148 HydrophobicContact CD1-CB 4.17Å; L99-F159 HydrophobicContact CB-CE1 4.48Å; L99-F159 HydrophobicContact CD1-CE1 4.29Å; L99-F159 HydrophobicContact CD1-CZ 4.05Å; L99-F159 HydrophobicContact CD2-CE1 4.41Å; L99-L161 HydrophobicContact CD2-CD1 3.66Å; L99-L161 HydrophobicContact CD2-CD2 4.19Å; L99-L161 HydrophobicContact CD2-CG 4.5Å |
| 100 | T | 92 | Very high | 77.5 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 8% | 0.08 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 137.4 | 175.4 | -50 | 0 | 0 | 0 | 0 | 110.5 | Y102 R123 L146 V147 | T100-Y102 HydrophobicContact CG2-CD2 4.11Å; T100-Y102 HydrophobicContact CG2-CE1 4.09Å; T100-Y102 HydrophobicContact CG2-CE2 3.42Å; T100-Y102 VanDerWaalsContact CG2-CE2 3.42Å; T100-Y102 VanDerWaalsContact CG2-CZ 3.42Å; T100-R123 VanDerWaalsContact CG2-CD 3.45Å; T100-R123 HydrophobicContact CG2-CG 3.71Å; T100-L146 WeakPolarHBondContact O-CA 3.41Å; T100-V147 PolarHBondContact N-O 2.95Å; T100-V147 PolarHBondContact O-N 3.13Å |
| 101 | V | 92.2 | Very high | 76.1 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.7 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | R123 I124 Y129 V137 L144 L146 | V101-R123 WeakPolarHBondContact O-CA 3.23Å; V101-I124 HydrophobicContact CG1-CD1 4.29Å; V101-I124 PolarHBondContact O-N 3.03Å; V101-Y129 HydrophobicContact CG2-CD2 4.46Å; V101-Y129 HydrophobicContact CG2-CE2 4.2Å; V101-V137 HydrophobicContact CG1-CG1 4.17Å; V101-L144 HydrophobicContact CG1-CD1 3.61Å; V101-L144 HydrophobicContact CG1-CD2 3.76Å; V101-L144 HydrophobicContact CG1-CG 3.7Å; V101-L146 HydrophobicContact CG2-CD2 4.4Å; V101-L146 HydrophobicContact CG2-CG 4.38Å |
| 102 | Y | 90 | Very high | 74.3 | Confident | 56 Ų | 56 | 77.1 Ų | 77.1 | 22% | 0.22 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148.1 | -176.9 | -57.9 | -94.3 | 0 | 0 | 0 | 112.2 | T100 T121 K122 R123 L144 F145 V147 | T100-Y102 HydrophobicContact CG2-CD2 4.11Å; T100-Y102 HydrophobicContact CG2-CE1 4.09Å; T100-Y102 HydrophobicContact CG2-CE2 3.42Å; T100-Y102 VanDerWaalsContact CG2-CE2 3.42Å; T100-Y102 VanDerWaalsContact CG2-CZ 3.42Å; Y102-T121 WeakPolarHBondContact CD1-O 3.21Å; Y102-K122 CarbonylContact C-O 3.49Å; Y102-K122 VanDerWaalsContact CA-O 3.25Å; Y102-K122 WeakPolarHBondContact CA-O 3.38Å; Y102-R123 HydrophobicContact CD1-CB 3.95Å; Y102-R123 HydrophobicContact CE1-CB 3.97Å; Y102-L144 WeakPolarHBondContact O-CD1 3.35Å; Y102-F145 HydrophobicContact CD2-CD1 4.07Å; Y102-F145 PolarHBondContact N-O 2.89Å; Y102-F145 PolarHBondContact O-N 2.86Å; Y102-V147 HydrophobicContact CD2-CG2 4.29Å; Y102-V147 HydrophobicContact CE2-CB 4.31Å; Y102-V147 HydrophobicContact CE2-CG2 3.92Å |
| 103 | E | 88.6 | Confident | 72.4 | Confident | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.056 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 155.3 | 168.1 | 56.3 | -173.4 | -174.5 | 0 | 0 | 110.5 | T121 K122 I124 S140 | E103-T121 CarbonylContact O-C 3.44Å; E103-T121 WeakPolarHBondContact O-CA 3.48Å; E103-K122 HydrophobicContact CG-CB 4.15Å; E103-K122 HydrophobicContact CG-CD 4.44Å; E103-K122 HydrophobicContact CG-CG 4.39Å; E103-K122 PolarHBondContact N-O 2.65Å; E103-K122 PolarHBondContact O-N 2.86Å; E103-K122 WeakPolarHBondContact OE1-CE 3.42Å; E103-K122 IonicContact OE1-NZ 3.92Å; E103-K122 PolarHBondContact OE1-NZ 2.98Å; E103-I124 HydrophobicContact CB-CD1 4.09Å; E103-I124 HydrophobicContact CB-CG1 4.23Å; E103-I124 HydrophobicContact CG-CD1 4.15Å; E103-I124 HydrophobicContact CG-CG1 3.84Å; E103-S140 PolarHBondContact OE1-OG 3.34Å; E103-S140 WeakPolarHBondContact OE2-CB 3.29Å; E103-S140 PolarHBondContact OE2-N 3.1Å; E103-S140 PolarHBondContact OE2-OG 3.1Å |
| 104 | P | 79.4 | Confident | 70.5 | Confident | 55 Ų | 55 | 75.1 Ų | 75.1 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 145.1 | 172.1 | -18.1 | 31.5 | 0 | 0 | 0 | 111.5 | S141 Q143 | P104-S141 WeakPolarHBondContact CD-OG 3.14Å; P104-Q143 HydrophobicContact CG-CB 3.84Å |
| 105 | E | 76.2 | Confident | 68.2 | Low | 82 Ų | 82 | 79.2 Ų | 79.2 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | trans | -117 | 125 | 175 | -169.5 | 152.8 | -137.9 | 0 | 0 | 111.2 | Y107 F120 K122 | E105-Y107 HydrophobicContact CB-CD2 4.44Å; E105-Y107 HydrophobicContact CB-CE2 4.15Å; E105-Y107 HydrophobicContact CG-CD2 4.49Å; E105-Y107 HydrophobicContact CG-CE2 4.19Å; E105-Y107 PolarHBondContact O-N 2.84Å; E105-F120 PolarHBondContact N-O 2.91Å; E105-F120 VanDerWaalsContact N-O 3.07Å; E105-K122 HydrophobicContact CB-CB 4.07Å; E105-K122 HydrophobicContact CG-CB 4.44Å | ||
| 106 | D | 60.9 | Low | 65.9 | Low | 163 Ų | 163 | 80.5 Ų | 80.5 | 87% | 0.872 | 43% | 0.428 | S | S | * | . | trans | -75.8 | 89.8 | 178.8 | -84.5 | -26.8 | 0 | 0 | 0 | 110.7 | Q108 | D106-Q108 PolarHBondContact O-N 3.04Š| ||
| 107 | Y | 52.8 | Low | 63.3 | Low | 117 Ų | 117 | 78.7 Ų | 78.7 | 46% | 0.459 | 42% | 0.421 | S | S | . | . | trans | -73.4 | 121.4 | 168.9 | -77.9 | -85.8 | 0 | 0 | 0 | 111.2 | E105 V109 F120 | E105-Y107 HydrophobicContact CB-CD2 4.44Å; E105-Y107 HydrophobicContact CB-CE2 4.15Å; E105-Y107 HydrophobicContact CG-CD2 4.49Å; E105-Y107 HydrophobicContact CG-CE2 4.19Å; E105-Y107 PolarHBondContact O-N 2.84Å; Y107-V109 PolarHBondContact O-N 2.91Å; Y107-V109 VanDerWaalsContact O-N 3.16Å; Y107-F120 HydrophobicContact CD2-CD1 4.36Å | ||
| 108 | Q | 47.4 | Very low | 60.7 | Low | 181 Ų | 181 | 82.4 Ų | 82.4 | 85% | 0.846 | 44% | 0.441 | S | S | * | . | trans | -70.6 | 104.2 | 166.6 | -67.2 | -92.6 | -44.8 | 0 | 0 | 108.5 | D106 D110 | D106-Q108 PolarHBondContact O-N 3.04Å; Q108-D110 PolarHBondContact O-N 2.97Å; Q108-D110 VanDerWaalsContact O-N 3.16Å | ||
| 109 | V | 45.2 | Very low | 58.4 | Low | 95 Ų | 95 | 85.3 Ų | 85.3 | 58% | 0.576 | 46% | 0.458 | S | S | * | . | trans | -79.9 | 93.3 | -175.6 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | Y107 I112 | Y107-V109 PolarHBondContact O-N 2.91Å; Y107-V109 VanDerWaalsContact O-N 3.16Å; V109-I112 HydrophobicContact CG1-CD1 3.49Å; V109-I112 VanDerWaalsContact CG1-CD1 3.49Å; V109-I112 HydrophobicContact CG1-CG1 3.86Å; V109-I112 HydrophobicContact CG2-CD1 4.26Å | ||
| 110 | D | 49.1 | Very low | 56.2 | Low | 140 Ų | 140 | 89.6 Ų | 89.6 | 75% | 0.749 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -115.3 | -22.4 | 172.5 | -91.5 | -24.4 | 0 | 0 | 0 | 114.8 | Q108 | Q108-D110 PolarHBondContact O-N 2.97Å; Q108-D110 VanDerWaalsContact O-N 3.16Å |
| 111 | N | 42.4 | Very low | 55.2 | Low | 153 Ų | 153 | 91.9 Ų | 91.9 | 82% | 0.818 | 49% | 0.491 | S | S | * | . | trans | -155.3 | 96.8 | 173 | -84.5 | -64.4 | 0 | 0 | 0 | 111.5 | ||||
| 112 | I | 41 | Very low | 54.8 | Low | 106 Ų | 106 | 96.1 Ų | 96.1 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | trans | -85.4 | 116.9 | 179.1 | -69.1 | 174.5 | 0 | 0 | 0 | 110.9 | V109 I117 | V109-I112 HydrophobicContact CG1-CD1 3.49Å; V109-I112 VanDerWaalsContact CG1-CD1 3.49Å; V109-I112 HydrophobicContact CG1-CG1 3.86Å; V109-I112 HydrophobicContact CG2-CD1 4.26Å; I112-I117 HydrophobicContact CG2-CD1 3.59Å; I112-I117 HydrophobicContact CG2-CG1 3.51Å | ||
| 113 | T | 39.3 | Very low | 54.6 | Low | 75 Ų | 75 | 98.4 Ų | 98.4 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | trans | -90.2 | 145 | 152.8 | 69.2 | 0 | 0 | 0 | 0 | 109.6 | S115 E116 | T113-S115 PolarHBondContact O-N 2.82Å; T113-E116 PolarHBondContact O-N 2.81Å; T113-E116 PolarHBondContact OG1-OE2 2.89Å | ||
| 114 | S | 42.6 | Very low | 54.5 | Low | 111 Ų | 111 | 99.2 Ų | 99.2 | 78% | 0.776 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -14.1 | -167.2 | 48 | 0 | 0 | 0 | 0 | 115.4 | ||
| 115 | S | 40.3 | Very low | 54.7 | Low | 91 Ų | 91 | 98.4 Ų | 98.4 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -17.9 | 177.2 | 47 | 0 | 0 | 0 | 0 | 114.6 | T113 | T113-S115 PolarHBondContact O-N 2.82Š|
| 116 | E | 36.8 | Very low | 54.9 | Low | 126 Ų | 126 | 101.6 Ų | 101.6 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -10.2 | -172.2 | -67.4 | 177.4 | 136.2 | 0 | 0 | 113.6 | T113 D118 | T113-E116 PolarHBondContact O-N 2.81Å; T113-E116 PolarHBondContact OG1-OE2 2.89Å; E116-D118 PolarHBondContact O-N 2.87Å; E116-D118 VanDerWaalsContact O-N 3.08Å |
| 117 | I | 35 | Very low | 56.2 | Low | 60 Ų | 60 | 97.9 Ų | 97.9 | 31% | 0.308 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -59.1 | -18.3 | 171.6 | -52.4 | 177.8 | 0 | 0 | 0 | 111.5 | L17 I112 T119 F120 | L17-I117 HydrophobicContact CD2-CG2 4.1Å; I112-I117 HydrophobicContact CG2-CD1 3.59Å; I112-I117 HydrophobicContact CG2-CG1 3.51Å; I117-T119 VanDerWaalsContact C-N 3.32Å; I117-T119 PolarHBondContact O-N 2.93Å; I117-F120 HydrophobicContact CG2-CE2 3.64Å; I117-F120 HydrophobicContact CG2-CZ 4.25Å; I117-F120 WeakPolarHBondContact O-CD2 3.45Å; I117-F120 WeakPolarHBondContact O-CE2 3.38Å |
| 118 | D | 36.5 | Very low | 58 | Low | 78 Ų | 78 | 93.3 Ų | 93.3 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -84.8 | 9.8 | -166 | -110.5 | 30.1 | 0 | 0 | 0 | 115.7 | R21 E116 | R21-D118 IonicContact CZ-OD2 3.52Å; R21-D118 IonicContact NE-OD1 3.56Å; R21-D118 IonicContact NE-OD2 3.44Å; R21-D118 PolarHBondContact NE-OD2 2.97Å; R21-D118 VanDerWaalsContact NH2-CG 3.3Å; R21-D118 PolarHBondContact NH2-O 2.85Å; R21-D118 IonicContact NH2-OD2 2.74Å; R21-D118 PolarHBondContact NH2-OD2 3.18Å; E116-D118 PolarHBondContact O-N 2.87Å; E116-D118 VanDerWaalsContact O-N 3.08Å |
| 119 | T | 44.1 | Very low | 60.1 | Low | 76 Ų | 76 | 87 Ų | 87 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -130.3 | 24.8 | -170 | -6.8 | 0 | 0 | 0 | 0 | 116.1 | I117 T121 | I117-T119 VanDerWaalsContact C-N 3.32Å; I117-T119 PolarHBondContact O-N 2.93Å; T119-T121 PolarHBondContact O-N 2.8Å |
| 120 | F | 48.7 | Very low | 62.3 | Low | 91 Ų | 91 | 83.5 Ų | 83.5 | 40% | 0.399 | 44% | 0.444 | S | S | . | . | trans | -53.6 | 3 | 179.2 | -77.2 | -69.3 | 0 | 0 | 0 | 118.1 | L17 E105 Y107 I117 | L17-F120 HydrophobicContact CD1-CD2 3.97Å; L17-F120 HydrophobicContact CD1-CE2 3.58Å; L17-F120 HydrophobicContact CD1-CZ 4.41Å; L17-F120 HydrophobicContact CD2-CE2 4.46Å; E105-F120 PolarHBondContact N-O 2.91Å; E105-F120 VanDerWaalsContact N-O 3.07Å; Y107-F120 HydrophobicContact CD2-CD1 4.36Å; I117-F120 HydrophobicContact CG2-CE2 3.64Å; I117-F120 HydrophobicContact CG2-CZ 4.25Å; I117-F120 WeakPolarHBondContact O-CD2 3.45Å; I117-F120 WeakPolarHBondContact O-CE2 3.38Å | ||
| 121 | T | 71.1 | Confident | 64.3 | Low | 60 Ų | 60 | 77.2 Ų | 77.2 | 37% | 0.368 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 105.5 | -170.5 | 56.2 | 0 | 0 | 0 | 0 | 112.2 | Y102 E103 T119 | Y102-T121 WeakPolarHBondContact CD1-O 3.21Å; E103-T121 CarbonylContact O-C 3.44Å; E103-T121 WeakPolarHBondContact O-CA 3.48Å; T119-T121 PolarHBondContact O-N 2.8Å |
| 122 | K | 83.2 | Confident | 66.5 | Low | 91 Ų | 91 | 76.3 Ų | 76.3 | 40% | 0.396 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.5 | 171.6 | 175.5 | 176.6 | 164 | -137.8 | 0 | 110.1 | Y102 E103 E105 | Y102-K122 CarbonylContact C-O 3.49Å; Y102-K122 VanDerWaalsContact CA-O 3.25Å; Y102-K122 WeakPolarHBondContact CA-O 3.38Å; E103-K122 HydrophobicContact CG-CB 4.15Å; E103-K122 HydrophobicContact CG-CD 4.44Å; E103-K122 HydrophobicContact CG-CG 4.39Å; E103-K122 PolarHBondContact N-O 2.65Å; E103-K122 PolarHBondContact O-N 2.86Å; E103-K122 WeakPolarHBondContact OE1-CE 3.42Å; E103-K122 IonicContact OE1-NZ 3.92Å; E103-K122 PolarHBondContact OE1-NZ 2.98Å; E105-K122 HydrophobicContact CB-CB 4.07Å; E105-K122 HydrophobicContact CG-CB 4.44Å |
| 123 | R | 86.6 | Confident | 68.5 | Low | 104 Ų | 104 | 76.2 Ų | 76.2 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 131.3 | 174.2 | -177.7 | 178.2 | 61 | -146.4 | -11 | 110.2 | T100 V101 Y102 G125 K126 | T100-R123 VanDerWaalsContact CG2-CD 3.45Å; T100-R123 HydrophobicContact CG2-CG 3.71Å; V101-R123 WeakPolarHBondContact O-CA 3.23Å; Y102-R123 HydrophobicContact CD1-CB 3.95Å; Y102-R123 HydrophobicContact CE1-CB 3.97Å; R123-G125 PolarHBondContact NE-O 2.8Å; R123-K126 PolarHBondContact NH2-O 2.88Å |
| 124 | I | 86.3 | Confident | 70.6 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 14% | 0.144 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -83.6 | 118.3 | 167.4 | -49.4 | -176.1 | 0 | 0 | 0 | 108.3 | V101 E103 V137 L144 | V101-I124 HydrophobicContact CG1-CD1 4.29Å; V101-I124 PolarHBondContact O-N 3.03Å; E103-I124 HydrophobicContact CB-CD1 4.09Å; E103-I124 HydrophobicContact CB-CG1 4.23Å; E103-I124 HydrophobicContact CG-CD1 4.15Å; E103-I124 HydrophobicContact CG-CG1 3.84Å; I124-V137 HydrophobicContact CB-CG1 4.28Å; I124-V137 HydrophobicContact CD1-CG1 3.81Å; I124-V137 HydrophobicContact CG2-CG1 3.85Å; I124-L144 HydrophobicContact CD1-CD1 3.57Å |
| 125 | G | 82.4 | Confident | 72.8 | Confident | 39 Ų | 39 | 70 Ų | 70 | 40% | 0.402 | 37% | 0.369 | S | S | . | . | S | Bend | trans | 96.2 | 154.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | R123 | R123-G125 PolarHBondContact NE-O 2.8Š|
| 126 | K | 81.9 | Confident | 75.2 | Confident | 148 Ų | 148 | 67.9 Ų | 67.9 | 64% | 0.643 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -76.1 | -25.2 | -176 | -168.2 | 179.9 | 176.9 | -154.8 | 0 | 113.1 | R123 | R123-K126 PolarHBondContact NH2-O 2.88Š|
| 127 | Y | 87.3 | Confident | 77.8 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -138.4 | 161.9 | -176.2 | -58 | -71.3 | 0 | 0 | 0 | 109.7 | I92 | I92-Y127 HydrophobicContact CG2-CD1 3.69Å; I92-Y127 HydrophobicContact CG2-CD2 3.73Å; I92-Y127 HydrophobicContact CG2-CE1 3.69Å; I92-Y127 HydrophobicContact CG2-CE2 3.72Å; I92-Y127 HydrophobicContact CG2-CG 3.72Å; I92-Y127 WeakPolarHBondContact O-CB 3.44Å; I92-Y127 WeakPolarHBondContact O-CD1 3.09Å |
| 128 | P | 90.2 | Very high | 80.5 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | trans | -63.6 | 170.8 | 166.5 | -15.1 | 30.8 | 0 | 0 | 0 | 111.9 | C94 | C94-P128 HydrophobicContact CB-CB 3.99Å; C94-P128 HydrophobicContact CB-CG 4.36Å; C94-P128 PolarHBondContact SG-O 3.19Å | ||
| 129 | Y | 92.3 | Very high | 83.1 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 19% | 0.192 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -103.5 | 131.7 | 174.1 | -57.4 | -85 | 0 | 0 | 0 | 110.2 | L99 V101 F135 V137 | L99-Y129 PolarHBondContact N-O 3.16Å; L99-Y129 PolarHBondContact O-N 3.12Å; V101-Y129 HydrophobicContact CG2-CD2 4.46Å; V101-Y129 HydrophobicContact CG2-CE2 4.2Å; Y129-F135 HydrophobicContact CD1-CB 3.79Å; Y129-F135 AromaticContact CD1-CD1 3.77Å; Y129-F135 HydrophobicContact CD1-CD1 3.77Å; Y129-F135 AromaticContact CD1-CD2 3.99Å; Y129-F135 HydrophobicContact CD1-CD2 3.99Å; Y129-F135 HydrophobicContact CD1-CE1 4.37Å; Y129-F135 AromaticContact CD1-CG 3.56Å; Y129-F135 HydrophobicContact CD1-CG 3.56Å; Y129-F135 HydrophobicContact CD2-CD2 4.47Å; Y129-F135 HydrophobicContact CD2-CE2 4.35Å; Y129-F135 HydrophobicContact CD2-CZ 4.46Å; Y129-F135 HydrophobicContact CE1-CB 3.68Å; Y129-F135 HydrophobicContact CE1-CD1 4.36Å; Y129-F135 AromaticContact CE1-CD2 3.79Å; Y129-F135 HydrophobicContact CE1-CD2 3.79Å; Y129-F135 AromaticContact CE1-CG 3.68Å; Y129-F135 HydrophobicContact CE1-CG 3.68Å; Y129-F135 HydrophobicContact CE2-CD2 4.31Å; Y129-F135 HydrophobicContact CE2-CE2 4.36Å; Y129-F135 HydrophobicContact CG-CD1 4.02Å; Y129-F135 HydrophobicContact CG-CD2 4.33Å; Y129-F135 HydrophobicContact CG-CE1 4.16Å; Y129-F135 HydrophobicContact CG-CE2 4.47Å; Y129-F135 HydrophobicContact CG-CG 4.12Å; Y129-F135 HydrophobicContact CG-CZ 4.39Å; Y129-F135 AromaticContact CZ-CD2 3.97Å; Y129-V137 HydrophobicContact CE2-CG2 4.23Å; Y129-V137 VanDerWaalsContact OH-CG2 3.27Å; Y129-V137 WeakPolarHBondContact OH-CG2 3.5Å |
| 130 | C | 92.2 | Very high | 85.2 | Confident | 22 Ų | 22 | 56.9 Ų | 56.9 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | trans | -155.5 | 177.3 | 176.1 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | G89 S91 C94 D97 | G89-C130 PolarHBondContact O-SG 3.16Å; S91-C130 PolarHBondContact O-SG 3.19Å; S91-C130 VanDerWaalsContact O-SG 3.4Å; C94-C130 WeakPolarHBondContact CA-SG 3.45Å; C94-C130 HydrophobicContact CB-CB 3.54Å; C94-C130 WeakPolarHBondContact CB-SG 3.29Å; C94-C130 WeakPolarHBondContact SG-CB 3.42Å; C94-C130 PolarHBondContact SG-N 3.46Å; C94-C130 CovalentContact SG-SG 2.03Å; C94-C130 PolarHBondContact SG-SG 3.38Å; D97-C130 VanDerWaalsContact O-CB 3.23Å; D97-C130 WeakPolarHBondContact O-CB 3.5Å | ||
| 131 | G | 90.3 | Very high | 87 | Confident | 8 Ų | 8 | 53.8 Ų | 53.8 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | 72.4 | -153.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | F85 L87 G89 | F85-G131 VanDerWaalsContact CD1-O 3.24Å; F85-G131 WeakPolarHBondContact CD1-O 3.45Å; L87-G131 PolarHBondContact N-O 2.85Å; L87-G131 WeakPolarHBondContact O-CA 3.4Å; L87-G131 PolarHBondContact O-N 3.14Å; G89-G131 PolarHBondContact O-N 2.97Å |
| 132 | L | 87.6 | Confident | 87.7 | Confident | 133 Ų | 133 | 52.5 Ų | 52.5 | 70% | 0.696 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 8.7 | -174.5 | -58 | 176 | 0 | 0 | 0 | 114.3 | F85 D86 S134 | F85-L132 WeakPolarHBondContact O-CA 3.26Å; D86-L132 HydrophobicContact CB-CD2 3.76Å; L132-S134 PolarHBondContact O-N 2.97Å |
| 133 | T | 83.6 | Confident | 87.9 | Confident | 105 Ų | 105 | 49.3 Ų | 49.3 | 64% | 0.644 | 26% | 0.262 | S | S | * | . | trans | -88.4 | 113.9 | -171.3 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 134 | S | 84 | Confident | 88.1 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | trans | -61.4 | 140.6 | 174.4 | 63.4 | 0 | 0 | 0 | 0 | 112.3 | S82 L132 I181 | S82-S134 WeakPolarHBondContact OG-CA 3.39Å; S82-S134 WeakPolarHBondContact OG-CB 3.34Å; L132-S134 PolarHBondContact O-N 2.97Å; S134-I181 WeakPolarHBondContact OG-CG2 3.41Å | ||
| 135 | F | 88.3 | Confident | 88.2 | Confident | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | trans | -134.8 | 165 | -177.9 | 72.4 | -88.3 | 0 | 0 | 0 | 112.3 | Q81 S82 F85 L99 Y129 V137 L161 | Q81-F135 WeakPolarHBondContact CA-O 3.45Å; S82-F135 PolarHBondContact N-O 3.03Å; S82-F135 PolarHBondContact OG-N 3.27Å; S82-F135 PolarHBondContact OG-O 2.74Å; F85-F135 HydrophobicContact CD2-CD1 4.44Å; F85-F135 AromaticContact CD2-CE1 3.8Å; F85-F135 HydrophobicContact CD2-CE1 3.8Å; F85-F135 HydrophobicContact CE2-CD1 4.41Å; F85-F135 AromaticContact CE2-CE1 3.61Å; F85-F135 HydrophobicContact CE2-CE1 3.61Å; F85-F135 HydrophobicContact CG-CE1 4.41Å; F85-F135 HydrophobicContact CZ-CE1 4.03Å; L99-F135 HydrophobicContact CD2-CE1 4.03Å; L99-F135 HydrophobicContact CD2-CZ 3.63Å; Y129-F135 HydrophobicContact CD1-CB 3.79Å; Y129-F135 AromaticContact CD1-CD1 3.77Å; Y129-F135 HydrophobicContact CD1-CD1 3.77Å; Y129-F135 AromaticContact CD1-CD2 3.99Å; Y129-F135 HydrophobicContact CD1-CD2 3.99Å; Y129-F135 HydrophobicContact CD1-CE1 4.37Å; Y129-F135 AromaticContact CD1-CG 3.56Å; Y129-F135 HydrophobicContact CD1-CG 3.56Å; Y129-F135 HydrophobicContact CD2-CD2 4.47Å; Y129-F135 HydrophobicContact CD2-CE2 4.35Å; Y129-F135 HydrophobicContact CD2-CZ 4.46Å; Y129-F135 HydrophobicContact CE1-CB 3.68Å; Y129-F135 HydrophobicContact CE1-CD1 4.36Å; Y129-F135 AromaticContact CE1-CD2 3.79Å; Y129-F135 HydrophobicContact CE1-CD2 3.79Å; Y129-F135 AromaticContact CE1-CG 3.68Å; Y129-F135 HydrophobicContact CE1-CG 3.68Å; Y129-F135 HydrophobicContact CE2-CD2 4.31Å; Y129-F135 HydrophobicContact CE2-CE2 4.36Å; Y129-F135 HydrophobicContact CG-CD1 4.02Å; Y129-F135 HydrophobicContact CG-CD2 4.33Å; Y129-F135 HydrophobicContact CG-CE1 4.16Å; Y129-F135 HydrophobicContact CG-CE2 4.47Å; Y129-F135 HydrophobicContact CG-CG 4.12Å; Y129-F135 HydrophobicContact CG-CZ 4.39Å; Y129-F135 AromaticContact CZ-CD2 3.97Å; F135-V137 HydrophobicContact CD2-CG2 4.03Å; F135-V137 HydrophobicContact CE2-CG2 4.2Å; F135-L161 HydrophobicContact CE1-CD2 3.99Å; F135-L161 HydrophobicContact CZ-CD2 3.67Å | ||
| 136 | R | 90.4 | Very high | 88.7 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 137.8 | 170.1 | 179.7 | -167.9 | -65.8 | 161.2 | 3.2 | 109.7 | I79 I80 Q81 I181 E192 C200 | I79-R136 HydrophobicContact CG1-CG 4.25Å; I80-R136 CarbonylContact O-C 3.49Å; I80-R136 WeakPolarHBondContact O-CA 3.43Å; I80-R136 WeakPolarHBondContact O-CG 3.44Å; Q81-R136 HydrophobicContact CB-CB 4.36Å; Q81-R136 HydrophobicContact CB-CG 4.34Å; R136-I181 HydrophobicContact CB-CD1 3.52Å; R136-I181 HydrophobicContact CB-CG1 4.27Å; R136-E192 IonicContact CZ-OE1 3.71Å; R136-E192 IonicContact NH1-OE1 3.16Å; R136-E192 PolarHBondContact NH1-OE1 2.03Å; R136-E192 IonicContact NH2-OE1 3.48Å; R136-E192 PolarHBondContact NH2-OE1 2.94Å; R136-C200 PolarHBondContact NH2-O 3.14Å |
| 137 | V | 91.2 | Very high | 89.1 | Confident | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.7 | 178.5 | 166.9 | 0 | 0 | 0 | 0 | 108.9 | I79 I80 V101 I124 Y129 F135 | I79-V137 CarbonylContact C-O 3.49Å; I79-V137 WeakPolarHBondContact CA-O 3.17Å; I80-V137 PolarHBondContact N-O 2.92Å; I80-V137 PolarHBondContact O-N 2.84Å; V101-V137 HydrophobicContact CG1-CG1 4.17Å; I124-V137 HydrophobicContact CB-CG1 4.28Å; I124-V137 HydrophobicContact CD1-CG1 3.81Å; I124-V137 HydrophobicContact CG2-CG1 3.85Å; Y129-V137 HydrophobicContact CE2-CG2 4.23Å; Y129-V137 VanDerWaalsContact OH-CG2 3.27Å; Y129-V137 WeakPolarHBondContact OH-CG2 3.5Å; F135-V137 HydrophobicContact CD2-CG2 4.03Å; F135-V137 HydrophobicContact CE2-CG2 4.2Å |
| 138 | L | 91.9 | Very high | 89.3 | Confident | 33 Ų | 33 | 32.9 Ų | 32.9 | 17% | 0.173 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116.5 | 169.2 | 172.3 | 54.1 | 0 | 0 | 0 | 108.5 | R77 I79 I166 A171 V174 E175 | R77-L138 HydrophobicContact CB-CD1 4.32Å; I79-L138 HydrophobicContact CB-CD1 4.18Å; L138-I166 HydrophobicContact CD1-CD1 3.8Å; L138-I166 HydrophobicContact CD1-CG1 4.32Å; L138-A171 HydrophobicContact CD1-CB 4.49Å; L138-A171 HydrophobicContact CD2-CB 4.34Å; L138-V174 HydrophobicContact CD2-CB 4Å; L138-V174 HydrophobicContact CD2-CG1 3.93Å; L138-E175 HydrophobicContact CD2-CG 3.68Å |
| 139 | S | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -64.6 | 146.2 | 176.7 | -168.6 | 0 | 0 | 0 | 0 | 111.1 | R77 I78 S141 Q143 | R77-S139 VanDerWaalsContact CZ-O 3.27Å; R77-S139 PolarHBondContact NE-O 2.71Å; R77-S139 PolarHBondContact NH2-O 2.55Å; I78-S139 WeakPolarHBondContact O-CB 3.04Å; I78-S139 PolarHBondContact O-N 3.36Å; S139-S141 VanDerWaalsContact C-N 3.29Å; S139-S141 WeakPolarHBondContact CB-O 3.46Å; S139-S141 PolarHBondContact OG-N 3.47Å; S139-S141 VanDerWaalsContact OG-N 3.11Å; S139-S141 PolarHBondContact OG-O 3.43Å; S139-S141 PolarHBondContact OG-OG 2.6Å; S139-Q143 PolarHBondContact OG-O 2.93Å; S139-Q143 VanDerWaalsContact OG-O 3.12Å | ||
| 140 | S | 88.4 | Confident | 89.3 | Confident | 71 Ų | 71 | 33.3 Ų | 33.3 | 50% | 0.497 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -78.4 | -15.6 | 165.3 | 68.1 | 0 | 0 | 0 | 0 | 112.9 | E103 | E103-S140 PolarHBondContact OE1-OG 3.34Å; E103-S140 WeakPolarHBondContact OE2-CB 3.29Å; E103-S140 PolarHBondContact OE2-N 3.1Å; E103-S140 PolarHBondContact OE2-OG 3.1Å |
| 141 | S | 87.4 | Confident | 89 | Confident | 25 Ų | 25 | 39.6 Ų | 39.6 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -120.3 | 176.1 | -174.3 | 79 | 0 | 0 | 0 | 0 | 113.7 | P104 S139 Q143 | P104-S141 WeakPolarHBondContact CD-OG 3.14Å; S139-S141 VanDerWaalsContact C-N 3.29Å; S139-S141 WeakPolarHBondContact CB-O 3.46Å; S139-S141 PolarHBondContact OG-N 3.47Å; S139-S141 VanDerWaalsContact OG-N 3.11Å; S139-S141 PolarHBondContact OG-O 3.43Å; S139-S141 PolarHBondContact OG-OG 2.6Å; S141-Q143 PolarHBondContact O-N 3.42Å; S141-Q143 PolarHBondContact OG-N 2.89Å; S141-Q143 VanDerWaalsContact OG-N 3.16Å; S141-Q143 PolarHBondContact OG-O 3.41Å |
| 142 | N | 85.1 | Confident | 88.7 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -84.3 | 9.9 | 172.3 | 76.2 | -54.7 | 0 | 0 | 0 | 113.4 | H71 V72 N73 D76 | H71-N142 PolarHBondContact CD2-ND2 3.19Å; H71-N142 VanDerWaalsContact CD2-ND2 3.27Å; H71-N142 PolarHBondContact NE2-ND2 3.4Å; V72-N142 HydrophobicContact CG2-CB 4.04Å; V72-N142 WeakPolarHBondContact CG2-O 3.25Å; V72-N142 PolarHBondContact N-O 3.08Å; V72-N142 PolarHBondContact O-ND2 2.79Å; N73-N142 WeakPolarHBondContact O-CB 3.46Å; D76-N142 WeakPolarHBondContact O-CA 3.49Å; D76-N142 VanDerWaalsContact O-CB 3.26Å; D76-N142 WeakPolarHBondContact O-CB 3.37Å |
| 143 | Q | 86.4 | Confident | 88.1 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 152.7 | 178.6 | -66.9 | -179.5 | 7.7 | 0 | 0 | 111 | I70 H71 P104 S139 S141 | I70-Q143 CarbonylContact O-C 3.57Å; I70-Q143 VanDerWaalsContact O-CA 3.29Å; I70-Q143 WeakPolarHBondContact O-CA 3.16Å; H71-Q143 HydrophobicContact CB-CG 4.32Å; H71-Q143 PolarHBondContact CE1-NE2 2.75Å; H71-Q143 PolarHBondContact NE2-NE2 3.45Å; H71-Q143 VanDerWaalsContact NE2-NE2 3.15Å; P104-Q143 HydrophobicContact CG-CB 3.84Å; S139-Q143 PolarHBondContact OG-O 2.93Å; S139-Q143 VanDerWaalsContact OG-O 3.12Å; S141-Q143 PolarHBondContact O-N 3.42Å; S141-Q143 PolarHBondContact OG-N 2.89Å; S141-Q143 VanDerWaalsContact OG-N 3.16Å; S141-Q143 PolarHBondContact OG-O 3.41Å |
| 144 | L | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 131.8 | 176.3 | -158.5 | 73.5 | 0 | 0 | 0 | 110.3 | I70 I78 I80 V101 Y102 I124 L146 | I70-L144 HydrophobicContact CB-CB 4.36Å; I70-L144 HydrophobicContact CD1-CD2 4.49Å; I70-L144 PolarHBondContact N-O 2.94Å; I70-L144 PolarHBondContact O-N 2.88Å; I78-L144 HydrophobicContact CD1-CB 3.82Å; I78-L144 HydrophobicContact CG2-CB 4.47Å; I78-L144 HydrophobicContact CG2-CD2 4.08Å; I80-L144 HydrophobicContact CD1-CD2 3.35Å; I80-L144 HydrophobicContact CG1-CD2 3.78Å; V101-L144 HydrophobicContact CG1-CD1 3.61Å; V101-L144 HydrophobicContact CG1-CD2 3.76Å; V101-L144 HydrophobicContact CG1-CG 3.7Å; Y102-L144 WeakPolarHBondContact O-CD1 3.35Å; I124-L144 HydrophobicContact CD1-CD1 3.57Å; L144-L146 HydrophobicContact CD2-CD1 4.08Å; L144-L146 HydrophobicContact CG-CD1 4.29Å |
| 145 | F | 89.1 | Confident | 87.9 | Confident | 40 Ų | 40 | 40.9 Ų | 40.9 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119 | 177.9 | -176.5 | -117.4 | 0 | 0 | 0 | 109.9 | F67 W68 L69 Y102 V147 | F67-F145 HydrophobicContact CB-CE2 3.87Å; F67-F145 HydrophobicContact CB-CZ 3.93Å; F67-F145 AromaticContact CD2-CE2 3.9Å; F67-F145 HydrophobicContact CD2-CE2 3.9Å; F67-F145 HydrophobicContact CD2-CZ 4.47Å; F67-F145 HydrophobicContact CG-CE2 4.24Å; F67-F145 HydrophobicContact CG-CZ 4.43Å; W68-F145 CarbonylContact O-C 3.52Å; W68-F145 WeakPolarHBondContact O-CA 3.36Å; L69-F145 HydrophobicContact CB-CD2 4.16Å; L69-F145 HydrophobicContact CD1-CB 4.17Å; L69-F145 HydrophobicContact CD1-CD2 4.26Å; Y102-F145 HydrophobicContact CD2-CD1 4.07Å; Y102-F145 PolarHBondContact N-O 2.89Å; Y102-F145 PolarHBondContact O-N 2.86Å; F145-V147 HydrophobicContact CD1-CG2 3.82Å; F145-V147 HydrophobicContact CE1-CG2 3.27Å; F145-V147 HydrophobicContact CZ-CG2 3.78Å |
| 146 | L | 92.2 | Very high | 88 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.4 | 177.7 | -61.9 | 89 | 0 | 0 | 0 | 109.2 | I48 F67 W68 I70 I80 L99 T100 V101 L144 L161 | I48-L146 HydrophobicContact CD1-CD1 4.24Å; I48-L146 HydrophobicContact CD1-CD2 4.39Å; F67-L146 CarbonylContact C-O 3.53Å; F67-L146 WeakPolarHBondContact CA-O 3.43Å; W68-L146 HydrophobicContact CB-CB 4.41Å; W68-L146 HydrophobicContact CB-CD1 4.44Å; W68-L146 HydrophobicContact CE3-CB 4.08Å; W68-L146 PolarHBondContact N-O 3.41Å; W68-L146 PolarHBondContact O-N 3.36Å; I70-L146 HydrophobicContact CD1-CD1 3.8Å; I70-L146 HydrophobicContact CG1-CD1 4.08Å; I80-L146 HydrophobicContact CD1-CD1 4.11Å; I80-L146 HydrophobicContact CD1-CD2 4Å; L99-L146 HydrophobicContact CD1-CB 4.45Å; L99-L146 HydrophobicContact CD1-CD2 4.45Å; T100-L146 WeakPolarHBondContact O-CA 3.41Å; V101-L146 HydrophobicContact CG2-CD2 4.4Å; V101-L146 HydrophobicContact CG2-CG 4.38Å; L144-L146 HydrophobicContact CD2-CD1 4.08Å; L144-L146 HydrophobicContact CG-CD1 4.29Å; L146-L161 HydrophobicContact CD2-CD1 3.58Å |
| 147 | V | 91.2 | Very high | 88 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 118 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | L99 T100 Y102 F145 K149 | L99-V147 WeakPolarHBondContact CA-O 3.4Å; T100-V147 PolarHBondContact N-O 2.95Å; T100-V147 PolarHBondContact O-N 3.13Å; Y102-V147 HydrophobicContact CD2-CG2 4.29Å; Y102-V147 HydrophobicContact CE2-CB 4.31Å; Y102-V147 HydrophobicContact CE2-CG2 3.92Å; F145-V147 HydrophobicContact CD1-CG2 3.82Å; F145-V147 HydrophobicContact CE1-CG2 3.27Å; F145-V147 HydrophobicContact CZ-CG2 3.78Å; V147-K149 HydrophobicContact CG1-CD 4.44Å; V147-K149 HydrophobicContact CG1-CG 4.26Å |
| 148 | F | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.8 | 171.8 | 171.5 | -132.7 | 0 | 0 | 0 | 109.8 | Y60 I64 Q65 C66 W68 L87 S98 L99 A150 F159 | Y60-F148 HydrophobicContact CE1-CZ 4.33Å; I64-F148 HydrophobicContact CB-CE1 4.31Å; I64-F148 HydrophobicContact CG2-CD1 4.19Å; I64-F148 HydrophobicContact CG2-CE1 3.97Å; Q65-F148 WeakPolarHBondContact CA-O 3.28Å; C66-F148 HydrophobicContact CB-CB 4.36Å; C66-F148 HydrophobicContact CB-CD1 4.32Å; C66-F148 PolarHBondContact N-O 2.95Å; C66-F148 PolarHBondContact O-N 2.85Å; W68-F148 HydrophobicContact CH2-CB 4.06Å; W68-F148 HydrophobicContact CH2-CD1 4.31Å; W68-F148 HydrophobicContact CZ3-CB 3.67Å; L87-F148 HydrophobicContact CD1-CD2 4.27Å; L87-F148 HydrophobicContact CD1-CE2 3.98Å; L87-F148 HydrophobicContact CD2-CD2 4.42Å; L87-F148 HydrophobicContact CD2-CE2 3.47Å; L87-F148 VanDerWaalsContact CD2-CE2 3.47Å; L87-F148 HydrophobicContact CD2-CZ 3.81Å; L87-F148 HydrophobicContact CG-CE2 4.4Å; S98-F148 WeakPolarHBondContact O-CA 3.49Å; L99-F148 HydrophobicContact CD1-CB 4.17Å; F148-A150 HydrophobicContact CE1-CB 4.47Å; F148-A150 HydrophobicContact CE2-CB 4.2Å; F148-A150 HydrophobicContact CZ-CB 3.8Å; F148-F159 HydrophobicContact CB-CE1 4.21Å; F148-F159 HydrophobicContact CB-CZ 3.94Å; F148-F159 HydrophobicContact CD1-CE1 4.06Å; F148-F159 HydrophobicContact CD1-CZ 4.04Å; F148-F159 AromaticContact CD2-CE1 3.66Å; F148-F159 HydrophobicContact CD2-CE1 3.66Å; F148-F159 HydrophobicContact CD2-CZ 4.25Å; F148-F159 HydrophobicContact CE1-CE1 4.34Å; F148-F159 AromaticContact CE2-CE1 3.99Å; F148-F159 HydrophobicContact CE2-CE1 3.99Å; F148-F159 AromaticContact CG-CE1 3.71Å; F148-F159 HydrophobicContact CG-CE1 3.71Å; F148-F159 AromaticContact CG-CZ 3.82Å; F148-F159 HydrophobicContact CG-CZ 3.82Å; F148-F159 HydrophobicContact CZ-CE1 4.3Å |
| 149 | K | 90.7 | Very high | 88.1 | Confident | 73 Ų | 73 | 42.2 Ų | 42.2 | 32% | 0.317 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 113.8 | 173.8 | -68.3 | 172.5 | -178.8 | 172.7 | 0 | 108.2 | I64 Q65 D97 S98 V147 | I64-K149 CarbonylContact O-C 3.58Å; I64-K149 WeakPolarHBondContact O-CA 3.27Å; Q65-K149 HydrophobicContact CG-CG 4.14Å; D97-K149 CarbonylContact C-O 3.51Å; D97-K149 WeakPolarHBondContact CA-O 3.04Å; S98-K149 PolarHBondContact N-O 2.04Å; S98-K149 PolarHBondContact O-N 3.33Å; V147-K149 HydrophobicContact CG1-CD 4.44Å; V147-K149 HydrophobicContact CG1-CG 4.26Å |
| 150 | A | 90.4 | Very high | 88.2 | Confident | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | trans | -92.5 | 133.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y60 I64 D97 F148 | Y60-A150 HydrophobicContact CD2-CB 4.14Å; Y60-A150 HydrophobicContact CE2-CB 3.59Å; I64-A150 HydrophobicContact CB-CB 4.11Å; I64-A150 PolarHBondContact N-O 3.29Å; I64-A150 PolarHBondContact O-N 2.84Å; D97-A150 WeakPolarHBondContact OD1-CA 3.45Å; F148-A150 HydrophobicContact CE1-CB 4.47Å; F148-A150 HydrophobicContact CE2-CB 4.2Å; F148-A150 HydrophobicContact CZ-CB 3.8Å | ||
| 151 | R | 86.8 | Confident | 88.4 | Confident | 154 Ų | 154 | 39.6 Ų | 39.6 | 58% | 0.581 | 20% | 0.201 | S | C | * | . | trans | -128.1 | -9.3 | 172.7 | -56.7 | 170.6 | 161.7 | 175.7 | -7.6 | 113 | L63 D95 E96 D97 | L63-R151 HydrophobicContact CD2-CB 4.38Å; D95-R151 PolarHBondContact O-NH1 3.26Å; E96-R151 WeakPolarHBondContact O-CB 3.18Å; E96-R151 WeakPolarHBondContact O-CG 3.47Å; E96-R151 PolarHBondContact O-N 3.05Å; D97-R151 PolarHBondContact OD1-N 2.81Å | ||
| 152 | S | 83.4 | Confident | 88.6 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 6% | 0.056 | 19% | 0.193 | C | C | . | . | trans | -63.9 | 155.3 | 175.4 | 70.7 | 0 | 0 | 0 | 0 | 111.5 | A88 D97 | A88-S152 VanDerWaalsContact CB-CB 3.43Å; D97-S152 VanDerWaalsContact CG-OG 3.3Å; D97-S152 WeakPolarHBondContact OD1-CB 3.39Å; D97-S152 PolarHBondContact OD1-N 2.96Å; D97-S152 PolarHBondContact OD1-OG 2.84Å; D97-S152 WeakPolarHBondContact OD2-CB 3.45Å; D97-S152 PolarHBondContact OD2-OG 3.35Å | ||
| 153 | T | 75 | Confident | 89 | Confident | 131 Ų | 131 | 37.1 Ų | 37.1 | 80% | 0.804 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -106 | 12.3 | 169.2 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 154 | G | 79.2 | Confident | 89.1 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 29% | 0.289 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -89.6 | 164.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 155 | K | 85.2 | Confident | 88.9 | Confident | 148 Ų | 148 | 37.6 Ų | 37.6 | 64% | 0.643 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 115.1 | 171.2 | -70.5 | -171.8 | 175 | -172.3 | 0 | 109.9 | A59 Y60 D61 | A59-K155 HydrophobicContact CB-CB 4.09Å; Y60-K155 WeakPolarHBondContact O-CA 3.44Å; D61-K155 HydrophobicContact CB-CG 4.29Å; D61-K155 VanDerWaalsContact CG-CE 3.45Å; D61-K155 WeakPolarHBondContact OD2-CE 3.34Å; D61-K155 IonicContact OD2-NZ 3.49Å; D61-K155 PolarHBondContact OD2-NZ 2.87Å |
| 156 | H | 88.5 | Confident | 88.7 | Confident | 41 Ų | 41 | 35.9 Ų | 35.9 | 19% | 0.19 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.3 | 178.5 | -70.5 | -85.4 | 0 | 0 | 0 | 109.9 | A59 Y60 D86 A88 G158 | A59-H156 VanDerWaalsContact CA-O 3.26Å; A59-H156 WeakPolarHBondContact CA-O 3.27Å; A59-H156 VanDerWaalsContact CB-O 3.24Å; A59-H156 WeakPolarHBondContact CB-O 3.43Å; Y60-H156 HydrophobicContact CD1-CB 4.4Å; Y60-H156 WeakPolarHBondContact CD1-O 3.5Å; Y60-H156 HydrophobicContact CE1-CB 3.6Å; Y60-H156 WeakPolarHBondContact CE1-O 3.37Å; Y60-H156 HydrophobicContact CE2-CB 4.32Å; Y60-H156 PolarHBondContact N-O 3.17Å; Y60-H156 WeakPolarHBondContact OH-CB 3.38Å; D86-H156 IonicContact OD1-CG 3.58Å; D86-H156 IonicContact OD1-ND1 2.93Å; D86-H156 PolarHBondContact OD1-ND1 2.83Å; A88-H156 WeakPolarHBondContact CB-NE2 3.42Å; H156-G158 PolarHBondContact O-N 3.27Å |
| 157 | N | 91 | Very high | 88.4 | Confident | 86 Ų | 86 | 39.7 Ų | 39.7 | 46% | 0.46 | 21% | 0.206 | S | C | . | . | trans | -68.7 | -26.3 | -177.5 | -61 | -72.5 | 0 | 0 | 0 | 111.4 | Y54 D86 | Y54-N157 WeakPolarHBondContact CD2-O 3.04Å; Y54-N157 WeakPolarHBondContact CE2-O 3.18Å; D86-N157 HydrophobicContact CB-CB 4.16Å; D86-N157 WeakPolarHBondContact OD2-CB 3.13Å; D86-N157 PolarHBondContact OD2-N 3.16Å; D86-N157 PolarHBondContact OD2-ND2 2.83Å | ||
| 158 | G | 92.3 | Very high | 88 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.7 | -146.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D86 H156 | D86-G158 PolarHBondContact N-O 3.05Å; D86-G158 CarbonylContact O-C 3.55Å; D86-G158 WeakPolarHBondContact O-CA 3.41Å; D86-G158 PolarHBondContact O-N 3.48Å; H156-G158 PolarHBondContact O-N 3.27Å |
| 159 | F | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 156 | -176.3 | 57.1 | -108.2 | 0 | 0 | 0 | 114.2 | S50 W68 D84 F85 L87 L99 F148 L161 | S50-F159 PolarHBondContact N-O 3.2Å; S50-F159 VanDerWaalsContact N-O 3.09Å; S50-F159 PolarHBondContact OG-N 2.93Å; S50-F159 PolarHBondContact OG-O 2.91Å; W68-F159 HydrophobicContact CH2-CE2 4.18Å; W68-F159 AromaticContact CH2-CZ 3.96Å; W68-F159 HydrophobicContact CH2-CZ 3.96Å; W68-F159 HydrophobicContact CZ3-CE2 4.24Å; W68-F159 AromaticContact CZ3-CZ 3.92Å; W68-F159 HydrophobicContact CZ3-CZ 3.92Å; D84-F159 WeakPolarHBondContact O-CA 3.3Å; D84-F159 WeakPolarHBondContact O-CB 3.18Å; F85-F159 HydrophobicContact CD2-CB 3.52Å; F85-F159 HydrophobicContact CD2-CD1 4.25Å; F85-F159 HydrophobicContact CD2-CG 4.17Å; F85-F159 HydrophobicContact CE2-CB 4.05Å; F85-F159 AromaticContact CE2-CD1 3.89Å; F85-F159 HydrophobicContact CE2-CD1 3.89Å; F85-F159 HydrophobicContact CE2-CG 4.21Å; F85-F159 HydrophobicContact CG-CB 4.45Å; L87-F159 HydrophobicContact CD1-CD1 4.05Å; L87-F159 HydrophobicContact CD1-CE1 4.2Å; L87-F159 HydrophobicContact CD2-CD1 3.88Å; L87-F159 HydrophobicContact CD2-CE1 4.22Å; L87-F159 HydrophobicContact CG-CD1 4.14Å; L99-F159 HydrophobicContact CB-CE1 4.48Å; L99-F159 HydrophobicContact CD1-CE1 4.29Å; L99-F159 HydrophobicContact CD1-CZ 4.05Å; L99-F159 HydrophobicContact CD2-CE1 4.41Å; F148-F159 HydrophobicContact CB-CE1 4.21Å; F148-F159 HydrophobicContact CB-CZ 3.94Å; F148-F159 HydrophobicContact CD1-CE1 4.06Å; F148-F159 HydrophobicContact CD1-CZ 4.04Å; F148-F159 AromaticContact CD2-CE1 3.66Å; F148-F159 HydrophobicContact CD2-CE1 3.66Å; F148-F159 HydrophobicContact CD2-CZ 4.25Å; F148-F159 HydrophobicContact CE1-CE1 4.34Å; F148-F159 AromaticContact CE2-CE1 3.99Å; F148-F159 HydrophobicContact CE2-CE1 3.99Å; F148-F159 AromaticContact CG-CE1 3.71Å; F148-F159 HydrophobicContact CG-CE1 3.71Å; F148-F159 AromaticContact CG-CZ 3.82Å; F148-F159 HydrophobicContact CG-CZ 3.82Å; F148-F159 HydrophobicContact CZ-CE1 4.3Å; F159-L161 HydrophobicContact CB-CD2 4.37Å; F159-L161 HydrophobicContact CD2-CD1 4.05Å; F159-L161 HydrophobicContact CD2-CD2 4.15Å; F159-L161 HydrophobicContact CD2-CG 3.65Å; F159-L161 HydrophobicContact CE2-CD1 3.98Å; F159-L161 HydrophobicContact CE2-CG 4.09Å; F159-L161 HydrophobicContact CG-CD2 4.38Å; F159-L161 HydrophobicContact CG-CG 4.36Å |
| 160 | N | 92.3 | Very high | 87.2 | Confident | 15 Ų | 15 | 46.1 Ų | 46.1 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 116.5 | 160.2 | 176.6 | 19 | 0 | 0 | 0 | 108.9 | N47 Y49 Y54 V83 D84 | N47-N160 WeakPolarHBondContact CB-OD1 3.3Å; Y49-N160 HydrophobicContact CD1-CB 4.18Å; Y49-N160 HydrophobicContact CE1-CB 4.28Å; Y49-N160 WeakPolarHBondContact CE1-OD1 3.21Å; Y54-N160 HydrophobicContact CE1-CB 3.68Å; Y54-N160 WeakPolarHBondContact OH-CB 3.38Å; V83-N160 HydrophobicContact CB-CB 4.32Å; V83-N160 PolarHBondContact N-O 3.07Å; D84-N160 PolarHBondContact N-O 3.17Å; D84-N160 PolarHBondContact O-N 3.08Å; D84-N160 VanDerWaalsContact O-N 3.08Å |
| 161 | L | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.2 | 174.9 | -50.5 | 176.6 | 0 | 0 | 0 | 110.1 | N47 I48 I80 Q81 F85 L99 F135 L146 F159 | N47-L161 CarbonylContact C-O 3.57Å; N47-L161 VanDerWaalsContact CA-O 3.3Å; N47-L161 WeakPolarHBondContact CA-O 3.44Å; I48-L161 HydrophobicContact CB-CB 4.31Å; I48-L161 PolarHBondContact N-O 3.05Å; I48-L161 PolarHBondContact O-N 3.24Å; I80-L161 HydrophobicContact CG2-CB 4.05Å; Q81-L161 CarbonylContact O-C 3.59Å; Q81-L161 WeakPolarHBondContact O-CA 3.44Å; F85-L161 HydrophobicContact CD2-CD2 4.44Å; L99-L161 HydrophobicContact CD2-CD1 3.66Å; L99-L161 HydrophobicContact CD2-CD2 4.19Å; L99-L161 HydrophobicContact CD2-CG 4.5Å; F135-L161 HydrophobicContact CE1-CD2 3.99Å; F135-L161 HydrophobicContact CZ-CD2 3.67Å; L146-L161 HydrophobicContact CD2-CD1 3.58Å; F159-L161 HydrophobicContact CB-CD2 4.37Å; F159-L161 HydrophobicContact CD2-CD1 4.05Å; F159-L161 HydrophobicContact CD2-CD2 4.15Å; F159-L161 HydrophobicContact CD2-CG 3.65Å; F159-L161 HydrophobicContact CE2-CD1 3.98Å; F159-L161 HydrophobicContact CE2-CG 4.09Å; F159-L161 HydrophobicContact CG-CD2 4.38Å; F159-L161 HydrophobicContact CG-CG 4.36Å |
| 162 | R | 91 | Very high | 87 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 134.2 | 167.9 | -174.8 | 68.9 | -177.3 | 143.4 | 0.9 | 109.9 | N45 G46 N47 I80 Q81 V83 W205 D208 F210 D212 | N45-R162 PolarHBondContact ND2-NH2 3.27Å; G46-R162 VanDerWaalsContact CA-NH1 3.28Å; G46-R162 PolarHBondContact O-NH1 3.26Å; N47-R162 VanDerWaalsContact OD1-CD 3.3Å; N47-R162 WeakPolarHBondContact OD1-CD 3.36Å; N47-R162 PolarHBondContact OD1-NH1 3.5Å; I80-R162 CarbonylContact C-O 3.58Å; I80-R162 VanDerWaalsContact CA-O 3.23Å; I80-R162 WeakPolarHBondContact CA-O 3.48Å; Q81-R162 PolarHBondContact N-O 3.07Å; Q81-R162 PolarHBondContact O-N 3.08Å; V83-R162 HydrophobicContact CG2-CB 3.73Å; R162-W205 HydrophobicContact CB-CH2 4.21Å; R162-W205 HydrophobicContact CB-CZ2 4.31Å; R162-W205 HydrophobicContact CB-CZ3 4.42Å; R162-W205 HydrophobicContact CG-CD2 3.81Å; R162-W205 HydrophobicContact CG-CE3 4.05Å; R162-W205 HydrophobicContact CG-CG 4.44Å; R162-W205 HydrophobicContact CG-CH2 3.91Å; R162-W205 HydrophobicContact CG-CZ2 3.6Å; R162-W205 HydrophobicContact CG-CZ3 4.11Å; R162-D208 IonicContact CZ-OD1 2.87Å; R162-D208 IonicContact CZ-OD2 2.69Å; R162-D208 IonicContact NE-OD2 3.22Å; R162-D208 IonicContact NH2-OD1 3.89Å; R162-D208 PolarHBondContact NH2-OD1 3.47Å; R162-D208 IonicContact NH2-OD2 3.97Å; R162-D208 PolarHBondContact NH2-OD2 2.86Å; R162-F210 VanDerWaalsContact NH1-CE1 3.29Å; R162-D212 WeakPolarHBondContact CB-OD1 3.19Å; R162-D212 WeakPolarHBondContact CD-OD1 2.89Å; R162-D212 VanDerWaalsContact CD-OD2 3.27Å; R162-D212 WeakPolarHBondContact CD-OD2 3.13Å; R162-D212 WeakPolarHBondContact CG-OD1 3.31Å; R162-D212 WeakPolarHBondContact CG-OD2 3.26Å; R162-D212 IonicContact NE-OD1 3.94Å; R162-D212 IonicContact NE-OD2 2.73Å; R162-D212 PolarHBondContact NE-OD2 2.95Å; R162-D212 VanDerWaalsContact NE-OD2 3.13Å |
| 163 | Y | 93.1 | Very high | 87 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 154.2 | 169.6 | 74.2 | -89.5 | 0 | 0 | 0 | 113.3 | I41 S43 N45 G46 I48 I70 I79 | I41-Y163 HydrophobicContact CG2-CE1 4.16Å; I41-Y163 HydrophobicContact CG2-CE2 3.97Å; I41-Y163 VanDerWaalsContact CG2-CZ 3.48Å; I41-Y163 WeakPolarHBondContact CG2-OH 3.44Å; S43-Y163 PolarHBondContact OG-OH 2.9Å; N45-Y163 VanDerWaalsContact C-CE2 3.48Å; N45-Y163 VanDerWaalsContact C-CZ 3.49Å; N45-Y163 WeakPolarHBondContact CA-O 3.34Å; N45-Y163 PolarHBondContact O-OH 3.05Å; G46-Y163 VanDerWaalsContact CA-CE1 3.47Å; G46-Y163 VanDerWaalsContact N-CZ 3.35Å; G46-Y163 PolarHBondContact N-O 2.94Å; G46-Y163 WeakPolarHBondContact O-CD1 3.01Å; G46-Y163 WeakPolarHBondContact O-CE1 3.46Å; G46-Y163 PolarHBondContact O-N 2.68Å; I48-Y163 HydrophobicContact CD1-CD1 4.06Å; I48-Y163 HydrophobicContact CD1-CE1 4.34Å; I48-Y163 HydrophobicContact CG1-CD1 3.93Å; I48-Y163 HydrophobicContact CG1-CE1 3.97Å; I70-Y163 HydrophobicContact CD1-CD1 4.27Å; I70-Y163 HydrophobicContact CD1-CD2 4.23Å; I70-Y163 HydrophobicContact CD1-CG 4Å; I70-Y163 HydrophobicContact CG2-CD2 4.26Å; I70-Y163 HydrophobicContact CG2-CE2 4.26Å; I79-Y163 CarbonylContact O-C 3.54Å; I79-Y163 WeakPolarHBondContact O-CA 3.38Å |
| 164 | S | 89.8 | Confident | 87.5 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 148.1 | 174.3 | -172 | 0 | 0 | 0 | 0 | 112.8 | P44 I79 | P44-S164 CarbonylContact O-C 3.52Å; P44-S164 WeakPolarHBondContact O-CA 3.34Å; I79-S164 WeakPolarHBondContact CG2-O 3.28Å; I79-S164 PolarHBondContact N-O 2.99Å; I79-S164 PolarHBondContact O-N 2.73Å |
| 165 | A | 86.1 | Confident | 87.7 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 17% | 0.165 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 119.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | P44 V72 D76 R77 | P44-A165 HydrophobicContact CB-CB 3.97Å; P44-A165 WeakPolarHBondContact O-CB 3.49Å; P44-A165 PolarHBondContact O-N 3.49Å; V72-A165 HydrophobicContact CB-CB 4.01Å; V72-A165 HydrophobicContact CG1-CB 3.96Å; V72-A165 HydrophobicContact CG2-CB 4.18Å; D76-A165 HydrophobicContact CB-CB 4.08Å; R77-A165 CarbonylContact O-C 3.53Å; R77-A165 WeakPolarHBondContact O-CA 3.09Å |
| 166 | I | 85.5 | Confident | 87.2 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.4 | 179 | 63.4 | 170.1 | 0 | 0 | 0 | 110.8 | R77 I79 L138 L170 A171 I204 | R77-I166 PolarHBondContact N-O 3.2Å; R77-I166 WeakPolarHBondContact O-CG1 3.48Å; R77-I166 PolarHBondContact O-N 2.81Å; I79-I166 HydrophobicContact CB-CD1 4.06Å; I79-I166 HydrophobicContact CB-CG1 4.45Å; I79-I166 HydrophobicContact CD1-CD1 4.08Å; I79-I166 HydrophobicContact CG2-CD1 4.23Å; I79-I166 HydrophobicContact CG2-CG1 4.42Å; I79-I166 HydrophobicContact CG2-CG2 3.77Å; L138-I166 HydrophobicContact CD1-CD1 3.8Å; L138-I166 HydrophobicContact CD1-CG1 4.32Å; I166-L170 HydrophobicContact CB-CB 4.46Å; I166-L170 HydrophobicContact CB-CD2 4.11Å; I166-L170 HydrophobicContact CB-CG 4.42Å; I166-L170 HydrophobicContact CD1-CG 4.37Å; I166-L170 HydrophobicContact CG2-CD2 3.87Å; I166-A171 HydrophobicContact CD1-CB 3.92Å; I166-A171 HydrophobicContact CG1-CB 4.22Å; I166-I204 HydrophobicContact CG2-CD1 3.51Å |
| 167 | N | 85.2 | Confident | 86.4 | Confident | 81 Ų | 81 | 41.9 Ų | 41.9 | 43% | 0.433 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 160.1 | 175 | 66.1 | 61.7 | 0 | 0 | 0 | 111.5 | N169 L170 A171 | N167-N169 PolarHBondContact O-N 3.28Å; N167-N169 VanDerWaalsContact O-N 3.08Å; N167-N169 WeakPolarHBondContact OD1-CB 3.45Å; N167-N169 PolarHBondContact OD1-N 3.49Å; N167-L170 PolarHBondContact O-N 3.3Å; N167-L170 PolarHBondContact OD1-N 3.29Å; N167-A171 PolarHBondContact O-N 2.9Å |
| 168 | N | 82.7 | Confident | 84.7 | Confident | 73 Ų | 73 | 42.2 Ų | 42.2 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.3 | -21.1 | -178.6 | -80.6 | -46.1 | 0 | 0 | 0 | 115.6 | Q75 R77 K172 | Q75-N168 PolarHBondContact O-ND2 2.83Å; R77-N168 VanDerWaalsContact CD-OD1 3.28Å; R77-N168 WeakPolarHBondContact CD-OD1 3.36Å; N168-K172 WeakPolarHBondContact O-CD 3.32Å; N168-K172 VanDerWaalsContact O-CG 3.28Å; N168-K172 WeakPolarHBondContact O-CG 3.2Å; N168-K172 PolarHBondContact O-N 2.88Å |
| 169 | N | 83.9 | Confident | 82.7 | Confident | 121 Ų | 121 | 50 Ų | 50 | 65% | 0.647 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -75.7 | -45.8 | 176.8 | -65.3 | -22 | 0 | 0 | 0 | 110.7 | N167 I173 | N167-N169 PolarHBondContact O-N 3.28Å; N167-N169 VanDerWaalsContact O-N 3.08Å; N167-N169 WeakPolarHBondContact OD1-CB 3.45Å; N167-N169 PolarHBondContact OD1-N 3.49Å; N169-I173 WeakPolarHBondContact O-CG1 3.5Å; N169-I173 PolarHBondContact O-N 3.27Å |
| 170 | L | 82.9 | Confident | 80.9 | Confident | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 175.6 | -178.2 | 57.3 | 0 | 0 | 0 | 111.4 | I166 N167 K172 I173 V174 F191 I204 | I166-L170 HydrophobicContact CB-CB 4.46Å; I166-L170 HydrophobicContact CB-CD2 4.11Å; I166-L170 HydrophobicContact CB-CG 4.42Å; I166-L170 HydrophobicContact CD1-CG 4.37Å; I166-L170 HydrophobicContact CG2-CD2 3.87Å; N167-L170 PolarHBondContact O-N 3.3Å; N167-L170 PolarHBondContact OD1-N 3.29Å; L170-K172 PolarHBondContact O-N 2.93Å; L170-I173 PolarHBondContact O-N 3.21Å; L170-V174 HydrophobicContact CD1-CG2 4.41Å; L170-V174 WeakPolarHBondContact O-CG2 3.28Å; L170-V174 PolarHBondContact O-N 3.4Å; L170-F191 HydrophobicContact CD1-CB 4Å; L170-I204 HydrophobicContact CD2-CD1 4Å; L170-I204 HydrophobicContact CD2-CG1 4.49Å; L170-I204 HydrophobicContact CD2-CG2 3.84Å |
| 171 | A | 86.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R77 L138 I166 N167 I173 V174 E175 | R77-A171 HydrophobicContact CB-CB 4.48Å; L138-A171 HydrophobicContact CD1-CB 4.49Å; L138-A171 HydrophobicContact CD2-CB 4.34Å; I166-A171 HydrophobicContact CD1-CB 3.92Å; I166-A171 HydrophobicContact CG1-CB 4.22Å; N167-A171 PolarHBondContact O-N 2.9Å; A171-I173 VanDerWaalsContact C-N 3.33Å; A171-I173 PolarHBondContact O-N 3.15Å; A171-V174 PolarHBondContact O-N 3.15Å; A171-E175 WeakPolarHBondContact O-CG 3.18Å; A171-E175 PolarHBondContact O-N 3.09Å |
| 172 | K | 86 | Confident | 77.2 | Confident | 134 Ų | 134 | 58.5 Ų | 58.5 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.2 | -38 | 177.6 | -74.2 | 171.9 | -178.2 | -179.1 | 0 | 113.6 | N168 L170 E175 S176 | N168-K172 WeakPolarHBondContact O-CD 3.32Å; N168-K172 VanDerWaalsContact O-CG 3.28Å; N168-K172 WeakPolarHBondContact O-CG 3.2Å; N168-K172 PolarHBondContact O-N 2.88Å; L170-K172 PolarHBondContact O-N 2.93Å; K172-E175 PolarHBondContact O-N 3.37Å; K172-S176 PolarHBondContact O-N 2.94Å |
| 173 | I | 84 | Confident | 75.4 | Confident | 74 Ų | 74 | 65 Ų | 65 | 38% | 0.379 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 176.3 | -64.9 | 166.3 | 0 | 0 | 0 | 109.2 | N169 L170 A171 E175 S176 S177 F191 | N169-I173 WeakPolarHBondContact O-CG1 3.5Å; N169-I173 PolarHBondContact O-N 3.27Å; L170-I173 PolarHBondContact O-N 3.21Å; A171-I173 VanDerWaalsContact C-N 3.33Å; A171-I173 PolarHBondContact O-N 3.15Å; I173-E175 PolarHBondContact O-N 3.21Å; I173-S176 PolarHBondContact O-N 2.78Å; I173-S176 PolarHBondContact O-OG 3.27Å; I173-S177 PolarHBondContact O-N 2.87Å; I173-F191 HydrophobicContact CG2-CB 4.22Å; I173-F191 HydrophobicContact CG2-CD1 3.61Å; I173-F191 HydrophobicContact CG2-CE1 4.44Å; I173-F191 HydrophobicContact CG2-CG 4.19Å |
| 174 | V | 85.3 | Confident | 73.7 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | I79 L138 L170 A171 S176 S177 S178 F191 | I79-V174 HydrophobicContact CD1-CB 4.46Å; I79-V174 HydrophobicContact CD1-CG1 3.82Å; I79-V174 HydrophobicContact CD1-CG2 4.17Å; L138-V174 HydrophobicContact CD2-CB 4Å; L138-V174 HydrophobicContact CD2-CG1 3.93Å; L170-V174 HydrophobicContact CD1-CG2 4.41Å; L170-V174 WeakPolarHBondContact O-CG2 3.28Å; L170-V174 PolarHBondContact O-N 3.4Å; A171-V174 PolarHBondContact O-N 3.15Å; V174-S176 VanDerWaalsContact C-N 3.33Å; V174-S176 PolarHBondContact O-N 3.38Å; V174-S177 WeakPolarHBondContact O-CB 3.39Å; V174-S177 PolarHBondContact O-N 3.4Å; V174-S177 PolarHBondContact O-OG 3.23Å; V174-S178 PolarHBondContact O-OG 3.16Å; V174-F191 HydrophobicContact CG2-CD2 3.79Å; V174-F191 HydrophobicContact CG2-CE2 3.95Å; V174-F191 HydrophobicContact CG2-CG 4.25Å |
| 175 | E | 83.5 | Confident | 73 | Confident | 84 Ų | 84 | 73.7 Ų | 73.7 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.5 | -43.1 | 177 | -74 | 175.2 | 138.3 | 0 | 0 | 112.5 | R77 L138 A171 K172 I173 S177 S178 | R77-E175 IonicContact CZ-OE1 3.27Å; R77-E175 IonicContact CZ-OE2 3.91Å; R77-E175 IonicContact NH1-OE1 3.96Å; R77-E175 PolarHBondContact NH1-OE1 3.43Å; R77-E175 IonicContact NH1-OE2 3.72Å; R77-E175 PolarHBondContact NH1-OE2 2.79Å; R77-E175 IonicContact NH2-OE1 3.57Å; R77-E175 PolarHBondContact NH2-OE1 3.12Å; L138-E175 HydrophobicContact CD2-CG 3.68Å; A171-E175 WeakPolarHBondContact O-CG 3.18Å; A171-E175 PolarHBondContact O-N 3.09Å; K172-E175 PolarHBondContact O-N 3.37Å; I173-E175 PolarHBondContact O-N 3.21Å; E175-S177 PolarHBondContact O-N 3.49Å; E175-S178 WeakPolarHBondContact CA-OG 3.24Å; E175-S178 WeakPolarHBondContact O-CB 3.47Å; E175-S178 PolarHBondContact O-N 2.96Å; E175-S178 PolarHBondContact O-OG 3.27Å |
| 176 | S | 74.9 | Confident | 72.7 | Confident | 104 Ų | 104 | 79.1 Ų | 79.1 | 73% | 0.727 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.7 | -19.5 | 177.5 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | K172 I173 V174 | K172-S176 PolarHBondContact O-N 2.94Å; I173-S176 PolarHBondContact O-N 2.78Å; I173-S176 PolarHBondContact O-OG 3.27Å; V174-S176 VanDerWaalsContact C-N 3.33Å; V174-S176 PolarHBondContact O-N 3.38Å |
| 177 | S | 70.2 | Confident | 72.7 | Confident | 23 Ų | 23 | 80 Ų | 80 | 16% | 0.161 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 2.4 | -175.6 | 78.6 | 0 | 0 | 0 | 0 | 115.2 | I173 V174 E175 Q179 F191 | I173-S177 PolarHBondContact O-N 2.87Å; V174-S177 WeakPolarHBondContact O-CB 3.39Å; V174-S177 PolarHBondContact O-N 3.4Å; V174-S177 PolarHBondContact O-OG 3.23Å; E175-S177 PolarHBondContact O-N 3.49Å; S177-Q179 PolarHBondContact O-N 3.05Å; S177-F191 VanDerWaalsContact OG-CE1 3.31Å; S177-F191 WeakPolarHBondContact OG-CE1 3.35Å; S177-F191 WeakPolarHBondContact OG-CZ 3.35Å |
| 178 | S | 55.4 | Low | 72.7 | Confident | 93 Ų | 93 | 78.9 Ų | 78.9 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | trans | -65.1 | 39.9 | -158.6 | -58.9 | 0 | 0 | 0 | 0 | 118.1 | V174 E175 | V174-S178 PolarHBondContact O-OG 3.16Å; E175-S178 WeakPolarHBondContact CA-OG 3.24Å; E175-S178 WeakPolarHBondContact O-CB 3.47Å; E175-S178 PolarHBondContact O-N 2.96Å; E175-S178 PolarHBondContact O-OG 3.27Å | ||
| 179 | Q | 51.6 | Low | 72.7 | Confident | 164 Ų | 164 | 80.4 Ų | 80.4 | 77% | 0.766 | 46% | 0.457 | S | S | * | . | trans | -66.2 | 139.4 | 156.5 | -58.8 | -177.5 | 5.2 | 0 | 0 | 108.6 | S177 R185 | S177-Q179 PolarHBondContact O-N 3.05Å; Q179-R185 PolarHBondContact O-NH1 3.05Å | ||
| 180 | S | 54.6 | Low | 72.5 | Confident | 83 Ų | 83 | 77.9 Ų | 77.9 | 58% | 0.58 | 45% | 0.449 | S | S | * | . | trans | -62.8 | 153.7 | -176.7 | 46.9 | 0 | 0 | 0 | 0 | 112.6 | T182 R185 | S180-T182 PolarHBondContact O-N 3.23Å; S180-R185 WeakPolarHBondContact O-CD 2.77Å; S180-R185 PolarHBondContact O-NH1 3.01Å | ||
| 181 | I | 54.6 | Low | 72.5 | Confident | 31 Ų | 31 | 76.8 Ų | 76.8 | 16% | 0.159 | 44% | 0.443 | C | S | . | . | trans | -70.7 | 104.2 | 168.4 | -60 | -176.2 | 0 | 0 | 0 | 106.8 | Q81 S134 R136 | Q81-I181 HydrophobicContact CG-CD1 4.29Å; S134-I181 WeakPolarHBondContact OG-CG2 3.41Å; R136-I181 HydrophobicContact CB-CD1 3.52Å; R136-I181 HydrophobicContact CB-CG1 4.27Å | ||
| 182 | T | 54.2 | Low | 72.6 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | trans | -119.9 | 147.7 | 173.8 | 48.1 | 0 | 0 | 0 | 0 | 108.8 | S180 N184 R185 | S180-T182 PolarHBondContact O-N 3.23Å; T182-N184 PolarHBondContact O-N 3.36Å; T182-R185 PolarHBondContact O-N 3.44Å; T182-R185 VanDerWaalsContact O-N 3.15Å | ||
| 183 | V | 53.9 | Low | 72.7 | Confident | 136 Ų | 136 | 74.1 Ų | 74.1 | 82% | 0.824 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15.8 | -164.9 | -179.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 184 | N | 57.1 | Low | 72.9 | Confident | 162 Ų | 162 | 75.7 Ų | 75.7 | 87% | 0.866 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.2 | 19.9 | -177.7 | -76.8 | -35.9 | 0 | 0 | 0 | 114.9 | T182 | T182-N184 PolarHBondContact O-N 3.36Š|
| 185 | R | 74.2 | Confident | 72.9 | Confident | 43 Ų | 43 | 75.4 Ų | 75.4 | 16% | 0.162 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 149 | 177.9 | 84.2 | -176.4 | -161.6 | 172.3 | 10 | 112.9 | Q179 S180 T182 E192 | Q179-R185 PolarHBondContact O-NH1 3.05Å; S180-R185 WeakPolarHBondContact O-CD 2.77Å; S180-R185 PolarHBondContact O-NH1 3.01Å; T182-R185 PolarHBondContact O-N 3.44Å; T182-R185 VanDerWaalsContact O-N 3.15Å; R185-E192 IonicContact CZ-OE1 3.9Å; R185-E192 IonicContact CZ-OE2 3.95Å; R185-E192 IonicContact NE-OE2 3.95Å; R185-E192 VanDerWaalsContact NH2-CD 3.33Å; R185-E192 IonicContact NH2-OE1 3.2Å; R185-E192 PolarHBondContact NH2-OE1 2.86Å; R185-E192 IonicContact NH2-OE2 2.65Å; R185-E192 PolarHBondContact NH2-OE2 2.02Å |
| 186 | T | 79.7 | Confident | 72.9 | Confident | 134 Ų | 134 | 75.5 Ų | 75.5 | 82% | 0.822 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 125 | 164.7 | 49 | 0 | 0 | 0 | 0 | 109.7 | ||
| 187 | C | 85.3 | Confident | 73.3 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 15% | 0.149 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 138.1 | 178.4 | -47.6 | 0 | 0 | 0 | 0 | 111.6 | S189 E192 K194 C200 | C187-S189 PolarHBondContact O-N 3.26Å; C187-S189 VanDerWaalsContact O-N 3.14Å; C187-E192 VanDerWaalsContact CA-OE2 3.26Å; C187-E192 WeakPolarHBondContact CA-OE2 3.33Å; C187-E192 HydrophobicContact CB-CB 3.98Å; C187-K194 HydrophobicContact CB-CB 4.33Å; C187-C200 WeakPolarHBondContact CA-SG 3.46Å; C187-C200 HydrophobicContact CB-CB 3.75Å; C187-C200 WeakPolarHBondContact CB-SG 3.43Å; C187-C200 VanDerWaalsContact SG-CA 3.5Å; C187-C200 WeakPolarHBondContact SG-CB 3.16Å; C187-C200 CovalentContact SG-SG 2.04Å; C187-C200 PolarHBondContact SG-SG 3.26Å |
| 188 | D | 85.6 | Confident | 73.9 | Confident | 58 Ų | 58 | 76 Ų | 76 | 31% | 0.31 | 44% | 0.44 | S | S | . | . | trans | -70.3 | 109.7 | -179.7 | -172.9 | -36 | 0 | 0 | 0 | 110.4 | S190 F191 E192 | D188-S190 PolarHBondContact O-N 2.69Å; D188-S190 VanDerWaalsContact OD1-CB 3.26Å; D188-S190 WeakPolarHBondContact OD1-CB 3.48Å; D188-S190 PolarHBondContact OD1-N 3.49Å; D188-S190 PolarHBondContact OD1-OG 3.09Å; D188-F191 HydrophobicContact CB-CD1 4.28Å; D188-F191 HydrophobicContact CB-CE1 3.59Å; D188-F191 HydrophobicContact CB-CZ 3.94Å; D188-F191 VanDerWaalsContact CG-CE1 3.5Å; D188-F191 PolarHBondContact O-N 3.37Å; D188-F191 WeakPolarHBondContact OD2-CE1 3.26Å; D188-E192 HydrophobicContact CB-CG 4.18Å; D188-E192 PolarHBondContact N-OE2 3.32Å; D188-E192 WeakPolarHBondContact O-CA 3.25Å; D188-E192 VanDerWaalsContact O-CB 3.23Å; D188-E192 WeakPolarHBondContact O-CB 3.27Å; D188-E192 PolarHBondContact O-N 3.01Å | ||
| 189 | S | 82.9 | Confident | 75.3 | Confident | 104 Ų | 104 | 73.8 Ų | 73.8 | 73% | 0.727 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -6.6 | -175.4 | 67.8 | 0 | 0 | 0 | 0 | 114.4 | C187 K203 | C187-S189 PolarHBondContact O-N 3.26Å; C187-S189 VanDerWaalsContact O-N 3.14Å; S189-K203 WeakPolarHBondContact O-CE 3.17Å; S189-K203 PolarHBondContact O-NZ 3.36Å |
| 190 | S | 80.4 | Confident | 77 | Confident | 68 Ų | 68 | 66.3 Ų | 66.3 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -45.8 | 175.8 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | D188 K203 | D188-S190 PolarHBondContact O-N 2.69Å; D188-S190 VanDerWaalsContact OD1-CB 3.26Å; D188-S190 WeakPolarHBondContact OD1-CB 3.48Å; D188-S190 PolarHBondContact OD1-N 3.49Å; D188-S190 PolarHBondContact OD1-OG 3.09Å; S190-K203 PolarHBondContact O-NZ 3.24Å |
| 191 | F | 82.6 | Confident | 78.6 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 4% | 0.044 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | -9.4 | -178.1 | 69.1 | -86 | 0 | 0 | 0 | 115.4 | L170 I173 V174 S177 D188 L202 K203 | L170-F191 HydrophobicContact CD1-CB 4Å; I173-F191 HydrophobicContact CG2-CB 4.22Å; I173-F191 HydrophobicContact CG2-CD1 3.61Å; I173-F191 HydrophobicContact CG2-CE1 4.44Å; I173-F191 HydrophobicContact CG2-CG 4.19Å; V174-F191 HydrophobicContact CG2-CD2 3.79Å; V174-F191 HydrophobicContact CG2-CE2 3.95Å; V174-F191 HydrophobicContact CG2-CG 4.25Å; S177-F191 VanDerWaalsContact OG-CE1 3.31Å; S177-F191 WeakPolarHBondContact OG-CE1 3.35Å; S177-F191 WeakPolarHBondContact OG-CZ 3.35Å; D188-F191 HydrophobicContact CB-CD1 4.28Å; D188-F191 HydrophobicContact CB-CE1 3.59Å; D188-F191 HydrophobicContact CB-CZ 3.94Å; D188-F191 VanDerWaalsContact CG-CE1 3.5Å; D188-F191 PolarHBondContact O-N 3.37Å; D188-F191 WeakPolarHBondContact OD2-CE1 3.26Å; F191-L202 HydrophobicContact CD2-CD2 3.75Å; F191-L202 HydrophobicContact CE2-CD2 3.94Å; F191-K203 WeakPolarHBondContact O-CG 3.11Å; F191-K203 PolarHBondContact O-N 2.65Å |
| 192 | E | 89.3 | Confident | 80 | Confident | 7 Ų | 7 | 61 Ų | 61 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 163.2 | 177.4 | -53.3 | -163.6 | 118.6 | 0 | 0 | 113.3 | R136 R185 C187 D188 I201 K203 | R136-E192 IonicContact CZ-OE1 3.71Å; R136-E192 IonicContact NH1-OE1 3.16Å; R136-E192 PolarHBondContact NH1-OE1 2.03Å; R136-E192 IonicContact NH2-OE1 3.48Å; R136-E192 PolarHBondContact NH2-OE1 2.94Å; R185-E192 IonicContact CZ-OE1 3.9Å; R185-E192 IonicContact CZ-OE2 3.95Å; R185-E192 IonicContact NE-OE2 3.95Å; R185-E192 VanDerWaalsContact NH2-CD 3.33Å; R185-E192 IonicContact NH2-OE1 3.2Å; R185-E192 PolarHBondContact NH2-OE1 2.86Å; R185-E192 IonicContact NH2-OE2 2.65Å; R185-E192 PolarHBondContact NH2-OE2 2.02Å; C187-E192 VanDerWaalsContact CA-OE2 3.26Å; C187-E192 WeakPolarHBondContact CA-OE2 3.33Å; C187-E192 HydrophobicContact CB-CB 3.98Å; D188-E192 HydrophobicContact CB-CG 4.18Å; D188-E192 PolarHBondContact N-OE2 3.32Å; D188-E192 WeakPolarHBondContact O-CA 3.25Å; D188-E192 VanDerWaalsContact O-CB 3.23Å; D188-E192 WeakPolarHBondContact O-CB 3.27Å; D188-E192 PolarHBondContact O-N 3.01Å; E192-I201 CarbonylContact C-O 3.49Å; E192-I201 WeakPolarHBondContact CA-O 3.46Å; E192-I201 WeakPolarHBondContact CB-O 3.36Å; E192-K203 WeakPolarHBondContact O-CE 3.43Å; E192-K203 WeakPolarHBondContact O-CG 3.3Å |
| 193 | W | 86.5 | Confident | 81.4 | Confident | 72 Ų | 72 | 62 Ų | 62 | 27% | 0.273 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.3 | 165.6 | -173.4 | 76.7 | 0 | 0 | 0 | 110.1 | I201 K203 R206 D218 | W193-I201 HydrophobicContact CB-CG1 4.38Å; W193-I201 HydrophobicContact CE3-CD1 3.95Å; W193-I201 HydrophobicContact CE3-CG1 4.06Å; W193-I201 HydrophobicContact CZ3-CD1 4.49Å; W193-I201 PolarHBondContact N-O 3.47Å; W193-I201 PolarHBondContact O-N 3.48Å; W193-K203 HydrophobicContact CB-CG 4.37Å; W193-R206 HydrophobicContact CB-CG 4.3Å; W193-R206 VanDerWaalsContact CD2-CD 3.48Å; W193-R206 HydrophobicContact CD2-CG 4.17Å; W193-R206 HydrophobicContact CE3-CG 4.12Å; W193-R206 HydrophobicContact CG-CG 4.26Å; W193-D218 HydrophobicContact CZ3-CB 4.05Å |
| 194 | K | 88.3 | Confident | 82.6 | Confident | 107 Ų | 107 | 59 Ų | 59 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 115.2 | -176.9 | -174.2 | 172.7 | -178.8 | -178.5 | 0 | 110.1 | C187 S198 | C187-K194 HydrophobicContact CB-CB 4.33Å; K194-S198 WeakPolarHBondContact CE-OG 3.33Å; K194-S198 PolarHBondContact NZ-OG 3.46Å |
| 195 | C | 85.7 | Confident | 83.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | trans | -60.3 | 154.8 | 168.7 | -61.4 | 0 | 0 | 0 | 0 | 110.8 | T197 S198 Q199 C213 | C195-T197 PolarHBondContact O-N 2.7Å; C195-S198 WeakPolarHBondContact O-CA 2.99Å; C195-S198 PolarHBondContact O-N 3.01Å; C195-Q199 HydrophobicContact CB-CB 4.09Å; C195-Q199 WeakPolarHBondContact CB-O 3Å; C195-Q199 PolarHBondContact N-O 3.04Å; C195-C213 HydrophobicContact CB-CB 3.81Å; C195-C213 WeakPolarHBondContact CB-SG 3.47Å; C195-C213 WeakPolarHBondContact SG-CA 3.46Å; C195-C213 WeakPolarHBondContact SG-CB 3.34Å; C195-C213 CovalentContact SG-SG 2.04Å; C195-C213 PolarHBondContact SG-SG 2.83Å | ||
| 196 | P | 84.3 | Confident | 84.1 | Confident | 86 Ų | 86 | 52.8 Ų | 52.8 | 56% | 0.558 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -33.1 | 173.5 | -27.5 | 37.6 | 0 | 0 | 0 | 113.5 | S198 E217 | P196-S198 PolarHBondContact O-N 3.01Å; P196-E217 HydrophobicContact CG-CB 3.76Å; P196-E217 HydrophobicContact CG-CG 3.85Å |
| 197 | T | 82 | Confident | 83.7 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 49% | 0.485 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 9.3 | 174.2 | 52 | 0 | 0 | 0 | 0 | 114.6 | C195 Q199 S214 | C195-T197 PolarHBondContact O-N 2.7Å; T197-Q199 PolarHBondContact O-N 2.98Å; T197-S214 WeakPolarHBondContact CG2-OG 3.42Å; T197-S214 PolarHBondContact OG1-OG 3.48Å; T197-S214 VanDerWaalsContact OG1-OG 3.05Å |
| 198 | S | 82.7 | Confident | 82.9 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 41% | 0.406 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 67.8 | 1.9 | -177.9 | -61.7 | 0 | 0 | 0 | 0 | 117.7 | K194 C195 P196 | K194-S198 WeakPolarHBondContact CE-OG 3.33Å; K194-S198 PolarHBondContact NZ-OG 3.46Å; C195-S198 WeakPolarHBondContact O-CA 2.99Å; C195-S198 PolarHBondContact O-N 3.01Å; P196-S198 PolarHBondContact O-N 3.01Å |
| 199 | Q | 85.5 | Confident | 81.9 | Confident | 47 Ų | 47 | 45 Ų | 45 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | trans | -60.7 | 144.2 | 166.3 | -172.3 | 173.9 | 11 | 0 | 0 | 111.3 | V83 C195 T197 | V83-Q199 PolarHBondContact O-NE2 3.06Å; C195-Q199 HydrophobicContact CB-CB 4.09Å; C195-Q199 WeakPolarHBondContact CB-O 3Å; C195-Q199 PolarHBondContact N-O 3.04Å; T197-Q199 PolarHBondContact O-N 2.98Å | ||
| 200 | C | 88 | Confident | 81.4 | Confident | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.4 | 176.5 | -55 | 0 | 0 | 0 | 0 | 110.4 | Q81 R136 C187 | Q81-C200 PolarHBondContact NE2-O 2.9Å; R136-C200 PolarHBondContact NH2-O 3.14Å; C187-C200 WeakPolarHBondContact CA-SG 3.46Å; C187-C200 HydrophobicContact CB-CB 3.75Å; C187-C200 WeakPolarHBondContact CB-SG 3.43Å; C187-C200 VanDerWaalsContact SG-CA 3.5Å; C187-C200 WeakPolarHBondContact SG-CB 3.16Å; C187-C200 CovalentContact SG-SG 2.04Å; C187-C200 PolarHBondContact SG-SG 3.26Å |
| 201 | I | 87.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 164.4 | 174.8 | 64.3 | 162.9 | 0 | 0 | 0 | 110 | E192 W193 W205 R206 D212 D218 | E192-I201 CarbonylContact C-O 3.49Å; E192-I201 WeakPolarHBondContact CA-O 3.46Å; E192-I201 WeakPolarHBondContact CB-O 3.36Å; W193-I201 HydrophobicContact CB-CG1 4.38Å; W193-I201 HydrophobicContact CE3-CD1 3.95Å; W193-I201 HydrophobicContact CE3-CG1 4.06Å; W193-I201 HydrophobicContact CZ3-CD1 4.49Å; W193-I201 PolarHBondContact N-O 3.47Å; W193-I201 PolarHBondContact O-N 3.48Å; I201-W205 HydrophobicContact CB-CE3 4.28Å; I201-R206 HydrophobicContact CD1-CG 4.25Å; I201-D212 HydrophobicContact CB-CB 4.36Å; I201-D212 HydrophobicContact CD1-CB 4.25Å; I201-D212 HydrophobicContact CG2-CB 3.83Å; I201-D212 WeakPolarHBondContact CG2-O 2.91Å; I201-D218 HydrophobicContact CD1-CB 3.59Å |
| 202 | L | 84.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 145.2 | 174.1 | -54.7 | 176.8 | 0 | 0 | 0 | 110.2 | I79 F191 I204 W205 | I79-L202 HydrophobicContact CD1-CD1 3.76Å; I79-L202 HydrophobicContact CD1-CD2 4.3Å; I79-L202 HydrophobicContact CG1-CD1 4.23Å; I79-L202 HydrophobicContact CG2-CD1 3.74Å; F191-L202 HydrophobicContact CD2-CD2 3.75Å; F191-L202 HydrophobicContact CE2-CD2 3.94Å; L202-I204 HydrophobicContact CB-CG1 3.72Å; L202-I204 HydrophobicContact CD1-CD1 4.1Å; L202-I204 HydrophobicContact CD1-CG1 4.14Å; L202-I204 PolarHBondContact O-N 3.36Å; L202-W205 HydrophobicContact CB-CD2 3.93Å; L202-W205 HydrophobicContact CB-CE3 4Å; L202-W205 HydrophobicContact CB-CG 4.22Å; L202-W205 HydrophobicContact CB-CZ3 4.49Å; L202-W205 HydrophobicContact CD1-CD2 4.04Å; L202-W205 HydrophobicContact CD1-CE3 4.2Å; L202-W205 HydrophobicContact CD1-CH2 3.74Å; L202-W205 HydrophobicContact CD1-CZ2 3.59Å; L202-W205 HydrophobicContact CD1-CZ3 4.05Å; L202-W205 HydrophobicContact CG-CD2 4.08Å; L202-W205 HydrophobicContact CG-CE3 3.89Å; L202-W205 HydrophobicContact CG-CH2 4.08Å; L202-W205 HydrophobicContact CG-CZ2 4.31Å; L202-W205 HydrophobicContact CG-CZ3 3.87Å; L202-W205 WeakPolarHBondContact O-CB 3.12Å; L202-W205 PolarHBondContact O-N 3.42Å |
| 203 | K | 83.3 | Confident | 81.1 | Confident | 99 Ų | 99 | 38.9 Ų | 38.9 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -59.6 | -28.3 | 174.6 | -73.3 | 175.7 | -173.8 | 177 | 0 | 113.4 | S189 S190 F191 E192 W193 W205 R206 | S189-K203 WeakPolarHBondContact O-CE 3.17Å; S189-K203 PolarHBondContact O-NZ 3.36Å; S190-K203 PolarHBondContact O-NZ 3.24Å; F191-K203 WeakPolarHBondContact O-CG 3.11Å; F191-K203 PolarHBondContact O-N 2.65Å; E192-K203 WeakPolarHBondContact O-CE 3.43Å; E192-K203 WeakPolarHBondContact O-CG 3.3Å; W193-K203 HydrophobicContact CB-CG 4.37Å; K203-W205 PolarHBondContact O-N 3.2Å; K203-R206 PolarHBondContact O-N 2.79Å |
| 204 | I | 79.5 | Confident | 80.7 | Confident | 72 Ų | 72 | 39.4 Ų | 39.4 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -69.9 | -13.5 | 176.2 | 61 | 163.9 | 0 | 0 | 0 | 113.3 | I166 L170 L202 | I166-I204 HydrophobicContact CG2-CD1 3.51Å; L170-I204 HydrophobicContact CD2-CD1 4Å; L170-I204 HydrophobicContact CD2-CG1 4.49Å; L170-I204 HydrophobicContact CD2-CG2 3.84Å; L202-I204 HydrophobicContact CB-CG1 3.72Å; L202-I204 HydrophobicContact CD1-CD1 4.1Å; L202-I204 HydrophobicContact CD1-CG1 4.14Å; L202-I204 PolarHBondContact O-N 3.36Å |
| 205 | W | 82 | Confident | 80.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -96.5 | 0.4 | 176.3 | -64.8 | -23.1 | 0 | 0 | 0 | 113.3 | I79 Q81 R162 I201 L202 K203 D208 D212 | I79-W205 HydrophobicContact CG2-CZ2 4.09Å; Q81-W205 HydrophobicContact CB-CH2 3.49Å; Q81-W205 VanDerWaalsContact CB-CH2 3.49Å; Q81-W205 HydrophobicContact CB-CZ3 3.57Å; Q81-W205 HydrophobicContact CG-CZ3 4.2Å; R162-W205 HydrophobicContact CB-CH2 4.21Å; R162-W205 HydrophobicContact CB-CZ2 4.31Å; R162-W205 HydrophobicContact CB-CZ3 4.42Å; R162-W205 HydrophobicContact CG-CD2 3.81Å; R162-W205 HydrophobicContact CG-CE3 4.05Å; R162-W205 HydrophobicContact CG-CG 4.44Å; R162-W205 HydrophobicContact CG-CH2 3.91Å; R162-W205 HydrophobicContact CG-CZ2 3.6Å; R162-W205 HydrophobicContact CG-CZ3 4.11Å; I201-W205 HydrophobicContact CB-CE3 4.28Å; L202-W205 HydrophobicContact CB-CD2 3.93Å; L202-W205 HydrophobicContact CB-CE3 4Å; L202-W205 HydrophobicContact CB-CG 4.22Å; L202-W205 HydrophobicContact CB-CZ3 4.49Å; L202-W205 HydrophobicContact CD1-CD2 4.04Å; L202-W205 HydrophobicContact CD1-CE3 4.2Å; L202-W205 HydrophobicContact CD1-CH2 3.74Å; L202-W205 HydrophobicContact CD1-CZ2 3.59Å; L202-W205 HydrophobicContact CD1-CZ3 4.05Å; L202-W205 HydrophobicContact CG-CD2 4.08Å; L202-W205 HydrophobicContact CG-CE3 3.89Å; L202-W205 HydrophobicContact CG-CH2 4.08Å; L202-W205 HydrophobicContact CG-CZ2 4.31Å; L202-W205 HydrophobicContact CG-CZ3 3.87Å; L202-W205 WeakPolarHBondContact O-CB 3.12Å; L202-W205 PolarHBondContact O-N 3.42Å; K203-W205 PolarHBondContact O-N 3.2Å; W205-D208 WeakPolarHBondContact CA-OD2 2.99Å; W205-D208 VanDerWaalsContact CD1-OD2 3.23Å; W205-D212 HydrophobicContact CB-CB 4.46Å; W205-D212 WeakPolarHBondContact CB-OD2 3.06Å |
| 206 | R | 80.3 | Confident | 79.7 | Confident | 75 Ų | 75 | 37.9 Ų | 37.9 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 129.4 | 166.4 | -70.7 | -154.4 | 71.2 | -156.5 | -11.2 | 110.1 | W193 I201 K203 D208 D218 I220 | W193-R206 HydrophobicContact CB-CG 4.3Å; W193-R206 VanDerWaalsContact CD2-CD 3.48Å; W193-R206 HydrophobicContact CD2-CG 4.17Å; W193-R206 HydrophobicContact CE3-CG 4.12Å; W193-R206 HydrophobicContact CG-CG 4.26Å; I201-R206 HydrophobicContact CD1-CG 4.25Å; K203-R206 PolarHBondContact O-N 2.79Å; R206-D208 PolarHBondContact O-N 2.98Å; R206-D218 PolarHBondContact NH2-O 3.45Å; R206-I220 PolarHBondContact NH2-O 2.87Å |
| 207 | C | 70.5 | Confident | 79.6 | Confident | 28 Ų | 28 | 36.1 Ų | 36.1 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 32.6 | 174.6 | -59.3 | 0 | 0 | 0 | 0 | 113 | D218 E219 C222 | C207-D218 PolarHBondContact SG-O 3.28Å; C207-E219 WeakPolarHBondContact CA-OE1 3.3Å; C207-E219 PolarHBondContact N-OE1 3.31Å; C207-C222 HydrophobicContact CB-CB 3.48Å; C207-C222 VanDerWaalsContact CB-CB 3.48Å; C207-C222 WeakPolarHBondContact CB-SG 3.49Å; C207-C222 WeakPolarHBondContact SG-CA 3.4Å; C207-C222 WeakPolarHBondContact SG-CB 3.32Å; C207-C222 CovalentContact SG-SG 2.02Å; C207-C222 PolarHBondContact SG-SG 3.35Å |
| 208 | D | 69.4 | Low | 79.6 | Confident | 20 Ų | 20 | 32.4 Ų | 32.4 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -100.8 | -3.6 | -176 | 92.5 | -7.3 | 0 | 0 | 0 | 113.1 | R162 W205 R206 F210 E219 V400 | R162-D208 IonicContact CZ-OD1 2.87Å; R162-D208 IonicContact CZ-OD2 2.69Å; R162-D208 IonicContact NE-OD2 3.22Å; R162-D208 IonicContact NH2-OD1 3.89Å; R162-D208 PolarHBondContact NH2-OD1 3.47Å; R162-D208 IonicContact NH2-OD2 3.97Å; R162-D208 PolarHBondContact NH2-OD2 2.86Å; W205-D208 WeakPolarHBondContact CA-OD2 2.99Å; W205-D208 VanDerWaalsContact CD1-OD2 3.23Å; R206-D208 PolarHBondContact O-N 2.98Å; D208-F210 WeakPolarHBondContact OD1-CB 3.47Å; D208-F210 WeakPolarHBondContact OD1-CD2 3.16Å; D208-F210 PolarHBondContact OD1-N 3.38Å; D208-E219 PolarHBondContact N-OE1 3.32Å; D208-V400 WeakPolarHBondContact O-CG2 3.36Å |
| 209 | G | 64.8 | Low | 79.4 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 99.2 | 1.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E219 Q254 M380 Q398 | G209-E219 WeakPolarHBondContact CA-OE2 3.42Å; G209-E219 PolarHBondContact N-OE2 2.88Å; G209-Q254 PolarHBondContact O-NE2 2.71Å; G209-M380 WeakPolarHBondContact CA-SD 3.19Å; G209-Q398 VanDerWaalsContact C-NE2 3.26Å; G209-Q398 VanDerWaalsContact CA-NE2 3.31Å; G209-Q398 PolarHBondContact O-NE2 2.87Å |
| 210 | F | 71.4 | Confident | 78.6 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 9% | 0.092 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -123.9 | 150.2 | -177.8 | -61.8 | -105.6 | 0 | 0 | 0 | 110.4 | N47 R162 D208 D212 E219 Q254 V400 | N47-F210 WeakPolarHBondContact OD1-CD1 3.39Å; R162-F210 VanDerWaalsContact NH1-CE1 3.29Å; D208-F210 WeakPolarHBondContact OD1-CB 3.47Å; D208-F210 WeakPolarHBondContact OD1-CD2 3.16Å; D208-F210 PolarHBondContact OD1-N 3.38Å; F210-D212 PolarHBondContact O-N 2.81Å; F210-E219 WeakPolarHBondContact O-CG 3.43Å; F210-Q254 VanDerWaalsContact CE1-OE1 3.31Å; F210-Q254 VanDerWaalsContact CG-NE2 3.32Å; F210-Q254 VanDerWaalsContact CZ-NE2 3.33Å; F210-V400 HydrophobicContact CE2-CG2 3.77Å |
| 211 | S | 78.7 | Confident | 77.6 | Confident | 39 Ų | 39 | 36 Ų | 36 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | trans | -91 | 96 | 178.9 | -170.4 | 0 | 0 | 0 | 0 | 109.1 | V83 C213 S216 | V83-S211 WeakPolarHBondContact CG1-O 3.24Å; S211-C213 PolarHBondContact OG-O 3.21Å; S211-S216 WeakPolarHBondContact CB-OG 3.49Å; S211-S216 VanDerWaalsContact OG-CA 3.3Å; S211-S216 WeakPolarHBondContact OG-CA 3.2Å; S211-S216 WeakPolarHBondContact OG-CB 3.26Å; S211-S216 PolarHBondContact OG-N 3.31Å; S211-S216 PolarHBondContact OG-OG 2.9Å | ||
| 212 | D | 84 | Confident | 76.6 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -96 | -17.6 | 176 | -72.6 | -55.3 | 0 | 0 | 0 | 112.2 | V83 R162 I201 W205 F210 D218 | V83-D212 WeakPolarHBondContact CG2-OD1 3.35Å; R162-D212 WeakPolarHBondContact CB-OD1 3.19Å; R162-D212 WeakPolarHBondContact CD-OD1 2.89Å; R162-D212 VanDerWaalsContact CD-OD2 3.27Å; R162-D212 WeakPolarHBondContact CD-OD2 3.13Å; R162-D212 WeakPolarHBondContact CG-OD1 3.31Å; R162-D212 WeakPolarHBondContact CG-OD2 3.26Å; R162-D212 IonicContact NE-OD1 3.94Å; R162-D212 IonicContact NE-OD2 2.73Å; R162-D212 PolarHBondContact NE-OD2 2.95Å; R162-D212 VanDerWaalsContact NE-OD2 3.13Å; I201-D212 HydrophobicContact CB-CB 4.36Å; I201-D212 HydrophobicContact CD1-CB 4.25Å; I201-D212 HydrophobicContact CG2-CB 3.83Å; I201-D212 WeakPolarHBondContact CG2-O 2.91Å; W205-D212 HydrophobicContact CB-CB 4.46Å; W205-D212 WeakPolarHBondContact CB-OD2 3.06Å; F210-D212 PolarHBondContact O-N 2.81Å; D212-D218 VanDerWaalsContact CA-OD2 3.27Å; D212-D218 WeakPolarHBondContact CA-OD2 3.48Å; D212-D218 WeakPolarHBondContact CB-OD2 3.44Å; D212-D218 PolarHBondContact N-OD2 3.41Å | ||
| 213 | C | 83.2 | Confident | 75.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -89.5 | 145.7 | 159.9 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | C195 S211 G215 S216 E217 D218 | C195-C213 HydrophobicContact CB-CB 3.81Å; C195-C213 WeakPolarHBondContact CB-SG 3.47Å; C195-C213 WeakPolarHBondContact SG-CA 3.46Å; C195-C213 WeakPolarHBondContact SG-CB 3.34Å; C195-C213 CovalentContact SG-SG 2.04Å; C195-C213 PolarHBondContact SG-SG 2.83Å; S211-C213 PolarHBondContact OG-O 3.21Å; C213-G215 PolarHBondContact O-N 3.36Å; C213-G215 VanDerWaalsContact O-N 3.1Å; C213-S216 PolarHBondContact O-N 3.18Å; C213-E217 WeakPolarHBondContact CB-OE2 3.45Å; C213-D218 HydrophobicContact CB-CB 4.43Å; C213-D218 PolarHBondContact N-OD2 3.24Å |
| 214 | S | 78.2 | Confident | 73.2 | Confident | 84 Ų | 84 | 39.6 Ų | 39.6 | 59% | 0.587 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.5 | 179.7 | 54.1 | 0 | 0 | 0 | 0 | 115.8 | T197 | T197-S214 WeakPolarHBondContact CG2-OG 3.42Å; T197-S214 PolarHBondContact OG1-OG 3.48Å; T197-S214 VanDerWaalsContact OG1-OG 3.05Å |
| 215 | G | 76.3 | Confident | 70.8 | Confident | 42 Ų | 42 | 41.2 Ų | 41.2 | 43% | 0.433 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 15.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | C213 E217 | C213-G215 PolarHBondContact O-N 3.36Å; C213-G215 VanDerWaalsContact O-N 3.1Å; G215-E217 VanDerWaalsContact CA-CD 3.46Å; G215-E217 WeakPolarHBondContact CA-OE2 3.34Å; G215-E217 PolarHBondContact N-OE2 3.2Å; G215-E217 VanDerWaalsContact N-OE2 3.1Å; G215-E217 PolarHBondContact O-N 3.17Å |
| 216 | S | 77.9 | Confident | 68.4 | Low | 33 Ų | 33 | 46.7 Ų | 46.7 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 57.5 | 26.4 | -176 | -44.3 | 0 | 0 | 0 | 0 | 114.9 | S211 C213 D218 E219 | S211-S216 WeakPolarHBondContact CB-OG 3.49Å; S211-S216 VanDerWaalsContact OG-CA 3.3Å; S211-S216 WeakPolarHBondContact OG-CA 3.2Å; S211-S216 WeakPolarHBondContact OG-CB 3.26Å; S211-S216 PolarHBondContact OG-N 3.31Å; S211-S216 PolarHBondContact OG-OG 2.9Å; C213-S216 PolarHBondContact O-N 3.18Å; S216-D218 VanDerWaalsContact C-N 3.27Å; S216-D218 VanDerWaalsContact CA-OD1 3.27Å; S216-D218 WeakPolarHBondContact CA-OD1 3.31Å; S216-D218 PolarHBondContact O-N 3.37Å; S216-E219 PolarHBondContact O-N 2.91Å |
| 217 | E | 82.8 | Confident | 65.8 | Low | 50 Ų | 50 | 47.9 Ų | 47.9 | 23% | 0.234 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -9.4 | -176.2 | -51.5 | 99 | 143.5 | 0 | 0 | 114.4 | P196 C213 G215 I220 | P196-E217 HydrophobicContact CG-CB 3.76Å; P196-E217 HydrophobicContact CG-CG 3.85Å; C213-E217 WeakPolarHBondContact CB-OE2 3.45Å; G215-E217 VanDerWaalsContact CA-CD 3.46Å; G215-E217 WeakPolarHBondContact CA-OE2 3.34Å; G215-E217 PolarHBondContact N-OE2 3.2Å; G215-E217 VanDerWaalsContact N-OE2 3.1Å; G215-E217 PolarHBondContact O-N 3.17Å; E217-I220 HydrophobicContact CB-CD1 4.26Å; E217-I220 HydrophobicContact CB-CG1 4.5Å; E217-I220 VanDerWaalsContact O-CG1 3.28Å; E217-I220 WeakPolarHBondContact O-CG1 3.49Å |
| 218 | D | 81.3 | Confident | 63.6 | Low | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -38.4 | 164.9 | 43.3 | -13.6 | 0 | 0 | 0 | 112.5 | W193 I201 R206 C207 D212 C213 S216 I220 | W193-D218 HydrophobicContact CZ3-CB 4.05Å; I201-D218 HydrophobicContact CD1-CB 3.59Å; R206-D218 PolarHBondContact NH2-O 3.45Å; C207-D218 PolarHBondContact SG-O 3.28Å; D212-D218 VanDerWaalsContact CA-OD2 3.27Å; D212-D218 WeakPolarHBondContact CA-OD2 3.48Å; D212-D218 WeakPolarHBondContact CB-OD2 3.44Å; D212-D218 PolarHBondContact N-OD2 3.41Å; C213-D218 HydrophobicContact CB-CB 4.43Å; C213-D218 PolarHBondContact N-OD2 3.24Å; S216-D218 VanDerWaalsContact C-N 3.27Å; S216-D218 VanDerWaalsContact CA-OD1 3.27Å; S216-D218 WeakPolarHBondContact CA-OD1 3.31Å; S216-D218 PolarHBondContact O-N 3.37Å; D218-I220 PolarHBondContact O-N 3.01Å |
| 219 | E | 77.3 | Confident | 61.6 | Low | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.009 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -87 | 6.6 | -175 | -66.2 | -59.2 | 102.2 | 0 | 0 | 115.1 | C207 D208 G209 F210 S216 C222 P257 | C207-E219 WeakPolarHBondContact CA-OE1 3.3Å; C207-E219 PolarHBondContact N-OE1 3.31Å; D208-E219 PolarHBondContact N-OE1 3.32Å; G209-E219 WeakPolarHBondContact CA-OE2 3.42Å; G209-E219 PolarHBondContact N-OE2 2.88Å; F210-E219 WeakPolarHBondContact O-CG 3.43Å; S216-E219 PolarHBondContact O-N 2.91Å; E219-C222 PolarHBondContact O-SG 3.36Å; E219-P257 HydrophobicContact CB-CB 4.45Å; E219-P257 HydrophobicContact CB-CG 4.02Å; E219-P257 HydrophobicContact CG-CG 4.2Å |
| 220 | I | 70.3 | Confident | 59.6 | Low | 64 Ų | 64 | 65 Ų | 65 | 33% | 0.328 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -106.8 | 149.6 | 176.3 | 63.1 | 173.4 | 0 | 0 | 0 | 112.5 | R206 E217 D218 C222 | R206-I220 PolarHBondContact NH2-O 2.87Å; E217-I220 HydrophobicContact CB-CD1 4.26Å; E217-I220 HydrophobicContact CB-CG1 4.5Å; E217-I220 VanDerWaalsContact O-CG1 3.28Å; E217-I220 WeakPolarHBondContact O-CG1 3.49Å; D218-I220 PolarHBondContact O-N 3.01Å; I220-C222 PolarHBondContact O-N 3.26Å |
| 221 | N | 66.5 | Low | 57.4 | Low | 121 Ų | 121 | 74 Ų | 74 | 65% | 0.647 | 42% | 0.416 | S | S | * | . | trans | 62.5 | 34.1 | 177.2 | -52 | -61.4 | 0 | 0 | 0 | 115.3 | L223 | N221-L223 PolarHBondContact O-N 2.84Š| ||
| 222 | C | 66.6 | Low | 54.8 | Low | 27 Ų | 27 | 77.4 Ų | 77.4 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 9.3 | -176.2 | -60.5 | 0 | 0 | 0 | 0 | 117.7 | C207 E219 I220 | C207-C222 HydrophobicContact CB-CB 3.48Å; C207-C222 VanDerWaalsContact CB-CB 3.48Å; C207-C222 WeakPolarHBondContact CB-SG 3.49Å; C207-C222 WeakPolarHBondContact SG-CA 3.4Å; C207-C222 WeakPolarHBondContact SG-CB 3.32Å; C207-C222 CovalentContact SG-SG 2.02Å; C207-C222 PolarHBondContact SG-SG 3.35Å; E219-C222 PolarHBondContact O-SG 3.36Å; I220-C222 PolarHBondContact O-N 3.26Å |
| 223 | L | 55 | Low | 52 | Low | 69 Ų | 69 | 85.2 Ų | 85.2 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 8.9 | -169.5 | -55.7 | -177.3 | 0 | 0 | 0 | 113.6 | N221 L360 P362 | N221-L223 PolarHBondContact O-N 2.84Å; L223-L360 WeakPolarHBondContact CD1-O 3.38Å; L223-P362 HydrophobicContact CD2-CB 4.04Å; L223-P362 HydrophobicContact CD2-CG 3.54Å |
| 224 | S | 41.8 | Very low | 49.3 | Very low | 82 Ų | 82 | 89.3 Ų | 89.3 | 57% | 0.573 | 50% | 0.496 | S | S | * | . | trans | -74.6 | 121.3 | 175.2 | 54.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 225 | P | 29.5 | Very low | 46.7 | Very low | 106 Ų | 106 | 94.5 Ų | 94.5 | 69% | 0.688 | 50% | 0.503 | S | S | * | . | trans | -73.2 | 131.6 | -171.7 | 28.7 | -34.9 | 0 | 0 | 0 | 112.6 | ||||
| 226 | L | 30.8 | Very low | 44.2 | Very low | 115 Ų | 115 | 97.8 Ų | 97.8 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | trans | -110.7 | 167.3 | 166.9 | -80.1 | 165 | 0 | 0 | 0 | 110.7 | G447 | L226-G447 CarbonylContact C-O 3.57Å; L226-G447 WeakPolarHBondContact CA-O 3.44Å; L226-G447 WeakPolarHBondContact CB-O 3.16Å; L226-G447 CarbonylContact O-C 3.55Å | ||
| 227 | S | 26.8 | Very low | 41.6 | Very low | 100 Ų | 100 | 101.9 Ų | 101.9 | 70% | 0.699 | 52% | 0.521 | S | S | * | . | trans | -93.9 | 129.2 | -152.8 | 53 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 228 | K | 23.6 | Very low | 38.8 | Very low | 183 Ų | 183 | 107.5 Ų | 107.5 | 80% | 0.796 | 54% | 0.539 | S | S | * | . | trans | 9.8 | 128.9 | 151.4 | -62 | 176 | 179.3 | 174.8 | 0 | 118.5 | G446 | K228-G446 VanDerWaalsContact CA-O 3.31Å; K228-G446 WeakPolarHBondContact CA-O 3.34Å; K228-G446 PolarHBondContact N-O 2.72Å | ||
| 229 | I | 26.6 | Very low | 36.2 | Very low | 150 Ų | 150 | 110.9 Ų | 110.9 | 77% | 0.769 | 56% | 0.563 | S | S | * | * | trans | -164.9 | 172 | 138.8 | -96.7 | 145.8 | 0 | 0 | 0 | 109.2 | ||||
| 230 | S | 23.7 | Very low | 33.7 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 54% | 0.538 | 59% | 0.588 | S | S | . | * | trans | -140 | 152 | -140.4 | 63.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 231 | R | 24 | Very low | 31.7 | Very low | 208 Ų | 208 | 117.8 Ų | 117.8 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | trans | 71.9 | 154.7 | 153.2 | -64.8 | 166.3 | -175.8 | 175.6 | 2.1 | 115.9 | ||||
| 232 | L | 24.8 | Very low | 29.6 | Very low | 112 Ų | 112 | 118.5 Ų | 118.5 | 59% | 0.586 | 60% | 0.599 | S | S | * | * | cis | -167 | 143.1 | 9.5 | -146.3 | 70 | 0 | 0 | 0 | 113 | ||||
| 233 | H | 25.4 | Very low | 27.6 | Very low | 163 Ų | 163 | 122.6 Ų | 122.6 | 76% | 0.755 | 62% | 0.619 | S | S | * | * | trans | 61 | 158.5 | 149.5 | -64.7 | -13.8 | 0 | 0 | 0 | 122.9 | ||||
| 234 | S | 25.4 | Very low | 26.1 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 61% | 0.608 | 64% | 0.637 | S | S | * | * | cis | 174 | 135.4 | -25.7 | 156.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 235 | R | 24.7 | Very low | 25.2 | Very low | 194 Ų | 194 | 130 Ų | 130 | 73% | 0.732 | 64% | 0.643 | S | S | * | * | trans | 74.8 | 151.7 | 150.1 | -78.6 | 174.3 | 159.8 | 169.1 | -3.8 | 120.7 | D407 | R235-D407 WeakPolarHBondContact CA-OD2 2.92Å; R235-D407 PolarHBondContact N-OD2 3.16Å | ||
| 236 | Q | 24.5 | Very low | 25.1 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 51% | 0.514 | 63% | 0.634 | S | S | . | * | cis | -158.4 | 143 | -11.3 | -129.6 | 179.4 | 38.7 | 0 | 0 | 116.1 | D407 | Q236-D407 WeakPolarHBondContact CA-OD1 2.87Å; Q236-D407 PolarHBondContact N-OD2 3.42Å | ||
| 237 | K | 22.8 | Very low | 25 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 52% | 0.522 | 64% | 0.635 | S | S | . | * | trans | 83.2 | 130 | 137.5 | -93.6 | 170.8 | -176.8 | 158.3 | 0 | 126.6 | D407 | K237-D407 PolarHBondContact N-OD1 2.97Š| ||
| 238 | R | 24.6 | Very low | 25 | Very low | 167 Ų | 167 | 127.5 Ų | 127.5 | 63% | 0.63 | 61% | 0.606 | S | S | * | * | trans | 74.8 | 150.2 | 139.8 | -89.6 | -178.7 | 171.7 | 170 | -4.3 | 118.3 | S411 Q414 | R238-S411 WeakPolarHBondContact O-CA 3.08Å; R238-S411 WeakPolarHBondContact O-CB 2.96Å; R238-Q414 HydrophobicContact CG-CG 4.49Å | ||
| 239 | S | 26 | Very low | 26.1 | Very low | 71 Ų | 71 | 118.8 Ų | 118.8 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | cis | -166.3 | 120.4 | 9.7 | 151.8 | 0 | 0 | 0 | 0 | 118.2 | S411 Q414 | S239-S411 PolarHBondContact N-O 3.3Å; S239-Q414 PolarHBondContact OG-NE2 2.79Å | ||
| 240 | V | 25 | Very low | 27.4 | Very low | 87 Ų | 87 | 111.7 Ų | 111.7 | 53% | 0.527 | 53% | 0.531 | S | S | . | . | trans | 70.8 | 131.1 | 148.1 | 137.7 | 0 | 0 | 0 | 0 | 121.1 | Q414 | V240-Q414 HydrophobicContact CB-CG 4.2Å; V240-Q414 HydrophobicContact CG2-CB 3.87Å; V240-Q414 VanDerWaalsContact CG2-CD 3.48Å; V240-Q414 HydrophobicContact CG2-CG 3.84Å; V240-Q414 VanDerWaalsContact CG2-NE2 3.28Å | ||
| 241 | Y | 26.8 | Very low | 28.6 | Very low | 125 Ų | 125 | 108.6 Ų | 108.6 | 49% | 0.49 | 51% | 0.51 | S | S | . | . | trans | -133 | 161.5 | 164.4 | -89.2 | -87.9 | 0 | 0 | 0 | 108.4 | ||||
| 242 | D | 24.4 | Very low | 29.9 | Very low | 135 Ų | 135 | 103.1 Ų | 103.1 | 72% | 0.722 | 50% | 0.496 | S | S | * | . | trans | -136.4 | 151.7 | 172.7 | -119.9 | 4.8 | 0 | 0 | 0 | 110.9 | ||||
| 243 | N | 23.1 | Very low | 31.5 | Very low | 114 Ų | 114 | 98 Ų | 98 | 61% | 0.61 | 47% | 0.469 | S | S | * | . | trans | 73.9 | 109.3 | 153.3 | -55.2 | -14.6 | 0 | 0 | 0 | 122.4 | ||||
| 244 | E | 23.2 | Very low | 33.4 | Very low | 158 Ų | 158 | 91.8 Ų | 91.8 | 74% | 0.738 | 44% | 0.441 | S | S | * | . | 86.7 | 109.1 | 118.1 | -70.6 | 171.4 | 172.7 | 0 | 0 | 122.1 | |||||
| 245 | E | 24.2 | Very low | 35.5 | Very low | 148 Ų | 148 | 90.4 Ų | 90.4 | 69% | 0.692 | 43% | 0.43 | S | S | * | . | 94.2 | 106.9 | 129.2 | -67.1 | -173.4 | 172.5 | 0 | 0 | 123.3 | |||||
| 246 | N | 26.1 | Very low | 37.9 | Very low | 92 Ų | 92 | 81.3 Ų | 81.3 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | trans | 79.6 | 142.8 | 158.7 | -38.3 | -90.8 | 0 | 0 | 0 | 121.8 | ||||
| 247 | W | 28.4 | Very low | 40.1 | Very low | 169 Ų | 169 | 77 Ų | 77 | 64% | 0.64 | 38% | 0.378 | S | S | * | . | cis | 176.4 | 136.1 | -28.1 | -78 | 141.7 | 0 | 0 | 0 | 112 | H388 Q434 | W247-H388 PolarHBondContact O-CE1 3.47Å; W247-H388 PolarHBondContact O-NE2 3.22Å; W247-H388 VanDerWaalsContact O-NE2 3.17Å; W247-Q434 VanDerWaalsContact CE3-CD 3.42Å; W247-Q434 HydrophobicContact CE3-CG 3.93Å; W247-Q434 HydrophobicContact CZ3-CG 4.26Å | ||
| 248 | G | 26.7 | Very low | 42.7 | Very low | 8 Ų | 8 | 77.2 Ų | 77.2 | 8% | 0.082 | 38% | 0.379 | C | S | . | . | trans | 130.9 | 144.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | D386 H388 C433 | G248-D386 CarbonylContact C-O 3.56Å; G248-D386 WeakPolarHBondContact CA-O 3.43Å; G248-H388 PolarHBondContact O-CD2 3.16Å; G248-H388 PolarHBondContact O-NE2 3.03Å; G248-C433 PolarHBondContact N-SG 3.15Å; G248-C433 VanDerWaalsContact N-SG 3.4Å; G248-C433 WeakPolarHBondContact O-CB 3.32Å; G248-C433 PolarHBondContact O-SG 2.98Å | ||
| 249 | R | 47.5 | Very low | 45.1 | Very low | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 41.7 | 157.4 | 167 | -123.1 | -50.5 | 140.2 | 49.2 | 28 | 123 | V251 W384 G385 D386 T387 S392 N393 C433 | R249-V251 VanDerWaalsContact C-N 3.28Å; R249-V251 VanDerWaalsContact O-CG2 3.23Å; R249-V251 WeakPolarHBondContact O-CG2 3.38Å; R249-V251 PolarHBondContact O-N 3.29Å; R249-W384 PolarHBondContact NH2-O 3.14Å; R249-G385 VanDerWaalsContact CA-O 3.29Å; R249-G385 WeakPolarHBondContact CA-O 3.1Å; R249-G385 WeakPolarHBondContact CD-O 3.5Å; R249-G385 WeakPolarHBondContact CG-O 3.15Å; R249-G385 VanDerWaalsContact CZ-O 3.26Å; R249-G385 PolarHBondContact NE-O 3.05Å; R249-G385 PolarHBondContact NH2-O 2.67Å; R249-D386 WeakPolarHBondContact CA-O 3.03Å; R249-D386 VanDerWaalsContact CB-O 3.32Å; R249-D386 WeakPolarHBondContact CB-O 2.99Å; R249-D386 HydrophobicContact CG-CB 4.45Å; R249-D386 PolarHBondContact N-O 3.35Å; R249-T387 WeakPolarHBondContact CB-O 3.34Å; R249-T387 VanDerWaalsContact CG-CA 3.44Å; R249-T387 HydrophobicContact CG-CG2 3.78Å; R249-S392 PolarHBondContact NH1-O 2.91Å; R249-N393 PolarHBondContact NH1-OD1 3.05Å; R249-C433 WeakPolarHBondContact O-CB 3.42Å |
| 250 | V | 53.8 | Low | 47.5 | Very low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -43.6 | 90.1 | 132.8 | -160.1 | 0 | 0 | 0 | 0 | 113.1 | V381 A399 D431 D436 | V250-V381 HydrophobicContact CG1-CG1 4.37Å; V250-A399 HydrophobicContact CG1-CB 3.57Å; V250-D431 WeakPolarHBondContact CA-O 3.12Å; V250-D431 VanDerWaalsContact CG1-O 3.27Å; V250-D431 WeakPolarHBondContact CG1-O 3.42Å; V250-D436 HydrophobicContact CG2-CB 4.34Å; V250-D436 VanDerWaalsContact CG2-CG 3.41Å; V250-D436 WeakPolarHBondContact CG2-OD2 3.22Å; V250-D436 PolarHBondContact N-OD2 3.28Å |
| 251 | V | 48.6 | Very low | 50.5 | Low | 13 Ų | 13 | 64.4 Ų | 64.4 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 132.6 | 179.3 | -168.4 | 0 | 0 | 0 | 0 | 108.8 | R249 G253 T390 I430 D431 C461 A462 | R249-V251 VanDerWaalsContact C-N 3.28Å; R249-V251 VanDerWaalsContact O-CG2 3.23Å; R249-V251 WeakPolarHBondContact O-CG2 3.38Å; R249-V251 PolarHBondContact O-N 3.29Å; V251-G253 PolarHBondContact O-N 2.85Å; V251-T390 HydrophobicContact CG1-CG2 4.1Å; V251-I430 WeakPolarHBondContact O-CA 3.32Å; V251-I430 WeakPolarHBondContact O-CG2 2.93Å; V251-D431 PolarHBondContact N-O 3.33Å; V251-C461 HydrophobicContact CG2-CB 4.31Å; V251-A462 HydrophobicContact CB-CB 3.58Å; V251-A462 HydrophobicContact CG1-CB 3.87Å; V251-A462 HydrophobicContact CG2-CB 3.62Å |
| 252 | N | 51.6 | Low | 53.5 | Low | 93 Ų | 93 | 58.8 Ų | 58.8 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 17.7 | -179.3 | -66.4 | -41.6 | 0 | 0 | 0 | 116.2 | T390 G429 I430 | N252-T390 PolarHBondContact N-OG1 2.94Å; N252-T390 VanDerWaalsContact N-OG1 3.12Å; N252-T390 WeakPolarHBondContact OD1-CB 3.31Å; N252-T390 WeakPolarHBondContact OD1-CG2 3.47Å; N252-G429 WeakPolarHBondContact CB-O 2.94Å; N252-G429 PolarHBondContact ND2-O 3.2Å; N252-I430 HydrophobicContact CB-CG1 4.15Å |
| 253 | G | 59.5 | Low | 56.8 | Low | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 153.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V251 R397 Q398 | V251-G253 PolarHBondContact O-N 2.85Å; G253-R397 PolarHBondContact O-NE 2.7Å; G253-R397 PolarHBondContact O-NH2 3.01Å; G253-Q398 CarbonylContact C-O 3.49Å; G253-Q398 VanDerWaalsContact CA-O 3.28Å; G253-Q398 WeakPolarHBondContact CA-O 3.35Å |
| 254 | Q | 65.5 | Low | 60.2 | Low | 33 Ų | 33 | 47.4 Ų | 47.4 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 161.6 | 179.3 | 70.5 | -161.2 | -32.5 | 0 | 0 | 112.4 | G209 F210 A256 R397 Q398 | G209-Q254 PolarHBondContact O-NE2 2.71Å; F210-Q254 VanDerWaalsContact CE1-OE1 3.31Å; F210-Q254 VanDerWaalsContact CG-NE2 3.32Å; F210-Q254 VanDerWaalsContact CZ-NE2 3.33Å; Q254-A256 PolarHBondContact O-N 2.84Å; Q254-R397 CarbonylContact O-C 3.11Å; Q254-R397 WeakPolarHBondContact O-CA 3.48Å; Q254-R397 VanDerWaalsContact O-CB 3.31Å; Q254-R397 WeakPolarHBondContact O-CB 3.29Å; Q254-Q398 HydrophobicContact CG-CG 4.17Å; Q254-Q398 PolarHBondContact N-O 3.16Å; Q254-Q398 PolarHBondContact O-N 3.12Å |
| 255 | P | 69.2 | Low | 63.7 | Low | 59 Ų | 59 | 39.9 Ų | 39.9 | 38% | 0.383 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 133.5 | 170.4 | -20 | 33.4 | 0 | 0 | 0 | 111 | V395 | P255-V395 HydrophobicContact CB-CG2 4.26Å |
| 256 | A | 73.9 | Confident | 67.1 | Low | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 144.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q254 Y310 L396 Q398 | Q254-A256 PolarHBondContact O-N 2.84Å; A256-Y310 VanDerWaalsContact O-CE2 3.22Å; A256-Y310 WeakPolarHBondContact O-CE2 3.43Å; A256-Y310 PolarHBondContact O-OH 2.93Å; A256-L396 HydrophobicContact CB-CB 4.26Å; A256-L396 HydrophobicContact CB-CD2 3.84Å; A256-L396 HydrophobicContact CB-CG 3.88Å; A256-L396 PolarHBondContact N-O 3.21Å; A256-Q398 HydrophobicContact CB-CB 4.31Å; A256-Q398 HydrophobicContact CB-CG 4.13Å |
| 257 | P | 72.1 | Confident | 70.3 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 13% | 0.13 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -60 | 143.7 | 166.8 | -23.5 | 34 | 0 | 0 | 0 | 111.6 | E219 G259 A260 | E219-P257 HydrophobicContact CB-CB 4.45Å; E219-P257 HydrophobicContact CB-CG 4.02Å; E219-P257 HydrophobicContact CG-CG 4.2Å; P257-G259 PolarHBondContact O-N 3.22Å; P257-G259 VanDerWaalsContact O-N 3.11Å; P257-A260 HydrophobicContact CB-CB 4.22Å; P257-A260 HydrophobicContact CG-CB 4.49Å; P257-A260 WeakPolarHBondContact O-CB 3.22Å; P257-A260 PolarHBondContact O-N 2.88Å; P257-A260 VanDerWaalsContact O-N 3.15Å |
| 258 | K | 77 | Confident | 73.4 | Confident | 124 Ų | 124 | 21.1 Ų | 21.1 | 54% | 0.539 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 116.7 | 178.9 | -78.2 | -174.7 | 175.4 | -179.6 | 0 | 110.4 | Y310 Y311 | K258-Y310 HydrophobicContact CB-CD2 4.46Å; K258-Y310 HydrophobicContact CB-CE2 4.5Å; K258-Y310 HydrophobicContact CD-CD1 4.3Å; K258-Y310 HydrophobicContact CD-CE1 4.41Å; K258-Y310 HydrophobicContact CD-CG 4.46Å; K258-Y310 VanDerWaalsContact CE-CD1 3.43Å; K258-Y310 HydrophobicContact CG-CD1 3.96Å; K258-Y310 HydrophobicContact CG-CD2 3.7Å; K258-Y310 HydrophobicContact CG-CE1 3.93Å; K258-Y310 HydrophobicContact CG-CE2 3.69Å; K258-Y310 HydrophobicContact CG-CG 3.83Å; K258-Y311 PolarHBondContact NZ-OH 3.24Å |
| 259 | G | 75.1 | Confident | 76.2 | Confident | 27 Ų | 27 | 23.1 Ų | 23.1 | 28% | 0.278 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -6.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P257 W261 A262 | P257-G259 PolarHBondContact O-N 3.22Å; P257-G259 VanDerWaalsContact O-N 3.11Å; G259-W261 PolarHBondContact O-N 2.69Å; G259-A262 WeakPolarHBondContact O-CB 3.22Å; G259-A262 PolarHBondContact O-N 2.75Å |
| 260 | A | 76.3 | Confident | 77.7 | Confident | 19 Ų | 19 | 25.1 Ų | 25.1 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | P257 | P257-A260 HydrophobicContact CB-CB 4.22Å; P257-A260 HydrophobicContact CG-CB 4.49Å; P257-A260 WeakPolarHBondContact O-CB 3.22Å; P257-A260 PolarHBondContact O-N 2.88Å; P257-A260 VanDerWaalsContact O-N 3.15Å |
| 261 | W | 87.5 | Confident | 78.4 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 4% | 0.038 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 45.1 | 179 | -62.7 | 82.4 | 0 | 0 | 0 | 112.7 | G259 F263 I264 M380 A382 L396 Q398 P440 L442 | G259-W261 PolarHBondContact O-N 2.69Å; W261-F263 HydrophobicContact CD2-CZ 4.2Å; W261-F263 HydrophobicContact CE3-CE1 4.43Å; W261-F263 AromaticContact CE3-CE2 3.62Å; W261-F263 HydrophobicContact CE3-CE2 3.62Å; W261-F263 AromaticContact CE3-CZ 3.39Å; W261-F263 HydrophobicContact CE3-CZ 3.39Å; W261-F263 AromaticContact CZ3-CE2 4Å; W261-F263 HydrophobicContact CZ3-CE2 4Å; W261-F263 AromaticContact CZ3-CZ 3.81Å; W261-F263 HydrophobicContact CZ3-CZ 3.81Å; W261-F263 PolarHBondContact O-N 3.01Å; W261-I264 HydrophobicContact CB-CB 4.1Å; W261-I264 HydrophobicContact CB-CG2 3.73Å; W261-I264 WeakPolarHBondContact O-CG2 3.05Å; W261-I264 PolarHBondContact O-N 2.9Å; W261-M380 HydrophobicContact CH2-CB 4.15Å; W261-M380 HydrophobicContact CH2-CG 4.29Å; W261-M380 WeakPolarHBondContact CH2-O 3.4Å; W261-M380 HydrophobicContact CZ2-CB 3.99Å; W261-M380 HydrophobicContact CZ2-CE 3.73Å; W261-M380 HydrophobicContact CZ2-CG 3.68Å; W261-M380 HydrophobicContact CZ2-SD 3.63Å; W261-A382 HydrophobicContact CD2-CB 3.4Å; W261-A382 HydrophobicContact CE3-CB 3.74Å; W261-A382 HydrophobicContact CG-CB 3.86Å; W261-A382 HydrophobicContact CH2-CB 4.01Å; W261-A382 HydrophobicContact CZ2-CB 3.68Å; W261-A382 HydrophobicContact CZ3-CB 4.01Å; W261-L396 HydrophobicContact CB-CD2 3.73Å; W261-L396 HydrophobicContact CG-CD2 4.01Å; W261-Q398 VanDerWaalsContact CD1-OE1 3.3Å; W261-Q398 HydrophobicContact CZ2-CB 4.4Å; W261-P440 HydrophobicContact CE3-CG 3.73Å; W261-P440 HydrophobicContact CZ3-CB 4.02Å; W261-P440 HydrophobicContact CZ3-CG 3.62Å; W261-L442 HydrophobicContact CH2-CB 4.17Å; W261-L442 HydrophobicContact CH2-CD1 4.42Å; W261-L442 HydrophobicContact CH2-CD2 4.27Å; W261-L442 HydrophobicContact CZ3-CB 4.45Å; W261-L442 HydrophobicContact CZ3-CD1 3.87Å; W261-L442 HydrophobicContact CZ3-CD2 4.15Å; W261-L442 HydrophobicContact CZ3-CG 4.38Å |
| 262 | A | 89.2 | Confident | 79.1 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -11.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | G259 Q357 V358 R359 | G259-A262 WeakPolarHBondContact O-CB 3.22Å; G259-A262 PolarHBondContact O-N 2.75Å; A262-Q357 WeakPolarHBondContact CA-O 3.27Å; A262-Q357 WeakPolarHBondContact CB-O 3.15Å; A262-V358 CarbonylContact O-C 3.5Å; A262-V358 VanDerWaalsContact O-CA 3.27Å; A262-V358 WeakPolarHBondContact O-CA 3.45Å; A262-R359 HydrophobicContact CB-CB 3.7Å; A262-R359 HydrophobicContact CB-CG 3.54Å; A262-R359 PolarHBondContact O-N 3.24Å |
| 263 | F | 94.9 | Very high | 79.5 | Confident | 5 Ų | 5 | 32.8 Ų | 32.8 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -9.4 | 173.8 | 55.1 | -91 | 0 | 0 | 0 | 114.7 | W261 S280 L281 R359 P440 L442 | W261-F263 HydrophobicContact CD2-CZ 4.2Å; W261-F263 HydrophobicContact CE3-CE1 4.43Å; W261-F263 AromaticContact CE3-CE2 3.62Å; W261-F263 HydrophobicContact CE3-CE2 3.62Å; W261-F263 AromaticContact CE3-CZ 3.39Å; W261-F263 HydrophobicContact CE3-CZ 3.39Å; W261-F263 AromaticContact CZ3-CE2 4Å; W261-F263 HydrophobicContact CZ3-CE2 4Å; W261-F263 AromaticContact CZ3-CZ 3.81Å; W261-F263 HydrophobicContact CZ3-CZ 3.81Å; W261-F263 PolarHBondContact O-N 3.01Å; F263-S280 CarbonylContact O-C 3.53Å; F263-S280 WeakPolarHBondContact O-CA 3.38Å; F263-L281 PolarHBondContact O-N 2.82Å; F263-R359 VanDerWaalsContact CA-O 3.24Å; F263-R359 WeakPolarHBondContact CA-O 3.34Å; F263-R359 VanDerWaalsContact CB-O 3.29Å; F263-R359 WeakPolarHBondContact CB-O 3.38Å; F263-P440 HydrophobicContact CD2-CG 4.37Å; F263-P440 HydrophobicContact CE2-CB 3.88Å; F263-P440 HydrophobicContact CE2-CG 3.74Å; F263-L442 HydrophobicContact CE1-CD2 4.17Å; F263-L442 HydrophobicContact CE2-CD1 3.74Å; F263-L442 HydrophobicContact CE2-CD2 4.46Å; F263-L442 HydrophobicContact CZ-CD1 3.67Å; F263-L442 HydrophobicContact CZ-CD2 3.55Å; F263-L442 HydrophobicContact CZ-CG 4.28Å |
| 264 | I | 94.8 | Very high | 80.5 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 140.5 | 178.2 | -158.4 | 175.6 | 0 | 0 | 0 | 110.5 | W261 A278 G279 A382 W384 L396 P440 | W261-I264 HydrophobicContact CB-CB 4.1Å; W261-I264 HydrophobicContact CB-CG2 3.73Å; W261-I264 WeakPolarHBondContact O-CG2 3.05Å; W261-I264 PolarHBondContact O-N 2.9Å; I264-A278 HydrophobicContact CD1-CB 4.37Å; I264-A278 HydrophobicContact CG1-CB 4.47Å; I264-G279 WeakPolarHBondContact CA-O 3.06Å; I264-G279 WeakPolarHBondContact CG1-O 3.44Å; I264-A382 HydrophobicContact CD1-CB 4.23Å; I264-A382 WeakPolarHBondContact CD1-O 3.43Å; I264-W384 HydrophobicContact CD1-CH2 4.46Å; I264-W384 HydrophobicContact CD1-CZ3 4.13Å; I264-W384 HydrophobicContact CG1-CH2 4.27Å; I264-W384 HydrophobicContact CG1-CZ3 4.09Å; I264-W384 HydrophobicContact CG2-CH2 3.72Å; I264-W384 HydrophobicContact CG2-CZ2 4.19Å; I264-W384 HydrophobicContact CG2-CZ3 4.37Å; I264-L396 HydrophobicContact CD1-CD1 3.9Å; I264-L396 HydrophobicContact CG2-CD1 4.22Å; I264-L396 HydrophobicContact CG2-CD2 4.08Å; I264-P440 HydrophobicContact CB-CG 4.48Å; I264-P440 HydrophobicContact CD1-CG 4.19Å; I264-P440 HydrophobicContact CG1-CG 4.09Å |
| 265 | V | 96.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147.6 | -177.7 | -37.8 | 0 | 0 | 0 | 0 | 110.9 | A278 G279 L281 V287 V305 D306 V307 | V265-A278 CarbonylContact O-C 3.57Å; V265-A278 WeakPolarHBondContact O-CA 3.32Å; V265-G279 PolarHBondContact N-O 2.76Å; V265-G279 PolarHBondContact O-N 2.98Å; V265-L281 HydrophobicContact CG1-CB 3.9Å; V265-V287 HydrophobicContact CG1-CG2 4.41Å; V265-V287 HydrophobicContact CG2-CG1 3.6Å; V265-V287 HydrophobicContact CG2-CG2 4.17Å; V265-V305 HydrophobicContact CB-CG1 3.71Å; V265-V305 HydrophobicContact CG1-CG1 4.28Å; V265-V305 HydrophobicContact CG2-CG1 3.67Å; V265-D306 WeakPolarHBondContact CA-O 3.43Å; V265-V307 HydrophobicContact CB-CG1 4.16Å; V265-V307 HydrophobicContact CG1-CG1 3.68Å |
| 266 | S | 94.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 115.6 | 176.1 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | H275 D306 | S266-H275 PolarHBondContact OG-ND1 2.8Å; S266-D306 PolarHBondContact N-O 2.98Å; S266-D306 PolarHBondContact O-N 2.82Å |
| 267 | L | 94.4 | Very high | 83.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.7 | 169.6 | -61.8 | 169.9 | 0 | 0 | 0 | 109.3 | V276 C277 A278 T289 I294 W303 V305 L345 | L267-V276 PolarHBondContact O-N 2.97Å; L267-C277 WeakPolarHBondContact CA-O 3.06Å; L267-C277 HydrophobicContact CB-CB 4.27Å; L267-C277 VanDerWaalsContact CB-O 3.27Å; L267-C277 WeakPolarHBondContact CB-O 3.49Å; L267-C277 HydrophobicContact CD1-CB 3.79Å; L267-C277 PolarHBondContact N-O 2.94Å; L267-A278 WeakPolarHBondContact CD1-O 3.38Å; L267-T289 HydrophobicContact CD1-CG2 3.93Å; L267-T289 VanDerWaalsContact CD1-OG1 3.22Å; L267-T289 WeakPolarHBondContact CD1-OG1 3.43Å; L267-I294 HydrophobicContact CD1-CD1 4.27Å; L267-W303 HydrophobicContact CB-CZ3 4.45Å; L267-V305 HydrophobicContact CD2-CG2 3.93Å; L267-L345 HydrophobicContact CD1-CD1 4.31Å; L267-L345 HydrophobicContact CD2-CD1 3.35Å; L267-L345 HydrophobicContact CG-CD1 4.49Å |
| 268 | R | 92.2 | Very high | 84.6 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 6% | 0.06 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 139.5 | -174.7 | -50.5 | -169.4 | 74.2 | 98.7 | -4.7 | 110.6 | G273 G274 F304 D306 R312 | R268-G273 PolarHBondContact NE-O 2.03Å; R268-G273 PolarHBondContact NH2-O 2.81Å; R268-G274 WeakPolarHBondContact CA-O 3.49Å; R268-G274 WeakPolarHBondContact CB-O 3.47Å; R268-F304 HydrophobicContact CB-CB 4.46Å; R268-F304 PolarHBondContact N-O 2.85Å; R268-F304 PolarHBondContact O-N 2.83Å; R268-D306 WeakPolarHBondContact CD-OD2 3.44Å; R268-D306 IonicContact NE-OD2 3.34Å; R268-R312 PolarHBondContact NH1-O 2.64Å; R268-R312 VanDerWaalsContact NH1-O 3.17Å |
| 269 | F | 85.9 | Confident | 85.5 | Confident | 49 Ų | 49 | 27 Ų | 27 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 164.2 | 179.1 | -159 | -109.5 | 0 | 0 | 0 | 111.7 | G273 V276 M297 R302 W303 | F269-G273 WeakPolarHBondContact O-CA 3.31Å; F269-V276 HydrophobicContact CB-CG2 4.1Å; F269-M297 HydrophobicContact CD2-CE 3.93Å; F269-M297 HydrophobicContact CE1-SD 4.36Å; F269-M297 HydrophobicContact CE2-CB 4.19Å; F269-M297 HydrophobicContact CE2-CE 3.39Å; F269-M297 HydrophobicContact CE2-CG 4.49Å; F269-M297 HydrophobicContact CE2-SD 3.49Å; F269-M297 WeakPolarHBondContact CE2-SD 3.48Å; F269-M297 HydrophobicContact CZ-CE 3.74Å; F269-M297 HydrophobicContact CZ-SD 3.36Å; F269-M297 WeakPolarHBondContact CZ-SD 3.41Å; F269-R302 CarbonylContact C-O 3.16Å; F269-R302 WeakPolarHBondContact CA-O 3.22Å; F269-R302 HydrophobicContact CD2-CB 4.37Å; F269-R302 HydrophobicContact CE2-CB 3.74Å; F269-R302 HydrophobicContact CZ-CB 4.02Å; F269-R302 HydrophobicContact CZ-CG 4.38Å; F269-W303 HydrophobicContact CD2-CD2 4.29Å; F269-W303 HydrophobicContact CD2-CE3 4.37Å; F269-W303 HydrophobicContact CD2-CH2 4.2Å; F269-W303 HydrophobicContact CD2-CZ2 4.09Å; F269-W303 HydrophobicContact CD2-CZ3 4.33Å; F269-W303 HydrophobicContact CE2-CZ2 4.36Å |
| 270 | S | 79.3 | Confident | 86.6 | Confident | 42 Ų | 42 | 25.7 Ų | 25.7 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -75 | 153.6 | 173.3 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | R302 | S270-R302 PolarHBondContact N-O 3.04Å; S270-R302 PolarHBondContact OG-O 2.82Å |
| 271 | G | 68.3 | Low | 87.7 | Confident | 75 Ų | 75 | 24.8 Ų | 24.8 | 77% | 0.773 | 17% | 0.165 | S | C | * | . | S | Bend | trans | 90.8 | -123.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G273 | G271-G273 PolarHBondContact O-N 2.85Å; G271-G273 VanDerWaalsContact O-N 3.11Å |
| 272 | N | 64.3 | Low | 88.2 | Confident | 176 Ų | 176 | 25.1 Ų | 25.1 | 94% | 0.941 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -65.1 | -15 | -178.5 | -57.2 | 14.6 | 0 | 0 | 0 | 113 | G274 | N272-G274 PolarHBondContact O-N 3.42Å; N272-G274 VanDerWaalsContact O-N 3.16Å |
| 273 | G | 60 | Low | 88.5 | Confident | 17 Ų | 17 | 26.3 Ų | 26.3 | 18% | 0.175 | 18% | 0.175 | C | C | . | . | trans | 58.3 | 38.7 | 153 | 0 | 0 | 0 | 0 | 0 | 117.5 | R268 F269 G271 | R268-G273 PolarHBondContact NE-O 2.03Å; R268-G273 PolarHBondContact NH2-O 2.81Å; F269-G273 WeakPolarHBondContact O-CA 3.31Å; G271-G273 PolarHBondContact O-N 2.85Å; G271-G273 VanDerWaalsContact O-N 3.11Å | ||
| 274 | G | 80.8 | Confident | 88.6 | Confident | 37 Ų | 37 | 27.6 Ų | 27.6 | 38% | 0.381 | 19% | 0.187 | S | C | . | . | trans | -62.7 | 164.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R268 N272 | R268-G274 WeakPolarHBondContact CA-O 3.49Å; R268-G274 WeakPolarHBondContact CB-O 3.47Å; N272-G274 PolarHBondContact O-N 3.42Å; N272-G274 VanDerWaalsContact O-N 3.16Å | ||
| 275 | H | 87.5 | Confident | 88.7 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 130.8 | 164.2 | 171.2 | 65.9 | 0 | 0 | 0 | 109 | S266 C277 R312 W384 G435 | S266-H275 PolarHBondContact OG-ND1 2.8Å; H275-C277 PolarHBondContact CE1-O 3.06Å; H275-C277 PolarHBondContact ND1-O 3.18Å; H275-R312 HydrophobicContact CB-CG 4.47Å; H275-W384 AromaticContact CE1-CE3 3.55Å; H275-W384 AromaticContact NE2-CE3 3.95Å; H275-G435 PolarHBondContact NE2-O 3.32Å; H275-G435 VanDerWaalsContact NE2-O 3.12Å |
| 276 | V | 89.3 | Confident | 88.8 | Confident | 61 Ų | 61 | 31.2 Ų | 31.2 | 37% | 0.37 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -49.9 | -178.6 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | L267 F269 W303 | L267-V276 PolarHBondContact O-N 2.97Å; F269-V276 HydrophobicContact CB-CG2 4.1Å; V276-W303 HydrophobicContact CB-CZ3 4.1Å; V276-W303 HydrophobicContact CG1-CH2 4.1Å; V276-W303 HydrophobicContact CG1-CZ3 4.18Å; V276-W303 HydrophobicContact CG2-CZ3 4.18Å |
| 277 | C | 93.2 | Very high | 89 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 164.1 | -178.7 | -82.7 | 0 | 0 | 0 | 0 | 109.7 | L267 H275 C293 G435 S437 | L267-C277 WeakPolarHBondContact CA-O 3.06Å; L267-C277 HydrophobicContact CB-CB 4.27Å; L267-C277 VanDerWaalsContact CB-O 3.27Å; L267-C277 WeakPolarHBondContact CB-O 3.49Å; L267-C277 HydrophobicContact CD1-CB 3.79Å; L267-C277 PolarHBondContact N-O 2.94Å; H275-C277 PolarHBondContact CE1-O 3.06Å; H275-C277 PolarHBondContact ND1-O 3.18Å; C277-C293 HydrophobicContact CB-CB 3.67Å; C277-C293 WeakPolarHBondContact CB-SG 3.32Å; C277-C293 WeakPolarHBondContact SG-CB 3.48Å; C277-C293 CovalentContact SG-SG 2.03Å; C277-C293 PolarHBondContact SG-SG 3.33Å; C277-G435 CarbonylContact C-O 3.52Å; C277-G435 WeakPolarHBondContact CA-O 3.27Å; C277-S437 WeakPolarHBondContact CB-O 3.49Å |
| 278 | A | 95.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 173 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I264 V265 L267 T289 W384 G435 S437 G438 G439 | I264-A278 HydrophobicContact CD1-CB 4.37Å; I264-A278 HydrophobicContact CG1-CB 4.47Å; V265-A278 CarbonylContact O-C 3.57Å; V265-A278 WeakPolarHBondContact O-CA 3.32Å; L267-A278 WeakPolarHBondContact CD1-O 3.38Å; A278-T289 PolarHBondContact O-OG1 3.18Å; A278-W384 HydrophobicContact CB-CZ3 4.49Å; A278-G435 PolarHBondContact N-O 3.37Å; A278-S437 PolarHBondContact N-O 2.67Å; A278-G438 CarbonylContact O-C 3.55Å; A278-G438 WeakPolarHBondContact O-CA 3.37Å; A278-G439 VanDerWaalsContact CB-CA 3.45Å |
| 279 | G | 97.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 179.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | I264 V265 M288 G438 | I264-G279 WeakPolarHBondContact CA-O 3.06Å; I264-G279 WeakPolarHBondContact CG1-O 3.44Å; V265-G279 PolarHBondContact N-O 2.76Å; V265-G279 PolarHBondContact O-N 2.98Å; G279-M288 CarbonylContact C-O 3.58Å; G279-M288 VanDerWaalsContact CA-O 3.26Å; G279-M288 WeakPolarHBondContact CA-O 3.2Å; G279-G438 WeakPolarHBondContact CA-O 3.27Å |
| 280 | S | 98.1 | Very high | 90 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.2 | 177.5 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | F263 I282 V287 M288 P440 Q451 | F263-S280 CarbonylContact O-C 3.53Å; F263-S280 WeakPolarHBondContact O-CA 3.38Å; S280-I282 PolarHBondContact O-N 3.48Å; S280-V287 CarbonylContact O-C 3.38Å; S280-V287 VanDerWaalsContact O-CA 3.28Å; S280-V287 WeakPolarHBondContact O-CA 3.33Å; S280-M288 PolarHBondContact N-O 3.12Å; S280-M288 PolarHBondContact O-N 3.42Å; S280-P440 WeakPolarHBondContact OG-CB 3.22Å; S280-Q451 PolarHBondContact OG-NE2 3.01Å; S280-Q451 PolarHBondContact OG-OE1 2.75Å |
| 281 | L | 98.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 108.3 | 174.3 | -171.2 | 68.4 | 0 | 0 | 0 | 108.8 | F263 V265 S283 V287 V307 L347 A351 L353 V358 L360 S361 | F263-L281 PolarHBondContact O-N 2.82Å; V265-L281 HydrophobicContact CG1-CB 3.9Å; L281-S283 WeakPolarHBondContact CD1-O 3.24Å; L281-S283 WeakPolarHBondContact CG-O 3.45Å; L281-V287 HydrophobicContact CD1-CG2 3.96Å; L281-V307 HydrophobicContact CD1-CG1 4.49Å; L281-V307 HydrophobicContact CD2-CG1 4.49Å; L281-L347 HydrophobicContact CD1-CD1 3.95Å; L281-A351 HydrophobicContact CD1-CB 4.32Å; L281-A351 HydrophobicContact CD2-CB 3.94Å; L281-L353 HydrophobicContact CD2-CD2 3.98Å; L281-V358 HydrophobicContact CD2-CG1 3.7Å; L281-L360 HydrophobicContact CD2-CD2 3.97Å; L281-L360 HydrophobicContact CG-CD2 3.88Å; L281-L360 CarbonylContact O-C 3.27Å; L281-L360 WeakPolarHBondContact O-CA 3.27Å; L281-S361 PolarHBondContact O-N 3.29Å |
| 282 | I | 97.7 | Very high | 92.2 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -20.3 | -175.1 | 64.9 | 167 | 0 | 0 | 0 | 113 | S280 W286 M288 L344 V363 L484 | S280-I282 PolarHBondContact O-N 3.48Å; I282-W286 HydrophobicContact CD1-CB 4.36Å; I282-W286 HydrophobicContact CG1-CB 3.94Å; I282-W286 WeakPolarHBondContact CG1-O 3.13Å; I282-W286 PolarHBondContact N-O 3Å; I282-M288 HydrophobicContact CD1-CB 4.28Å; I282-M288 HydrophobicContact CD1-CE 4.09Å; I282-M288 HydrophobicContact CG2-CB 3.61Å; I282-M288 HydrophobicContact CG2-CE 4.35Å; I282-L344 HydrophobicContact CD1-CD2 3.55Å; I282-V363 HydrophobicContact CB-CG1 4.25Å; I282-V363 HydrophobicContact CG2-CG1 3.53Å; I282-L484 HydrophobicContact CD1-CD1 4.13Å; I282-L484 HydrophobicContact CD1-CD2 3.97Å; I282-L484 HydrophobicContact CD1-CG 4.45Å; I282-L484 HydrophobicContact CG1-CD2 4.45Å |
| 283 | S | 96.2 | Very high | 93.6 | Very high | 33 Ų | 33 | 16.6 Ų | 16.6 | 23% | 0.231 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 172.5 | 164.8 | 77.9 | 0 | 0 | 0 | 0 | 109 | L281 Q285 W286 L360 | L281-S283 WeakPolarHBondContact CD1-O 3.24Å; L281-S283 WeakPolarHBondContact CG-O 3.45Å; S283-Q285 PolarHBondContact O-N 3.44Å; S283-Q285 PolarHBondContact OG-N 3.09Å; S283-W286 PolarHBondContact N-O 3.28Å; S283-W286 PolarHBondContact O-N 3.02Å; S283-W286 WeakPolarHBondContact OG-CB 3.29Å; S283-W286 PolarHBondContact OG-N 3.32Å; S283-W286 VanDerWaalsContact OG-N 3.12Å; S283-L360 VanDerWaalsContact C-CD2 3.45Å |
| 284 | A | 96.2 | Very high | 95.2 | Very high | 33 Ų | 33 | 15.8 Ų | 15.8 | 27% | 0.273 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P350 A351 L353 | A284-P350 HydrophobicContact CB-CB 4.27Å; A284-P350 CarbonylContact O-C 3.59Å; A284-P350 VanDerWaalsContact O-CA 3.23Å; A284-P350 WeakPolarHBondContact O-CA 3.48Å; A284-A351 PolarHBondContact O-N 3.47Å; A284-L353 HydrophobicContact CB-CD1 4.34Å |
| 285 | Q | 97.4 | Very high | 95.8 | Very high | 65 Ų | 65 | 17 Ų | 17 | 30% | 0.304 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -1.7 | 179.3 | -70.1 | -165.2 | -65.9 | 0 | 0 | 115.2 | S283 R346 L347 P350 | S283-Q285 PolarHBondContact O-N 3.44Å; S283-Q285 PolarHBondContact OG-N 3.09Å; Q285-R346 CarbonylContact O-C 3.41Å; Q285-R346 WeakPolarHBondContact O-CA 3.21Å; Q285-L347 PolarHBondContact O-N 3.03Å; Q285-P350 HydrophobicContact CG-CB 3.94Å; Q285-P350 HydrophobicContact CG-CG 3.78Å |
| 286 | W | 98.6 | Very high | 96 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 5% | 0.053 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.7 | -173.2 | -70.5 | 103.3 | 0 | 0 | 0 | 112.6 | I282 S283 V328 L344 L345 R346 V483 L484 | I282-W286 HydrophobicContact CD1-CB 4.36Å; I282-W286 HydrophobicContact CG1-CB 3.94Å; I282-W286 WeakPolarHBondContact CG1-O 3.13Å; I282-W286 PolarHBondContact N-O 3Å; S283-W286 PolarHBondContact N-O 3.28Å; S283-W286 PolarHBondContact O-N 3.02Å; S283-W286 WeakPolarHBondContact OG-CB 3.29Å; S283-W286 PolarHBondContact OG-N 3.32Å; S283-W286 VanDerWaalsContact OG-N 3.12Å; W286-V328 HydrophobicContact CH2-CG2 4.27Å; W286-V328 HydrophobicContact CZ3-CG2 4.29Å; W286-L344 HydrophobicContact CE3-CB 3.94Å; W286-L344 HydrophobicContact CZ3-CB 3.92Å; W286-L345 WeakPolarHBondContact CA-O 3.46Å; W286-R346 HydrophobicContact CD2-CB 4.19Å; W286-R346 HydrophobicContact CD2-CG 4.13Å; W286-R346 HydrophobicContact CE3-CB 3.83Å; W286-R346 HydrophobicContact CE3-CG 4.29Å; W286-R346 HydrophobicContact CH2-CB 3.87Å; W286-R346 HydrophobicContact CH2-CG 4.18Å; W286-R346 HydrophobicContact CZ2-CB 4.21Å; W286-R346 HydrophobicContact CZ2-CG 4.01Å; W286-R346 HydrophobicContact CZ3-CB 3.67Å; W286-R346 HydrophobicContact CZ3-CG 4.32Å; W286-V483 HydrophobicContact CH2-CG1 3.69Å; W286-V483 HydrophobicContact CZ2-CG1 4.22Å; W286-V483 WeakPolarHBondContact CZ2-O 3.17Å; W286-V483 HydrophobicContact CZ3-CG1 4.07Å; W286-L484 HydrophobicContact CB-CD2 3.53Å; W286-L484 HydrophobicContact CD2-CD2 3.9Å; W286-L484 HydrophobicContact CG-CD2 3.3Å |
| 287 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 136.2 | 174.1 | 170.4 | 0 | 0 | 0 | 0 | 109.5 | V265 S280 L281 V305 L344 L345 L347 | V265-V287 HydrophobicContact CG1-CG2 4.41Å; V265-V287 HydrophobicContact CG2-CG1 3.6Å; V265-V287 HydrophobicContact CG2-CG2 4.17Å; S280-V287 CarbonylContact O-C 3.38Å; S280-V287 VanDerWaalsContact O-CA 3.28Å; S280-V287 WeakPolarHBondContact O-CA 3.33Å; L281-V287 HydrophobicContact CD1-CG2 3.96Å; V287-V305 HydrophobicContact CG2-CG1 4.05Å; V287-V305 HydrophobicContact CG2-CG2 4.37Å; V287-L344 CarbonylContact O-C 3.36Å; V287-L344 WeakPolarHBondContact O-CA 3.16Å; V287-L345 HydrophobicContact CB-CB 4.24Å; V287-L345 HydrophobicContact CG1-CD1 4.2Å; V287-L345 PolarHBondContact N-O 2.96Å; V287-L345 PolarHBondContact O-N 3.04Å; V287-L347 HydrophobicContact CG2-CD2 4.07Å; V287-L347 HydrophobicContact CG2-CG 4.46Å |
| 288 | M | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138.3 | 169.1 | -174.6 | 178.9 | -76 | 0 | 0 | 109.9 | G279 S280 I282 I342 L344 V363 I454 V473 Y480 | G279-M288 CarbonylContact C-O 3.58Å; G279-M288 VanDerWaalsContact CA-O 3.26Å; G279-M288 WeakPolarHBondContact CA-O 3.2Å; S280-M288 PolarHBondContact N-O 3.12Å; S280-M288 PolarHBondContact O-N 3.42Å; I282-M288 HydrophobicContact CD1-CB 4.28Å; I282-M288 HydrophobicContact CD1-CE 4.09Å; I282-M288 HydrophobicContact CG2-CB 3.61Å; I282-M288 HydrophobicContact CG2-CE 4.35Å; M288-I342 HydrophobicContact CE-CD1 4.14Å; M288-I342 HydrophobicContact CG-CD1 4.13Å; M288-I342 HydrophobicContact CG-CG1 4.22Å; M288-I342 HydrophobicContact SD-CD1 4.03Å; M288-L344 HydrophobicContact CB-CD2 4.12Å; M288-L344 HydrophobicContact CE-CD2 4.35Å; M288-L344 HydrophobicContact CG-CD2 4.37Å; M288-V363 HydrophobicContact CE-CG1 4Å; M288-V363 HydrophobicContact SD-CG1 4.2Å; M288-I454 HydrophobicContact CG-CD1 3.69Å; M288-I454 HydrophobicContact CG-CG1 4.39Å; M288-I454 HydrophobicContact SD-CD1 3.78Å; M288-I454 HydrophobicContact SD-CG1 4.29Å; M288-V473 HydrophobicContact CE-CG1 3.97Å; M288-V473 HydrophobicContact SD-CG1 3.72Å; M288-V473 HydrophobicContact SD-CG2 4.3Å; M288-Y480 HydrophobicContact CE-CD1 3.62Å; M288-Y480 HydrophobicContact CE-CE1 4.06Å; M288-Y480 HydrophobicContact CE-CG 4Å |
| 289 | T | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | -177 | 176.6 | -171.5 | 0 | 0 | 0 | 0 | 110.4 | L267 A278 I294 I342 A343 L345 G438 | L267-T289 HydrophobicContact CD1-CG2 3.93Å; L267-T289 VanDerWaalsContact CD1-OG1 3.22Å; L267-T289 WeakPolarHBondContact CD1-OG1 3.43Å; A278-T289 PolarHBondContact O-OG1 3.18Å; T289-I294 HydrophobicContact CG2-CG1 4.15Å; T289-I342 CarbonylContact O-C 3.53Å; T289-I342 WeakPolarHBondContact O-CA 3.28Å; T289-A343 HydrophobicContact CG2-CB 4.26Å; T289-A343 PolarHBondContact N-O 3.07Å; T289-A343 PolarHBondContact O-N 3.07Å; T289-L345 HydrophobicContact CG2-CD1 3.76Å; T289-L345 HydrophobicContact CG2-CD2 4.27Å; T289-L345 HydrophobicContact CG2-CG 4Å; T289-G438 VanDerWaalsContact OG1-CA 3.32Å; T289-G438 WeakPolarHBondContact OG1-CA 3.31Å |
| 290 | A | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -78.7 | 146.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | I454 | A290-I454 HydrophobicContact CB-CG2 4.11Š| ||
| 291 | A | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -68.9 | -36.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C293 I294 Q295 I329 Y333 D341 A343 | A291-C293 PolarHBondContact O-N 3.37Å; A291-I294 PolarHBondContact O-N 3.43Å; A291-Q295 VanDerWaalsContact O-CB 3.28Å; A291-Q295 WeakPolarHBondContact O-CB 3.4Å; A291-Q295 PolarHBondContact O-N 2.97Å; A291-I329 HydrophobicContact CB-CG2 3.85Å; A291-Y333 HydrophobicContact CB-CD1 3.77Å; A291-Y333 HydrophobicContact CB-CD2 3.63Å; A291-Y333 HydrophobicContact CB-CE1 4Å; A291-Y333 HydrophobicContact CB-CE2 3.87Å; A291-Y333 HydrophobicContact CB-CG 3.58Å; A291-D341 VanDerWaalsContact CA-OD1 3.32Å; A291-D341 WeakPolarHBondContact CA-OD1 3.42Å; A291-D341 WeakPolarHBondContact CB-OD1 3.42Å; A291-D341 PolarHBondContact N-OD1 3.38Å; A291-A343 HydrophobicContact CB-CB 4.47Å |
| 292 | H | 94.7 | Very high | 95.6 | Very high | 41 Ų | 41 | 43 Ų | 43 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -28.4 | -178.9 | 79.9 | -99.1 | 0 | 0 | 0 | 113.2 | I294 P296 Y333 Y338 D341 S437 S456 | H292-I294 VanDerWaalsContact C-N 3.27Å; H292-I294 PolarHBondContact O-N 2.79Å; H292-P296 WeakPolarHBondContact O-CD 3.3Å; H292-Y333 WeakPolarHBondContact CB-OH 3.33Å; H292-Y338 HydrophobicContact CB-CD1 4.1Å; H292-Y338 HydrophobicContact CB-CE1 4.02Å; H292-D341 IonicContact CE1-OD2 3.03Å; H292-D341 IonicContact CG-OD2 3.84Å; H292-D341 PolarHBondContact N-OD1 3.05Å; H292-D341 IonicContact ND1-OD1 3.53Å; H292-D341 IonicContact ND1-OD2 2.79Å; H292-D341 PolarHBondContact ND1-OD2 3.14Å; H292-S437 PolarHBondContact CE1-OG 2.73Å; H292-S437 VanDerWaalsContact NE2-CB 3.25Å; H292-S437 WeakPolarHBondContact NE2-CB 3.48Å; H292-S437 PolarHBondContact NE2-OG 2.94Å; H292-S456 PolarHBondContact CE1-O 2.97Å; H292-S456 PolarHBondContact ND1-O 3.49Å |
| 293 | C | 93.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -29.5 | 175.2 | -70.2 | 0 | 0 | 0 | 0 | 113.5 | C277 A291 W303 | C277-C293 HydrophobicContact CB-CB 3.67Å; C277-C293 WeakPolarHBondContact CB-SG 3.32Å; C277-C293 WeakPolarHBondContact SG-CB 3.48Å; C277-C293 CovalentContact SG-SG 2.03Å; C277-C293 PolarHBondContact SG-SG 3.33Å; A291-C293 PolarHBondContact O-N 3.37Å; C293-W303 VanDerWaalsContact O-CH2 3.24Å; C293-W303 WeakPolarHBondContact O-CH2 3.44Å |
| 294 | I | 94 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -32.8 | -167.8 | -54.7 | -64 | 0 | 0 | 0 | 112.3 | L267 T289 A291 H292 P296 M297 W303 I327 L345 | L267-I294 HydrophobicContact CD1-CD1 4.27Å; T289-I294 HydrophobicContact CG2-CG1 4.15Å; A291-I294 PolarHBondContact O-N 3.43Å; H292-I294 VanDerWaalsContact C-N 3.27Å; H292-I294 PolarHBondContact O-N 2.79Å; I294-P296 VanDerWaalsContact C-N 3.31Å; I294-M297 CarbonylContact O-C 3.5Å; I294-M297 PolarHBondContact O-N 3.46Å; I294-W303 HydrophobicContact CD1-CD2 3.92Å; I294-W303 HydrophobicContact CD1-CE3 4.03Å; I294-W303 HydrophobicContact CD1-CH2 3.87Å; I294-W303 HydrophobicContact CD1-CZ2 3.76Å; I294-W303 HydrophobicContact CD1-CZ3 4.01Å; I294-I327 HydrophobicContact CG2-CD1 3.72Å; I294-I327 HydrophobicContact CG2-CG1 4.25Å; I294-I327 HydrophobicContact CG2-CG2 3.58Å; I294-L345 HydrophobicContact CD1-CD1 4.37Å; I294-L345 HydrophobicContact CD1-CD2 4.38Å; I294-L345 HydrophobicContact CG1-CD2 4.01Å; I294-L345 HydrophobicContact CG2-CD2 4.4Å |
| 295 | Q | 94.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 41.5 Ų | 41.5 | 29% | 0.29 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -38.7 | -178 | -174.1 | -88.9 | -81.2 | 0 | 0 | 114.4 | A291 M297 I329 Y333 | A291-Q295 VanDerWaalsContact O-CB 3.28Å; A291-Q295 WeakPolarHBondContact O-CB 3.4Å; A291-Q295 PolarHBondContact O-N 2.97Å; Q295-M297 PolarHBondContact O-N 3.1Å; Q295-I329 HydrophobicContact CB-CD1 3.98Å; Q295-I329 HydrophobicContact CG-CD1 4.39Å; Q295-Y333 HydrophobicContact CB-CD1 4.39Å; Q295-Y333 HydrophobicContact CB-CE1 3.98Å; Q295-Y333 HydrophobicContact CG-CD1 4.13Å; Q295-Y333 HydrophobicContact CG-CE1 3.9Å |
| 296 | P | 91 | Very high | 95.2 | Very high | 89 Ų | 89 | 38.5 Ų | 38.5 | 58% | 0.578 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.9 | 176.8 | -24.9 | 36 | 0 | 0 | 0 | 114.2 | H292 I294 | H292-P296 WeakPolarHBondContact O-CD 3.3Å; I294-P296 VanDerWaalsContact C-N 3.31Å |
| 297 | M | 91.8 | Very high | 95.1 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 36% | 0.36 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -144.4 | 71.3 | -176 | -65.7 | -173.5 | -73.3 | 0 | 0 | 111.5 | F269 I294 Q295 D299 W303 | F269-M297 HydrophobicContact CD2-CE 3.93Å; F269-M297 HydrophobicContact CE1-SD 4.36Å; F269-M297 HydrophobicContact CE2-CB 4.19Å; F269-M297 HydrophobicContact CE2-CE 3.39Å; F269-M297 HydrophobicContact CE2-CG 4.49Å; F269-M297 HydrophobicContact CE2-SD 3.49Å; F269-M297 WeakPolarHBondContact CE2-SD 3.48Å; F269-M297 HydrophobicContact CZ-CE 3.74Å; F269-M297 HydrophobicContact CZ-SD 3.36Å; F269-M297 WeakPolarHBondContact CZ-SD 3.41Å; I294-M297 CarbonylContact O-C 3.5Å; I294-M297 PolarHBondContact O-N 3.46Å; Q295-M297 PolarHBondContact O-N 3.1Å; M297-D299 PolarHBondContact O-N 3.11Å; M297-D299 VanDerWaalsContact O-N 3.09Å; M297-W303 HydrophobicContact CB-CZ2 4.44Å; M297-W303 PolarHBondContact O-NE1 2.87Å |
| 298 | P | 92.8 | Very high | 94.7 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 47% | 0.474 | 19% | 0.191 | S | C | . | . | trans | -82.2 | 17.8 | -166.8 | 35.1 | -37.7 | 0 | 0 | 0 | 115.1 | P300 I327 I329 | P298-P300 WeakPolarHBondContact O-CD 3.39Å; P298-I327 WeakPolarHBondContact O-CD1 3.09Å; P298-I329 HydrophobicContact CB-CD1 4.31Å | ||
| 299 | D | 95.6 | Very high | 94.3 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 34% | 0.337 | 19% | 0.194 | S | C | . | . | trans | -82.2 | 113.7 | 176.5 | 173.3 | 11.1 | 0 | 0 | 0 | 110.6 | M297 K301 R302 W303 | M297-D299 PolarHBondContact O-N 3.11Å; M297-D299 VanDerWaalsContact O-N 3.09Å; D299-K301 PolarHBondContact O-N 2.93Å; D299-K301 VanDerWaalsContact O-N 3.07Å; D299-K301 WeakPolarHBondContact OD1-CB 3.45Å; D299-K301 WeakPolarHBondContact OD1-CG 3.32Å; D299-K301 PolarHBondContact OD1-N 3.43Å; D299-R302 HydrophobicContact CB-CG 4.24Å; D299-R302 PolarHBondContact O-N 2.72Å; D299-R302 VanDerWaalsContact O-N 3.08Å; D299-R302 IonicContact OD2-NE 3.93Å; D299-W303 VanDerWaalsContact O-CD1 3.27Å | ||
| 300 | P | 95.4 | Very high | 93.7 | Very high | 31 Ų | 31 | 40.2 Ų | 40.2 | 20% | 0.201 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -56.7 | -28 | -178.5 | -23.4 | 33.4 | 0 | 0 | 0 | 113.8 | P298 R302 W303 L324 I327 | P298-P300 WeakPolarHBondContact O-CD 3.39Å; P300-R302 PolarHBondContact O-N 2.94Å; P300-W303 PolarHBondContact O-N 2.84Å; P300-L324 HydrophobicContact CB-CB 3.86Å; P300-I327 HydrophobicContact CB-CD1 4.21Å; P300-I327 HydrophobicContact CB-CG1 4.36Å; P300-I327 HydrophobicContact CG-CB 4.42Å; P300-I327 HydrophobicContact CG-CD1 3.96Å; P300-I327 HydrophobicContact CG-CG1 4.01Å |
| 301 | K | 94.5 | Very high | 93 | Very high | 181 Ų | 181 | 44.1 Ų | 44.1 | 79% | 0.787 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -66.7 | -17.6 | -178.4 | -60.9 | 173.9 | -178.2 | 174.5 | 0 | 113.3 | D299 | D299-K301 PolarHBondContact O-N 2.93Å; D299-K301 VanDerWaalsContact O-N 3.07Å; D299-K301 WeakPolarHBondContact OD1-CB 3.45Å; D299-K301 WeakPolarHBondContact OD1-CG 3.32Å; D299-K301 PolarHBondContact OD1-N 3.43Å |
| 302 | R | 92.6 | Very high | 92.2 | Very high | 118 Ų | 118 | 46.5 Ų | 46.5 | 45% | 0.445 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -90.7 | -1.6 | 179.9 | -65.1 | -177 | 169.6 | -151.2 | -7.1 | 114 | F269 S270 D299 P300 | F269-R302 CarbonylContact C-O 3.16Å; F269-R302 WeakPolarHBondContact CA-O 3.22Å; F269-R302 HydrophobicContact CD2-CB 4.37Å; F269-R302 HydrophobicContact CE2-CB 3.74Å; F269-R302 HydrophobicContact CZ-CB 4.02Å; F269-R302 HydrophobicContact CZ-CG 4.38Å; S270-R302 PolarHBondContact N-O 3.04Å; S270-R302 PolarHBondContact OG-O 2.82Å; D299-R302 HydrophobicContact CB-CG 4.24Å; D299-R302 PolarHBondContact O-N 2.72Å; D299-R302 VanDerWaalsContact O-N 3.08Å; D299-R302 IonicContact OD2-NE 3.93Å; P300-R302 PolarHBondContact O-N 2.94Å |
| 303 | W | 95.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.011 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 142.7 | -171.4 | -66 | 99.1 | 0 | 0 | 0 | 113.4 | L267 F269 V276 C293 I294 M297 D299 P300 L324 | L267-W303 HydrophobicContact CB-CZ3 4.45Å; F269-W303 HydrophobicContact CD2-CD2 4.29Å; F269-W303 HydrophobicContact CD2-CE3 4.37Å; F269-W303 HydrophobicContact CD2-CH2 4.2Å; F269-W303 HydrophobicContact CD2-CZ2 4.09Å; F269-W303 HydrophobicContact CD2-CZ3 4.33Å; F269-W303 HydrophobicContact CE2-CZ2 4.36Å; V276-W303 HydrophobicContact CB-CZ3 4.1Å; V276-W303 HydrophobicContact CG1-CH2 4.1Å; V276-W303 HydrophobicContact CG1-CZ3 4.18Å; V276-W303 HydrophobicContact CG2-CZ3 4.18Å; C293-W303 VanDerWaalsContact O-CH2 3.24Å; C293-W303 WeakPolarHBondContact O-CH2 3.44Å; I294-W303 HydrophobicContact CD1-CD2 3.92Å; I294-W303 HydrophobicContact CD1-CE3 4.03Å; I294-W303 HydrophobicContact CD1-CH2 3.87Å; I294-W303 HydrophobicContact CD1-CZ2 3.76Å; I294-W303 HydrophobicContact CD1-CZ3 4.01Å; M297-W303 HydrophobicContact CB-CZ2 4.44Å; M297-W303 PolarHBondContact O-NE1 2.87Å; D299-W303 VanDerWaalsContact O-CD1 3.27Å; P300-W303 PolarHBondContact O-N 2.84Å; W303-L324 HydrophobicContact CB-CD1 3.6Å; W303-L324 HydrophobicContact CB-CG 4.02Å; W303-L324 HydrophobicContact CG-CD1 4.24Å |
| 304 | F | 94.9 | Very high | 90.8 | Very high | 49 Ų | 49 | 54 Ų | 54 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 146.1 | 168.6 | -62 | -89.3 | 0 | 0 | 0 | 109.4 | R268 R321 I322 K323 | R268-F304 HydrophobicContact CB-CB 4.46Å; R268-F304 PolarHBondContact N-O 2.85Å; R268-F304 PolarHBondContact O-N 2.83Å; F304-R321 HydrophobicContact CB-CG 4.08Å; F304-R321 HydrophobicContact CD1-CG 3.76Å; F304-R321 HydrophobicContact CG-CG 4.21Å; F304-I322 WeakPolarHBondContact CA-O 3.4Å; F304-K323 HydrophobicContact CD1-CG 3.87Å; F304-K323 HydrophobicContact CE1-CD 4.37Å; F304-K323 HydrophobicContact CE1-CG 3.56Å; F304-K323 HydrophobicContact CZ-CG 4.47Å |
| 305 | V | 95.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.3 | 168.1 | 176 | 0 | 0 | 0 | 0 | 107.3 | V265 L267 V287 V307 I322 L324 L347 | V265-V305 HydrophobicContact CB-CG1 3.71Å; V265-V305 HydrophobicContact CG1-CG1 4.28Å; V265-V305 HydrophobicContact CG2-CG1 3.67Å; L267-V305 HydrophobicContact CD2-CG2 3.93Å; V287-V305 HydrophobicContact CG2-CG1 4.05Å; V287-V305 HydrophobicContact CG2-CG2 4.37Å; V305-V307 HydrophobicContact CG1-CG1 3.83Å; V305-I322 PolarHBondContact N-O 3.22Å; V305-I322 PolarHBondContact O-N 2.89Å; V305-L324 HydrophobicContact CG2-CD2 3.64Å; V305-L347 HydrophobicContact CB-CD2 3.83Å; V305-L347 HydrophobicContact CG1-CD2 4.17Å; V305-L347 HydrophobicContact CG2-CD2 3.72Å |
| 306 | D | 94.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 120 | 165.5 | -67.1 | 1.6 | 0 | 0 | 0 | 109.2 | V265 S266 R268 R309 V319 Q320 R321 | V265-D306 WeakPolarHBondContact CA-O 3.43Å; S266-D306 PolarHBondContact N-O 2.98Å; S266-D306 PolarHBondContact O-N 2.82Å; R268-D306 WeakPolarHBondContact CD-OD2 3.44Å; R268-D306 IonicContact NE-OD2 3.34Å; D306-R309 WeakPolarHBondContact OD2-CD 3.24Å; D306-R309 IonicContact OD2-CZ 2.71Å; D306-R309 IonicContact OD2-NE 3.23Å; D306-R309 PolarHBondContact OD2-NE 2.92Å; D306-R309 VanDerWaalsContact OD2-NE 3.16Å; D306-V319 HydrophobicContact CB-CG1 4.08Å; D306-Q320 WeakPolarHBondContact CA-O 3.3Å; D306-R321 WeakPolarHBondContact OD1-CB 3.09Å; D306-R321 VanDerWaalsContact OD1-CG 3.31Å; D306-R321 WeakPolarHBondContact OD1-CG 3.05Å; D306-R321 IonicContact OD1-CZ 2.71Å; D306-R321 IonicContact OD1-NE 2.65Å; D306-R321 PolarHBondContact OD1-NE 3.15Å; D306-R321 IonicContact OD1-NH2 3.89Å; D306-R321 PolarHBondContact OD1-NH2 2.92Å; D306-R321 IonicContact OD2-CZ 2.72Å; D306-R321 IonicContact OD2-NE 3.21Å; D306-R321 IonicContact OD2-NH2 3.17Å; D306-R321 PolarHBondContact OD2-NH2 3.16Å |
| 307 | V | 95.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 156.9 | 171.9 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | V265 L281 V305 R309 V319 Q320 I322 A351 V358 | V265-V307 HydrophobicContact CB-CG1 4.16Å; V265-V307 HydrophobicContact CG1-CG1 3.68Å; L281-V307 HydrophobicContact CD1-CG1 4.49Å; L281-V307 HydrophobicContact CD2-CG1 4.49Å; V305-V307 HydrophobicContact CG1-CG1 3.83Å; V307-R309 VanDerWaalsContact C-N 3.25Å; V307-R309 PolarHBondContact O-N 2.78Å; V307-V319 WeakPolarHBondContact O-CA 3.46Å; V307-Q320 HydrophobicContact CG2-CB 3.71Å; V307-Q320 HydrophobicContact CG2-CG 4.2Å; V307-Q320 PolarHBondContact N-O 2.73Å; V307-Q320 PolarHBondContact O-N 2.83Å; V307-Q320 VanDerWaalsContact O-N 3.12Å; V307-I322 HydrophobicContact CG2-CD1 4.39Å; V307-A351 HydrophobicContact CG2-CB 4.25Å; V307-V358 HydrophobicContact CB-CG1 4.18Å; V307-V358 HydrophobicContact CB-CG2 4.42Å; V307-V358 HydrophobicContact CG2-CG1 4Å; V307-V358 HydrophobicContact CG2-CG2 4.05Å |
| 308 | G | 91.1 | Very high | 88.9 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 75.4 | 10 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E318 Q357 | G308-E318 WeakPolarHBondContact O-CG 3.1Å; G308-Q357 WeakPolarHBondContact CA-O 3.23Å |
| 309 | R | 90.5 | Very high | 88.9 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 6% | 0.06 | 28% | 0.275 | C | S | . | . | trans | -82.6 | 135.5 | -171.6 | -149.5 | 143.3 | -174.5 | -78.8 | 6.7 | 111 | D306 V307 Y311 R312 N313 F314 V319 W384 | D306-R309 WeakPolarHBondContact OD2-CD 3.24Å; D306-R309 IonicContact OD2-CZ 2.71Å; D306-R309 IonicContact OD2-NE 3.23Å; D306-R309 PolarHBondContact OD2-NE 2.92Å; D306-R309 VanDerWaalsContact OD2-NE 3.16Å; V307-R309 VanDerWaalsContact C-N 3.25Å; V307-R309 PolarHBondContact O-N 2.78Å; R309-Y311 WeakPolarHBondContact CG-O 3.47Å; R309-Y311 PolarHBondContact NH1-O 2.88Å; R309-R312 VanDerWaalsContact NH1-C 3.3Å; R309-R312 PolarHBondContact NH1-O 2.97Å; R309-N313 PolarHBondContact NH2-O 2.82Å; R309-F314 VanDerWaalsContact CZ-O 3.24Å; R309-F314 PolarHBondContact NH2-O 3.02Å; R309-V319 HydrophobicContact CB-CG2 4.1Å; R309-V319 HydrophobicContact CG-CG1 4.37Å; R309-V319 HydrophobicContact CG-CG2 3.8Å; R309-W384 HydrophobicContact CB-CZ2 4.32Å; R309-W384 WeakPolarHBondContact O-CZ2 3.1Å | ||
| 310 | Y | 84.2 | Confident | 88.9 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | trans | -103.1 | -48.7 | 169.3 | -176 | -108.7 | 0 | 0 | 0 | 112 | A256 K258 W384 V395 L396 | A256-Y310 VanDerWaalsContact O-CE2 3.22Å; A256-Y310 WeakPolarHBondContact O-CE2 3.43Å; A256-Y310 PolarHBondContact O-OH 2.93Å; K258-Y310 HydrophobicContact CB-CD2 4.46Å; K258-Y310 HydrophobicContact CB-CE2 4.5Å; K258-Y310 HydrophobicContact CD-CD1 4.3Å; K258-Y310 HydrophobicContact CD-CE1 4.41Å; K258-Y310 HydrophobicContact CD-CG 4.46Å; K258-Y310 VanDerWaalsContact CE-CD1 3.43Å; K258-Y310 HydrophobicContact CG-CD1 3.96Å; K258-Y310 HydrophobicContact CG-CD2 3.7Å; K258-Y310 HydrophobicContact CG-CE1 3.93Å; K258-Y310 HydrophobicContact CG-CE2 3.69Å; K258-Y310 HydrophobicContact CG-CG 3.83Å; Y310-W384 PolarHBondContact O-NE1 3.34Å; Y310-V395 HydrophobicContact CD1-CG1 4.25Å; Y310-V395 HydrophobicContact CE1-CB 3.82Å; Y310-V395 HydrophobicContact CE1-CG1 3.55Å; Y310-L396 HydrophobicContact CD2-CB 4.17Å; Y310-L396 HydrophobicContact CE2-CB 4.22Å; Y310-L396 PolarHBondContact O-N 2.78Å | ||
| 311 | Y | 83.7 | Confident | 88.8 | Confident | 81 Ų | 81 | 57.2 Ų | 57.2 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -83.9 | 141.9 | -177.8 | -59.4 | -84 | 0 | 0 | 0 | 112.2 | K258 R309 F314 D394 V395 | K258-Y311 PolarHBondContact NZ-OH 3.24Å; R309-Y311 WeakPolarHBondContact CG-O 3.47Å; R309-Y311 PolarHBondContact NH1-O 2.88Å; Y311-F314 VanDerWaalsContact O-O 3.12Å; Y311-D394 CarbonylContact C-O 3.24Å; Y311-D394 WeakPolarHBondContact CA-O 3.08Å; Y311-D394 WeakPolarHBondContact CB-O 3.32Å; Y311-D394 WeakPolarHBondContact CD1-O 3.31Å; Y311-V395 HydrophobicContact CD1-CG1 3.76Å; Y311-V395 HydrophobicContact CE1-CG1 3.7Å |
| 312 | R | 81.2 | Confident | 88.9 | Confident | 50 Ų | 50 | 49 Ų | 49 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -68.2 | -41.6 | -178.5 | -176.8 | -177 | -176.6 | -84.9 | 8.3 | 112.6 | R268 H275 R309 W384 D386 N393 D394 | R268-R312 PolarHBondContact NH1-O 2.64Å; R268-R312 VanDerWaalsContact NH1-O 3.17Å; H275-R312 HydrophobicContact CB-CG 4.47Å; R309-R312 VanDerWaalsContact NH1-C 3.3Å; R309-R312 PolarHBondContact NH1-O 2.97Å; R312-W384 HydrophobicContact CB-CB 4.19Å; R312-W384 HydrophobicContact CB-CG 4.29Å; R312-W384 VanDerWaalsContact CD-O 3.31Å; R312-W384 WeakPolarHBondContact CD-O 3.3Å; R312-W384 HydrophobicContact CG-CB 3.89Å; R312-W384 HydrophobicContact CG-CG 4.42Å; R312-W384 PolarHBondContact NE-O 3.05Å; R312-D386 IonicContact CZ-OD2 2.98Å; R312-D386 IonicContact NE-OD2 2.6Å; R312-D386 PolarHBondContact NE-OD2 2.95Å; R312-D386 IonicContact NH1-OD2 3.88Å; R312-D386 IonicContact NH2-OD2 3.66Å; R312-N393 WeakPolarHBondContact CD-O 3.39Å; R312-D394 PolarHBondContact N-O 3.06Å |
| 313 | N | 80.6 | Confident | 89.1 | Confident | 72 Ų | 72 | 48.9 Ų | 48.9 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -102.3 | -43 | -172.7 | -62.9 | -39.5 | 0 | 0 | 0 | 111.3 | R309 D394 | R309-N313 PolarHBondContact NH2-O 2.82Å; N313-D394 PolarHBondContact ND2-OD1 3.22Å |
| 314 | F | 78.3 | Confident | 89.2 | Confident | 137 Ų | 137 | 49.2 Ų | 49.2 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | trans | -87.7 | 155.9 | 178.8 | -52.9 | -79.6 | 0 | 0 | 0 | 112.7 | R309 Y311 | R309-F314 VanDerWaalsContact CZ-O 3.24Å; R309-F314 PolarHBondContact NH2-O 3.02Å; Y311-F314 VanDerWaalsContact O-O 3.12Å | ||
| 315 | G | 77.9 | Confident | 89.3 | Confident | 53 Ų | 53 | 49.7 Ų | 49.7 | 55% | 0.546 | 26% | 0.262 | S | S | . | . | trans | -121.4 | 157.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 316 | G | 81.9 | Confident | 89.4 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 27% | 0.268 | 28% | 0.279 | S | S | . | . | trans | -119.1 | -177.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E318 V319 | G316-E318 VanDerWaalsContact C-OE2 3.23Å; G316-E318 VanDerWaalsContact CA-OE1 3.27Å; G316-E318 WeakPolarHBondContact CA-OE1 3.47Å; G316-E318 VanDerWaalsContact CA-OE2 3.31Å; G316-E318 WeakPolarHBondContact CA-OE2 3.34Å; G316-E318 PolarHBondContact N-OE1 2.93Å; G316-E318 PolarHBondContact O-N 3.03Å; G316-E318 VanDerWaalsContact O-N 3.12Å; G316-V319 WeakPolarHBondContact O-CB 3.12Å; G316-V319 PolarHBondContact O-N 3.19Å | ||
| 317 | P | 85.5 | Confident | 89.5 | Confident | 140 Ų | 140 | 54.6 Ų | 54.6 | 91% | 0.909 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.1 | 179.6 | 27.5 | -36.6 | 0 | 0 | 0 | 113.7 | V319 | P317-V319 VanDerWaalsContact C-N 3.29Š|
| 318 | E | 85.5 | Confident | 89.7 | Confident | 29 Ų | 29 | 56 Ų | 56 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.9 | 173.7 | 69 | -76.4 | 169.6 | 0 | 0 | 114.5 | G308 G316 N355 Q357 | G308-E318 WeakPolarHBondContact O-CG 3.1Å; G316-E318 VanDerWaalsContact C-OE2 3.23Å; G316-E318 VanDerWaalsContact CA-OE1 3.27Å; G316-E318 WeakPolarHBondContact CA-OE1 3.47Å; G316-E318 VanDerWaalsContact CA-OE2 3.31Å; G316-E318 WeakPolarHBondContact CA-OE2 3.34Å; G316-E318 PolarHBondContact N-OE1 2.93Å; G316-E318 PolarHBondContact O-N 3.03Å; G316-E318 VanDerWaalsContact O-N 3.12Å; E318-N355 WeakPolarHBondContact CA-ND2 3.32Å; E318-N355 WeakPolarHBondContact CB-ND2 3.16Å; E318-N355 PolarHBondContact O-ND2 2.91Å; E318-N355 VanDerWaalsContact O-ND2 3.16Å; E318-Q357 HydrophobicContact CB-CB 4.49Å |
| 319 | V | 92.5 | Very high | 90 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 19% | 0.194 | 30% | 0.302 | C | S | . | . | trans | -83 | 125.1 | -168 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | D306 V307 R309 G316 P317 | D306-V319 HydrophobicContact CB-CG1 4.08Å; V307-V319 WeakPolarHBondContact O-CA 3.46Å; R309-V319 HydrophobicContact CB-CG2 4.1Å; R309-V319 HydrophobicContact CG-CG1 4.37Å; R309-V319 HydrophobicContact CG-CG2 3.8Å; G316-V319 WeakPolarHBondContact O-CB 3.12Å; G316-V319 PolarHBondContact O-N 3.19Å; P317-V319 VanDerWaalsContact C-N 3.29Å | ||
| 320 | Q | 94.5 | Very high | 90.4 | Very high | 43 Ų | 43 | 58.1 Ų | 58.1 | 20% | 0.201 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 116.1 | 172.8 | -48.9 | 164.5 | 40.3 | 0 | 0 | 109 | D306 V307 I322 N352 | D306-Q320 WeakPolarHBondContact CA-O 3.3Å; V307-Q320 HydrophobicContact CG2-CB 3.71Å; V307-Q320 HydrophobicContact CG2-CG 4.2Å; V307-Q320 PolarHBondContact N-O 2.73Å; V307-Q320 PolarHBondContact O-N 2.83Å; V307-Q320 VanDerWaalsContact O-N 3.12Å; Q320-I322 HydrophobicContact CB-CD1 4.29Å; Q320-I322 HydrophobicContact CB-CG1 4.32Å; Q320-N352 PolarHBondContact NE2-O 2.87Å |
| 321 | R | 94 | Very high | 91 | Very high | 136 Ų | 136 | 61.9 Ų | 61.9 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 116.5 | 173 | 176 | 163.2 | -67.4 | 168.4 | 6.3 | 110.1 | F304 D306 | F304-R321 HydrophobicContact CB-CG 4.08Å; F304-R321 HydrophobicContact CD1-CG 3.76Å; F304-R321 HydrophobicContact CG-CG 4.21Å; D306-R321 WeakPolarHBondContact OD1-CB 3.09Å; D306-R321 VanDerWaalsContact OD1-CG 3.31Å; D306-R321 WeakPolarHBondContact OD1-CG 3.05Å; D306-R321 IonicContact OD1-CZ 2.71Å; D306-R321 IonicContact OD1-NE 2.65Å; D306-R321 PolarHBondContact OD1-NE 3.15Å; D306-R321 IonicContact OD1-NH2 3.89Å; D306-R321 PolarHBondContact OD1-NH2 2.92Å; D306-R321 IonicContact OD2-CZ 2.72Å; D306-R321 IonicContact OD2-NE 3.21Å; D306-R321 IonicContact OD2-NH2 3.17Å; D306-R321 PolarHBondContact OD2-NH2 3.16Å |
| 322 | I | 96.2 | Very high | 91.6 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.3 | -171.9 | -52.1 | 172.4 | 0 | 0 | 0 | 109.5 | F304 V305 V307 Q320 L347 T349 A351 | F304-I322 WeakPolarHBondContact CA-O 3.4Å; V305-I322 PolarHBondContact N-O 3.22Å; V305-I322 PolarHBondContact O-N 2.89Å; V307-I322 HydrophobicContact CG2-CD1 4.39Å; Q320-I322 HydrophobicContact CB-CD1 4.29Å; Q320-I322 HydrophobicContact CB-CG1 4.32Å; I322-L347 HydrophobicContact CB-CD2 4.36Å; I322-L347 HydrophobicContact CD1-CD1 4.05Å; I322-L347 HydrophobicContact CG2-CB 3.87Å; I322-L347 HydrophobicContact CG2-CD1 4.46Å; I322-L347 HydrophobicContact CG2-CD2 4.16Å; I322-L347 HydrophobicContact CG2-CG 4.38Å; I322-T349 WeakPolarHBondContact CG2-OG1 3.39Å; I322-A351 HydrophobicContact CD1-CB 3.86Å |
| 323 | K | 96.6 | Very high | 92.4 | Very high | 115 Ų | 115 | 60.8 Ų | 60.8 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 157.9 | 174.7 | -71.6 | 175.1 | 178.5 | 177 | 0 | 111 | F304 Q348 | F304-K323 HydrophobicContact CD1-CG 3.87Å; F304-K323 HydrophobicContact CE1-CD 4.37Å; F304-K323 HydrophobicContact CE1-CG 3.56Å; F304-K323 HydrophobicContact CZ-CG 4.47Å; K323-Q348 HydrophobicContact CB-CB 4.11Å; K323-Q348 WeakPolarHBondContact O-CB 3.28Å; K323-Q348 PolarHBondContact O-N 3.2Å |
| 324 | L | 97.4 | Very high | 93.1 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 143.6 | 168.9 | -61.1 | -173 | 0 | 0 | 0 | 112.1 | P300 W303 V305 I327 L345 R346 L347 | P300-L324 HydrophobicContact CB-CB 3.86Å; W303-L324 HydrophobicContact CB-CD1 3.6Å; W303-L324 HydrophobicContact CB-CG 4.02Å; W303-L324 HydrophobicContact CG-CD1 4.24Å; V305-L324 HydrophobicContact CG2-CD2 3.64Å; L324-I327 HydrophobicContact CD1-CD1 4.04Å; L324-I327 HydrophobicContact CD1-CG1 3.84Å; L324-L345 HydrophobicContact CD1-CB 3.96Å; L324-L345 HydrophobicContact CD1-CD1 4.13Å; L324-L345 HydrophobicContact CD1-CD2 4.21Å; L324-L345 HydrophobicContact CD1-CG 4.33Å; L324-L345 HydrophobicContact CD2-CB 3.76Å; L324-R346 CarbonylContact C-O 3.56Å; L324-R346 WeakPolarHBondContact CA-O 3.4Å; L324-L347 HydrophobicContact CD2-CD2 4Å |
| 325 | S | 97.1 | Very high | 93.7 | Very high | 59 Ų | 59 | 60.9 Ų | 60.9 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -31.7 | 168.8 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | R346 L347 | S325-R346 PolarHBondContact N-O 3.16Å; S325-R346 WeakPolarHBondContact OG-CG 3.44Å; S325-R346 PolarHBondContact OG-O 2.85Å; S325-L347 PolarHBondContact OG-O 3.12Å |
| 326 | Q | 97.9 | Very high | 94.3 | Very high | 76 Ų | 76 | 67.1 Ų | 67.1 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 148.3 | -175.9 | -172.5 | -178 | -12.4 | 0 | 0 | 110.7 | V328 R346 | Q326-V328 HydrophobicContact CG-CG2 4.07Å; Q326-R346 HydrophobicContact CB-CB 3.75Å; Q326-R346 PolarHBondContact N-O 3.04Å; Q326-R346 PolarHBondContact O-N 3.19Å |
| 327 | I | 98 | Very high | 94.6 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.9 | 172.1 | -71 | 167.4 | 0 | 0 | 0 | 107.4 | I294 P298 P300 L324 I329 L345 | I294-I327 HydrophobicContact CG2-CD1 3.72Å; I294-I327 HydrophobicContact CG2-CG1 4.25Å; I294-I327 HydrophobicContact CG2-CG2 3.58Å; P298-I327 WeakPolarHBondContact O-CD1 3.09Å; P300-I327 HydrophobicContact CB-CD1 4.21Å; P300-I327 HydrophobicContact CB-CG1 4.36Å; P300-I327 HydrophobicContact CG-CB 4.42Å; P300-I327 HydrophobicContact CG-CD1 3.96Å; P300-I327 HydrophobicContact CG-CG1 4.01Å; L324-I327 HydrophobicContact CD1-CD1 4.04Å; L324-I327 HydrophobicContact CD1-CG1 3.84Å; I327-I329 HydrophobicContact CG2-CD1 4.4Å; I327-I329 HydrophobicContact CG2-CG1 4.12Å; I327-L345 HydrophobicContact CB-CD2 4.41Å; I327-L345 HydrophobicContact CG1-CD2 3.9Å; I327-L345 HydrophobicContact CG2-CD2 4.17Å |
| 328 | V | 98.3 | Very high | 94.9 | Very high | 29 Ų | 29 | 66.2 Ų | 66.2 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 96.7 | 177.8 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | W286 Q326 A343 L344 W479 V483 | W286-V328 HydrophobicContact CH2-CG2 4.27Å; W286-V328 HydrophobicContact CZ3-CG2 4.29Å; Q326-V328 HydrophobicContact CG-CG2 4.07Å; V328-A343 CarbonylContact O-C 3.42Å; V328-A343 WeakPolarHBondContact O-CA 3.38Å; V328-L344 HydrophobicContact CB-CB 4.39Å; V328-L344 PolarHBondContact N-O 3.24Å; V328-L344 PolarHBondContact O-N 3.43Å; V328-W479 HydrophobicContact CG1-CZ2 4.21Å; V328-V483 HydrophobicContact CB-CG1 4.24Å; V328-V483 HydrophobicContact CG1-CG1 4.08Å; V328-V483 HydrophobicContact CG1-CG2 4.23Å; V328-V483 HydrophobicContact CG2-CG1 4.08Å |
| 329 | I | 98.2 | Very high | 95.3 | Very high | 44 Ų | 44 | 65.2 Ų | 65.2 | 23% | 0.226 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.7 | 172 | -66.4 | 162.1 | 0 | 0 | 0 | 108.3 | A291 Q295 P298 I327 Y333 A343 | A291-I329 HydrophobicContact CB-CG2 3.85Å; Q295-I329 HydrophobicContact CB-CD1 3.98Å; Q295-I329 HydrophobicContact CG-CD1 4.39Å; P298-I329 HydrophobicContact CB-CD1 4.31Å; I327-I329 HydrophobicContact CG2-CD1 4.4Å; I327-I329 HydrophobicContact CG2-CG1 4.12Å; I329-Y333 HydrophobicContact CG2-CD1 4.21Å; I329-Y333 HydrophobicContact CG2-CG 4.33Å; I329-A343 HydrophobicContact CG1-CB 4.12Å |
| 330 | H | 98.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 65.5 Ų | 65.5 | 10% | 0.102 | 32% | 0.323 | C | S | . | . | trans | -56.4 | 127.6 | 176 | -173.6 | -82.1 | 0 | 0 | 0 | 111 | S332 Y333 N340 I342 F476 W479 | H330-S332 PolarHBondContact ND1-N 3.31Å; H330-S332 VanDerWaalsContact ND1-N 3.19Å; H330-S332 PolarHBondContact O-N 3.35Å; H330-S332 VanDerWaalsContact O-N 3.11Å; H330-Y333 VanDerWaalsContact O-CB 3.26Å; H330-Y333 WeakPolarHBondContact O-CB 3.39Å; H330-Y333 PolarHBondContact O-N 3.23Å; H330-N340 WeakPolarHBondContact ND1-CB 3.29Å; H330-I342 HydrophobicContact CB-CG2 3.74Å; H330-I342 WeakPolarHBondContact CB-O 3.33Å; H330-I342 PolarHBondContact N-O 2.62Å; H330-F476 AromaticContact CD2-CD1 3.61Å; H330-F476 AromaticContact CD2-CE1 3.66Å; H330-F476 AromaticContact NE2-CD1 3.69Å; H330-F476 AromaticContact NE2-CE1 3.57Å; H330-W479 HydrophobicContact CB-CH2 4.33Å; H330-W479 HydrophobicContact CB-CZ2 3.98Å; H330-W479 AromaticContact CD2-CD1 3.79Å; H330-W479 AromaticContact CD2-CD2 3.55Å; H330-W479 AromaticContact CD2-CE2 3.63Å; H330-W479 AromaticContact CD2-CG 3.64Å; H330-W479 AromaticContact CD2-NE1 3.78Å | ||
| 331 | P | 97.1 | Very high | 95.6 | Very high | 108 Ų | 108 | 63.4 Ų | 63.4 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.4 | -168.9 | 23.7 | -34.5 | 0 | 0 | 0 | 113.6 | ||
| 332 | S | 96.8 | Very high | 95.8 | Very high | 73 Ų | 73 | 57 Ų | 57 | 51% | 0.51 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 18.9 | 175.7 | -41.9 | 0 | 0 | 0 | 0 | 113.9 | H330 N334 N340 | H330-S332 PolarHBondContact ND1-N 3.31Å; H330-S332 VanDerWaalsContact ND1-N 3.19Å; H330-S332 PolarHBondContact O-N 3.35Å; H330-S332 VanDerWaalsContact O-N 3.11Å; S332-N334 PolarHBondContact O-N 3.33Å; S332-N340 PolarHBondContact O-ND2 2.94Å |
| 333 | Y | 97.3 | Very high | 96 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 14% | 0.137 | 29% | 0.287 | C | S | . | . | trans | -61.6 | 126.5 | 175.7 | 172.6 | -119.2 | 0 | 0 | 0 | 111.1 | A291 H292 Q295 I329 H330 K335 A339 N340 D341 | A291-Y333 HydrophobicContact CB-CD1 3.77Å; A291-Y333 HydrophobicContact CB-CD2 3.63Å; A291-Y333 HydrophobicContact CB-CE1 4Å; A291-Y333 HydrophobicContact CB-CE2 3.87Å; A291-Y333 HydrophobicContact CB-CG 3.58Å; H292-Y333 WeakPolarHBondContact CB-OH 3.33Å; Q295-Y333 HydrophobicContact CB-CD1 4.39Å; Q295-Y333 HydrophobicContact CB-CE1 3.98Å; Q295-Y333 HydrophobicContact CG-CD1 4.13Å; Q295-Y333 HydrophobicContact CG-CE1 3.9Å; I329-Y333 HydrophobicContact CG2-CD1 4.21Å; I329-Y333 HydrophobicContact CG2-CG 4.33Å; H330-Y333 VanDerWaalsContact O-CB 3.26Å; H330-Y333 WeakPolarHBondContact O-CB 3.39Å; H330-Y333 PolarHBondContact O-N 3.23Å; Y333-K335 HydrophobicContact CE1-CB 3.88Å; Y333-A339 WeakPolarHBondContact CA-O 3.45Å; Y333-A339 WeakPolarHBondContact CD2-O 3.17Å; Y333-N340 WeakPolarHBondContact CD2-O 3.24Å; Y333-D341 HydrophobicContact CD2-CB 4.2Å; Y333-D341 HydrophobicContact CE2-CB 3.84Å; Y333-D341 WeakPolarHBondContact CE2-OD1 2.98Å | ||
| 334 | N | 95 | Very high | 96.1 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | B | Isolated β-bridge | trans | -117 | 97.6 | -179.9 | -173.8 | -21.3 | 0 | 0 | 0 | 111.2 | S332 K336 I337 Y338 A339 | S332-N334 PolarHBondContact O-N 3.33Å; N334-K336 PolarHBondContact O-N 3.05Å; N334-K336 VanDerWaalsContact O-N 3.07Å; N334-K336 WeakPolarHBondContact OD1-CB 3.46Å; N334-K336 PolarHBondContact OD1-N 2.82Å; N334-I337 HydrophobicContact CB-CG1 4.08Å; N334-I337 PolarHBondContact O-N 3.18Å; N334-Y338 WeakPolarHBondContact O-CA 3.39Å; N334-Y338 PolarHBondContact O-N 3.45Å; N334-A339 HydrophobicContact CB-CB 4.23Å; N334-A339 PolarHBondContact N-O 3.42Å; N334-A339 PolarHBondContact O-N 2.9Å |
| 335 | K | 92.4 | Very high | 96.1 | Very high | 140 Ų | 140 | 50.6 Ų | 50.6 | 61% | 0.609 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -15.5 | 179 | 70 | 176.5 | -175.6 | 175.9 | 0 | 116.1 | Y333 | Y333-K335 HydrophobicContact CE1-CB 3.88Š|
| 336 | K | 89.4 | Confident | 96.2 | Very high | 185 Ų | 185 | 52.3 Ų | 52.3 | 80% | 0.804 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -28.4 | 178.6 | -176.4 | 173.7 | 178.2 | 176.8 | 0 | 112.5 | N334 | N334-K336 PolarHBondContact O-N 3.05Å; N334-K336 VanDerWaalsContact O-N 3.07Å; N334-K336 WeakPolarHBondContact OD1-CB 3.46Å; N334-K336 PolarHBondContact OD1-N 2.82Å |
| 337 | I | 89.9 | Confident | 96.2 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 12.3 | -174.8 | 59.5 | 165.4 | 0 | 0 | 0 | 112.5 | N334 A339 Y415 | N334-I337 HydrophobicContact CB-CG1 4.08Å; N334-I337 PolarHBondContact O-N 3.18Å; I337-A339 HydrophobicContact CD1-CB 3.79Å; I337-A339 HydrophobicContact CG1-CB 3.84Å; I337-A339 PolarHBondContact O-N 3.13Å; I337-Y415 HydrophobicContact CB-CD2 4.2Å |
| 338 | Y | 90.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 53 Ų | 53 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 38.9 | -176 | -58.1 | -88 | 0 | 0 | 0 | 113.5 | H292 N334 W457 | H292-Y338 HydrophobicContact CB-CD1 4.1Å; H292-Y338 HydrophobicContact CB-CE1 4.02Å; N334-Y338 WeakPolarHBondContact O-CA 3.39Å; N334-Y338 PolarHBondContact O-N 3.45Å; Y338-W457 HydrophobicContact CD2-CB 4.36Å; Y338-W457 HydrophobicContact CD2-CG 4.19Å; Y338-W457 HydrophobicContact CG-CB 4.28Å; Y338-W457 AromaticContact CG-CD1 3.85Å; Y338-W457 HydrophobicContact CG-CG 4.13Å |
| 339 | A | 94.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -85.2 | 139.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y333 N334 I337 D341 N417 | Y333-A339 WeakPolarHBondContact CA-O 3.45Å; Y333-A339 WeakPolarHBondContact CD2-O 3.17Å; N334-A339 HydrophobicContact CB-CB 4.23Å; N334-A339 PolarHBondContact N-O 3.42Å; N334-A339 PolarHBondContact O-N 2.9Å; I337-A339 HydrophobicContact CD1-CB 3.79Å; I337-A339 HydrophobicContact CG1-CB 3.84Å; I337-A339 PolarHBondContact O-N 3.13Å; A339-D341 VanDerWaalsContact C-N 3.29Å; A339-D341 PolarHBondContact O-N 3.12Å; A339-N417 WeakPolarHBondContact CB-ND2 3.34Å |
| 340 | N | 96.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 42.9 | -173.8 | -43.5 | -56.3 | 0 | 0 | 0 | 112.6 | H330 S332 Y333 I342 F476 | H330-N340 WeakPolarHBondContact ND1-CB 3.29Å; S332-N340 PolarHBondContact O-ND2 2.94Å; Y333-N340 WeakPolarHBondContact CD2-O 3.24Å; N340-I342 PolarHBondContact O-N 2.8Å; N340-F476 HydrophobicContact CB-CE1 3.96Å; N340-F476 HydrophobicContact CB-CZ 3.95Å; N340-F476 WeakPolarHBondContact OD1-CZ 3.43Å |
| 341 | D | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -77.2 | 73.9 | -178.2 | -173.8 | 29.7 | 0 | 0 | 0 | 111.3 | A291 H292 Y333 A339 S456 T471 | A291-D341 VanDerWaalsContact CA-OD1 3.32Å; A291-D341 WeakPolarHBondContact CA-OD1 3.42Å; A291-D341 WeakPolarHBondContact CB-OD1 3.42Å; A291-D341 PolarHBondContact N-OD1 3.38Å; H292-D341 IonicContact CE1-OD2 3.03Å; H292-D341 IonicContact CG-OD2 3.84Å; H292-D341 PolarHBondContact N-OD1 3.05Å; H292-D341 IonicContact ND1-OD1 3.53Å; H292-D341 IonicContact ND1-OD2 2.79Å; H292-D341 PolarHBondContact ND1-OD2 3.14Å; Y333-D341 HydrophobicContact CD2-CB 4.2Å; Y333-D341 HydrophobicContact CE2-CB 3.84Å; Y333-D341 WeakPolarHBondContact CE2-OD1 2.98Å; A339-D341 VanDerWaalsContact C-N 3.29Å; A339-D341 PolarHBondContact O-N 3.12Å; D341-S456 VanDerWaalsContact CB-OG 3.27Å; D341-S456 WeakPolarHBondContact CB-OG 3.27Å; D341-S456 WeakPolarHBondContact OD2-CA 3.38Å; D341-S456 WeakPolarHBondContact OD2-CB 3.22Å; D341-S456 PolarHBondContact OD2-OG 2.03Å; D341-T471 PolarHBondContact O-OG1 2.91Å | ||
| 342 | I | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -144.4 | 139.9 | 178.8 | -172.3 | 171.6 | 0 | 0 | 0 | 110.9 | M288 T289 H330 N340 I454 T471 F476 W479 | M288-I342 HydrophobicContact CE-CD1 4.14Å; M288-I342 HydrophobicContact CG-CD1 4.13Å; M288-I342 HydrophobicContact CG-CG1 4.22Å; M288-I342 HydrophobicContact SD-CD1 4.03Å; T289-I342 CarbonylContact O-C 3.53Å; T289-I342 WeakPolarHBondContact O-CA 3.28Å; H330-I342 HydrophobicContact CB-CG2 3.74Å; H330-I342 WeakPolarHBondContact CB-O 3.33Å; H330-I342 PolarHBondContact N-O 2.62Å; N340-I342 PolarHBondContact O-N 2.8Å; I342-I454 HydrophobicContact CB-CD1 4.14Å; I342-I454 HydrophobicContact CD1-CD1 3.61Å; I342-I454 HydrophobicContact CG1-CD1 3.57Å; I342-T471 HydrophobicContact CB-CG2 4.21Å; I342-F476 HydrophobicContact CD1-CB 4.07Å; I342-F476 HydrophobicContact CD1-CD2 4.39Å; I342-F476 HydrophobicContact CD1-CG 4.22Å; I342-F476 HydrophobicContact CG2-CD1 3.84Å; I342-F476 HydrophobicContact CG2-CD2 4.33Å; I342-F476 HydrophobicContact CG2-CE1 3.96Å; I342-F476 HydrophobicContact CG2-CE2 4.46Å; I342-F476 HydrophobicContact CG2-CG 4.04Å; I342-F476 HydrophobicContact CG2-CZ 4.28Å; I342-W479 HydrophobicContact CB-CZ3 4.41Å; I342-W479 HydrophobicContact CD1-CE3 4.31Å; I342-W479 HydrophobicContact CD1-CZ3 3.78Å; I342-W479 HydrophobicContact CG1-CH2 4.32Å; I342-W479 HydrophobicContact CG1-CZ3 3.75Å; I342-W479 HydrophobicContact CG2-CE3 4.3Å; I342-W479 HydrophobicContact CG2-CH2 4.25Å; I342-W479 HydrophobicContact CG2-CZ3 3.88Å | ||
| 343 | A | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 151.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | T289 A291 V328 I329 | T289-A343 HydrophobicContact CG2-CB 4.26Å; T289-A343 PolarHBondContact N-O 3.07Å; T289-A343 PolarHBondContact O-N 3.07Å; A291-A343 HydrophobicContact CB-CB 4.47Å; V328-A343 CarbonylContact O-C 3.42Å; V328-A343 WeakPolarHBondContact O-CA 3.38Å; I329-A343 HydrophobicContact CG1-CB 4.12Å |
| 344 | L | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 136.9 | 172.3 | -66 | 173 | 0 | 0 | 0 | 110 | I282 W286 V287 M288 V328 W479 V483 | I282-L344 HydrophobicContact CD1-CD2 3.55Å; W286-L344 HydrophobicContact CE3-CB 3.94Å; W286-L344 HydrophobicContact CZ3-CB 3.92Å; V287-L344 CarbonylContact O-C 3.36Å; V287-L344 WeakPolarHBondContact O-CA 3.16Å; M288-L344 HydrophobicContact CB-CD2 4.12Å; M288-L344 HydrophobicContact CE-CD2 4.35Å; M288-L344 HydrophobicContact CG-CD2 4.37Å; V328-L344 HydrophobicContact CB-CB 4.39Å; V328-L344 PolarHBondContact N-O 3.24Å; V328-L344 PolarHBondContact O-N 3.43Å; L344-W479 HydrophobicContact CB-CH2 4.39Å; L344-W479 HydrophobicContact CD1-CE3 4.48Å; L344-W479 HydrophobicContact CD1-CH2 3.89Å; L344-W479 HydrophobicContact CD1-CZ2 4.44Å; L344-W479 HydrophobicContact CD1-CZ3 3.89Å; L344-W479 HydrophobicContact CG-CH2 3.66Å; L344-W479 HydrophobicContact CG-CZ3 3.79Å; L344-V483 HydrophobicContact CD1-CB 3.72Å; L344-V483 HydrophobicContact CD1-CG1 3.64Å; L344-V483 HydrophobicContact CD1-CG2 4.31Å |
| 345 | L | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.8 | -178.2 | -42.8 | 174.8 | 0 | 0 | 0 | 108.4 | L267 W286 V287 T289 I294 L324 I327 | L267-L345 HydrophobicContact CD1-CD1 4.31Å; L267-L345 HydrophobicContact CD2-CD1 3.35Å; L267-L345 HydrophobicContact CG-CD1 4.49Å; W286-L345 WeakPolarHBondContact CA-O 3.46Å; V287-L345 HydrophobicContact CB-CB 4.24Å; V287-L345 HydrophobicContact CG1-CD1 4.2Å; V287-L345 PolarHBondContact N-O 2.96Å; V287-L345 PolarHBondContact O-N 3.04Å; T289-L345 HydrophobicContact CG2-CD1 3.76Å; T289-L345 HydrophobicContact CG2-CD2 4.27Å; T289-L345 HydrophobicContact CG2-CG 4Å; I294-L345 HydrophobicContact CD1-CD1 4.37Å; I294-L345 HydrophobicContact CD1-CD2 4.38Å; I294-L345 HydrophobicContact CG1-CD2 4.01Å; I294-L345 HydrophobicContact CG2-CD2 4.4Å; L324-L345 HydrophobicContact CD1-CB 3.96Å; L324-L345 HydrophobicContact CD1-CD1 4.13Å; L324-L345 HydrophobicContact CD1-CD2 4.21Å; L324-L345 HydrophobicContact CD1-CG 4.33Å; L324-L345 HydrophobicContact CD2-CB 3.76Å; I327-L345 HydrophobicContact CB-CD2 4.41Å; I327-L345 HydrophobicContact CG1-CD2 3.9Å; I327-L345 HydrophobicContact CG2-CD2 4.17Å |
| 346 | R | 98.5 | Very high | 94 | Very high | 95 Ų | 95 | 60.7 Ų | 60.7 | 36% | 0.358 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.4 | 176.2 | -160.4 | -179.3 | -179.5 | 172.3 | 2.7 | 109.2 | Q285 W286 L324 S325 Q326 | Q285-R346 CarbonylContact O-C 3.41Å; Q285-R346 WeakPolarHBondContact O-CA 3.21Å; W286-R346 HydrophobicContact CD2-CB 4.19Å; W286-R346 HydrophobicContact CD2-CG 4.13Å; W286-R346 HydrophobicContact CE3-CB 3.83Å; W286-R346 HydrophobicContact CE3-CG 4.29Å; W286-R346 HydrophobicContact CH2-CB 3.87Å; W286-R346 HydrophobicContact CH2-CG 4.18Å; W286-R346 HydrophobicContact CZ2-CB 4.21Å; W286-R346 HydrophobicContact CZ2-CG 4.01Å; W286-R346 HydrophobicContact CZ3-CB 3.67Å; W286-R346 HydrophobicContact CZ3-CG 4.32Å; L324-R346 CarbonylContact C-O 3.56Å; L324-R346 WeakPolarHBondContact CA-O 3.4Å; S325-R346 PolarHBondContact N-O 3.16Å; S325-R346 WeakPolarHBondContact OG-CG 3.44Å; S325-R346 PolarHBondContact OG-O 2.85Å; Q326-R346 HydrophobicContact CB-CB 3.75Å; Q326-R346 PolarHBondContact N-O 3.04Å; Q326-R346 PolarHBondContact O-N 3.19Å |
| 347 | L | 98.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 149.3 | 173.1 | -58 | -177.4 | 0 | 0 | 0 | 110.3 | L281 Q285 V287 V305 I322 L324 S325 T349 A351 | L281-L347 HydrophobicContact CD1-CD1 3.95Å; Q285-L347 PolarHBondContact O-N 3.03Å; V287-L347 HydrophobicContact CG2-CD2 4.07Å; V287-L347 HydrophobicContact CG2-CG 4.46Å; V305-L347 HydrophobicContact CB-CD2 3.83Å; V305-L347 HydrophobicContact CG1-CD2 4.17Å; V305-L347 HydrophobicContact CG2-CD2 3.72Å; I322-L347 HydrophobicContact CB-CD2 4.36Å; I322-L347 HydrophobicContact CD1-CD1 4.05Å; I322-L347 HydrophobicContact CG2-CB 3.87Å; I322-L347 HydrophobicContact CG2-CD1 4.46Å; I322-L347 HydrophobicContact CG2-CD2 4.16Å; I322-L347 HydrophobicContact CG2-CG 4.38Å; L324-L347 HydrophobicContact CD2-CD2 4Å; S325-L347 PolarHBondContact OG-O 3.12Å; L347-T349 VanDerWaalsContact CB-O 3.25Å; L347-T349 WeakPolarHBondContact CB-O 3.36Å; L347-A351 HydrophobicContact CD1-CB 4.19Å |
| 348 | Q | 97.9 | Very high | 93.7 | Very high | 117 Ų | 117 | 52.1 Ų | 52.1 | 55% | 0.547 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -73.1 | -33.4 | 175.4 | -173 | 175.9 | 9.3 | 0 | 0 | 111.7 | K323 | K323-Q348 HydrophobicContact CB-CB 4.11Å; K323-Q348 WeakPolarHBondContact O-CB 3.28Å; K323-Q348 PolarHBondContact O-N 3.2Å |
| 349 | T | 97.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 48% | 0.479 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -127.7 | 149.3 | 173.2 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | I322 L347 | I322-T349 WeakPolarHBondContact CG2-OG1 3.39Å; L347-T349 VanDerWaalsContact CB-O 3.25Å; L347-T349 WeakPolarHBondContact CB-O 3.36Å |
| 350 | P | 97.7 | Very high | 93.8 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 141.8 | 170.9 | -19.1 | 30.3 | 0 | 0 | 0 | 111.8 | A284 Q285 | A284-P350 HydrophobicContact CB-CB 4.27Å; A284-P350 CarbonylContact O-C 3.59Å; A284-P350 VanDerWaalsContact O-CA 3.23Å; A284-P350 WeakPolarHBondContact O-CA 3.48Å; Q285-P350 HydrophobicContact CG-CB 3.94Å; Q285-P350 HydrophobicContact CG-CG 3.78Å |
| 351 | A | 96.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 52.9 Ų | 52.9 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 135.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | L281 A284 V307 I322 L347 L353 | L281-A351 HydrophobicContact CD1-CB 4.32Å; L281-A351 HydrophobicContact CD2-CB 3.94Å; A284-A351 PolarHBondContact O-N 3.47Å; V307-A351 HydrophobicContact CG2-CB 4.25Å; I322-A351 HydrophobicContact CD1-CB 3.86Å; L347-A351 HydrophobicContact CD1-CB 4.19Å; A351-L353 PolarHBondContact O-N 3.39Å |
| 352 | N | 95 | Very high | 93.4 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 122.7 | 173.7 | -175.6 | -18.7 | 0 | 0 | 0 | 109.6 | Q320 D354 | Q320-N352 PolarHBondContact NE2-O 2.87Å; N352-D354 PolarHBondContact ND2-OD2 3.42Å; N352-D354 WeakPolarHBondContact OD1-CB 3.26Å; N352-D354 PolarHBondContact OD1-N 3.03Å; N352-D354 PolarHBondContact OD1-OD2 3.43Å; N352-D354 VanDerWaalsContact OD1-OD2 3.07Å |
| 353 | L | 92.5 | Very high | 93.2 | Very high | 56 Ų | 56 | 55.4 Ų | 55.4 | 29% | 0.293 | 27% | 0.272 | S | S | . | . | trans | -97.9 | -1.5 | -179.1 | -55.5 | -177.6 | 0 | 0 | 0 | 113.8 | L281 A284 A351 N355 V358 R359 L360 | L281-L353 HydrophobicContact CD2-CD2 3.98Å; A284-L353 HydrophobicContact CB-CD1 4.34Å; A351-L353 PolarHBondContact O-N 3.39Å; L353-N355 PolarHBondContact O-N 3.26Å; L353-V358 HydrophobicContact CD2-CG1 3.82Å; L353-R359 PolarHBondContact O-NH1 2.88Å; L353-L360 HydrophobicContact CD1-CD1 4.3Å; L353-L360 HydrophobicContact CD1-CD2 4.08Å; L353-L360 HydrophobicContact CD1-CG 4.12Å; L353-L360 HydrophobicContact CD2-CD2 4.1Å | ||
| 354 | D | 87.2 | Confident | 93 | Very high | 138 Ų | 138 | 55.5 Ų | 55.5 | 74% | 0.738 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -63.5 | -34 | 177.6 | -57.6 | -29.4 | 0 | 0 | 0 | 111 | N352 R356 | N352-D354 PolarHBondContact ND2-OD2 3.42Å; N352-D354 WeakPolarHBondContact OD1-CB 3.26Å; N352-D354 PolarHBondContact OD1-N 3.03Å; N352-D354 PolarHBondContact OD1-OD2 3.43Å; N352-D354 VanDerWaalsContact OD1-OD2 3.07Å; D354-R356 PolarHBondContact O-N 3.01Å |
| 355 | N | 78.9 | Confident | 92.6 | Very high | 45 Ų | 45 | 65.9 Ų | 65.9 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -68.5 | 123.8 | 173.1 | 179.6 | 1.5 | 0 | 0 | 0 | 110.9 | E318 L353 Q357 V358 R359 | E318-N355 WeakPolarHBondContact CA-ND2 3.32Å; E318-N355 WeakPolarHBondContact CB-ND2 3.16Å; E318-N355 PolarHBondContact O-ND2 2.91Å; E318-N355 VanDerWaalsContact O-ND2 3.16Å; L353-N355 PolarHBondContact O-N 3.26Å; N355-Q357 PolarHBondContact O-N 3.31Å; N355-Q357 VanDerWaalsContact O-N 3.1Å; N355-Q357 PolarHBondContact OD1-N 3.13Å; N355-V358 HydrophobicContact CB-CG2 4.5Å; N355-V358 PolarHBondContact O-N 3.12Å; N355-R359 PolarHBondContact O-NH1 3.12Å |
| 356 | R | 80 | Confident | 92.2 | Very high | 209 Ų | 209 | 69.5 Ų | 69.5 | 79% | 0.789 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.3 | 177.9 | -62.5 | -171.8 | -175 | -165.7 | 2.7 | 114.2 | D354 V358 | D354-R356 PolarHBondContact O-N 3.01Å; R356-V358 VanDerWaalsContact C-N 3.27Å; R356-V358 PolarHBondContact O-N 3.1Å |
| 357 | Q | 83 | Confident | 91.8 | Very high | 59 Ų | 59 | 67.4 Ų | 67.4 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -2.2 | 177.5 | -57.5 | -172.1 | 65.3 | 0 | 0 | 113.7 | A262 G308 E318 N355 | A262-Q357 WeakPolarHBondContact CA-O 3.27Å; A262-Q357 WeakPolarHBondContact CB-O 3.15Å; G308-Q357 WeakPolarHBondContact CA-O 3.23Å; E318-Q357 HydrophobicContact CB-CB 4.49Å; N355-Q357 PolarHBondContact O-N 3.31Å; N355-Q357 VanDerWaalsContact O-N 3.1Å; N355-Q357 PolarHBondContact OD1-N 3.13Å |
| 358 | V | 90 | Very high | 91.5 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -121.9 | 116.8 | 175 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | A262 L281 V307 L353 N355 R356 | A262-V358 CarbonylContact O-C 3.5Å; A262-V358 VanDerWaalsContact O-CA 3.27Å; A262-V358 WeakPolarHBondContact O-CA 3.45Å; L281-V358 HydrophobicContact CD2-CG1 3.7Å; V307-V358 HydrophobicContact CB-CG1 4.18Å; V307-V358 HydrophobicContact CB-CG2 4.42Å; V307-V358 HydrophobicContact CG2-CG1 4Å; V307-V358 HydrophobicContact CG2-CG2 4.05Å; L353-V358 HydrophobicContact CD2-CG1 3.82Å; N355-V358 HydrophobicContact CB-CG2 4.5Å; N355-V358 PolarHBondContact O-N 3.12Å; R356-V358 VanDerWaalsContact C-N 3.27Å; R356-V358 PolarHBondContact O-N 3.1Å | ||
| 359 | R | 92.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 68.3 Ų | 68.3 | 31% | 0.309 | 33% | 0.334 | S | S | . | . | trans | -137.6 | 171.4 | -178.1 | -66.7 | -69.1 | 174.3 | -107 | 19.2 | 110.7 | A262 F263 L353 N355 | A262-R359 HydrophobicContact CB-CB 3.7Å; A262-R359 HydrophobicContact CB-CG 3.54Å; A262-R359 PolarHBondContact O-N 3.24Å; F263-R359 VanDerWaalsContact CA-O 3.24Å; F263-R359 WeakPolarHBondContact CA-O 3.34Å; F263-R359 VanDerWaalsContact CB-O 3.29Å; F263-R359 WeakPolarHBondContact CB-O 3.38Å; L353-R359 PolarHBondContact O-NH1 2.88Å; N355-R359 PolarHBondContact O-NH1 3.12Å | ||
| 360 | L | 94.5 | Very high | 90.8 | Very high | 64 Ų | 64 | 65.7 Ų | 65.7 | 34% | 0.335 | 32% | 0.319 | S | S | . | . | trans | -95.7 | 143 | 175.9 | -56 | -175.4 | 0 | 0 | 0 | 110.8 | L223 L281 S283 L353 | L223-L360 WeakPolarHBondContact CD1-O 3.38Å; L281-L360 HydrophobicContact CD2-CD2 3.97Å; L281-L360 HydrophobicContact CG-CD2 3.88Å; L281-L360 CarbonylContact O-C 3.27Å; L281-L360 WeakPolarHBondContact O-CA 3.27Å; S283-L360 VanDerWaalsContact C-CD2 3.45Å; L353-L360 HydrophobicContact CD1-CD1 4.3Å; L353-L360 HydrophobicContact CD1-CD2 4.08Å; L353-L360 HydrophobicContact CD1-CG 4.12Å; L353-L360 HydrophobicContact CD2-CD2 4.1Å | ||
| 361 | S | 95.1 | Very high | 90.5 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | trans | -75.4 | 138.7 | 177.9 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | L281 V363 Q451 | L281-S361 PolarHBondContact O-N 3.29Å; S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact O-N 3.27Å; S361-Q451 WeakPolarHBondContact OG-CB 3.46Å; S361-Q451 PolarHBondContact OG-OE1 3.29Å | ||
| 362 | P | 91.4 | Very high | 90.2 | Very high | 29 Ų | 29 | 67.9 Ų | 67.9 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | trans | -77.4 | 73.8 | 178.7 | 34.6 | -38.6 | 0 | 0 | 0 | 111.5 | L223 T449 V450 Q451 | L223-P362 HydrophobicContact CD2-CB 4.04Å; L223-P362 HydrophobicContact CD2-CG 3.54Å; P362-T449 WeakPolarHBondContact CB-O 3.3Å; P362-V450 CarbonylContact O-C 3.47Å; P362-V450 WeakPolarHBondContact O-CA 3.37Å; P362-V450 WeakPolarHBondContact O-CB 3.05Å; P362-Q451 PolarHBondContact O-N 3.01Å | ||
| 363 | V | 94.9 | Very high | 89.9 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 14% | 0.139 | 31% | 0.311 | C | S | . | . | trans | -71 | 137.9 | 179.7 | -68 | 0 | 0 | 0 | 0 | 112.9 | I282 M288 S361 R365 Y480 | I282-V363 HydrophobicContact CB-CG1 4.25Å; I282-V363 HydrophobicContact CG2-CG1 3.53Å; M288-V363 HydrophobicContact CE-CG1 4Å; M288-V363 HydrophobicContact SD-CG1 4.2Å; S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact O-N 3.27Å; V363-R365 PolarHBondContact O-N 2.84Å; V363-R365 VanDerWaalsContact O-N 3.15Å; V363-Y480 HydrophobicContact CG2-CE2 4.09Å | ||
| 364 | P | 93.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | trans | -72.1 | 103.9 | -175.7 | 27.4 | -36.2 | 0 | 0 | 0 | 112.5 | N366 L369 V450 Q451 V473 A474 Y480 | P364-N366 VanDerWaalsContact C-N 3.25Å; P364-N366 PolarHBondContact O-N 2.82Å; P364-L369 HydrophobicContact CB-CB 4.31Å; P364-L369 HydrophobicContact CB-CD1 3.54Å; P364-V450 HydrophobicContact CB-CB 4.43Å; P364-V450 HydrophobicContact CB-CG2 4.43Å; P364-Q451 WeakPolarHBondContact CD-O 3.3Å; P364-V473 HydrophobicContact CG-CB 3.96Å; P364-V473 HydrophobicContact CG-CG1 3.85Å; P364-A474 HydrophobicContact CB-CB 4.01Å; P364-A474 HydrophobicContact CG-CB 3.91Å; P364-Y480 PolarHBondContact O-OH 3.02Å | ||
| 365 | R | 90.8 | Very high | 89.7 | Confident | 218 Ų | 218 | 62.5 Ų | 62.5 | 82% | 0.823 | 30% | 0.3 | S | S | * | . | trans | -74.9 | -4.4 | 178.9 | -61.9 | -176.2 | -176.9 | 169.3 | 0.5 | 115.4 | V363 | V363-R365 PolarHBondContact O-N 2.84Å; V363-R365 VanDerWaalsContact O-N 3.15Å | ||
| 366 | N | 89.6 | Confident | 89.7 | Confident | 76 Ų | 76 | 63.8 Ų | 63.8 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | trans | -122.3 | 118.2 | -178.1 | 177.5 | -1.8 | 0 | 0 | 0 | 109 | P364 H368 L369 | P364-N366 VanDerWaalsContact C-N 3.25Å; P364-N366 PolarHBondContact O-N 2.82Å; N366-H368 PolarHBondContact O-N 3.25Å; N366-H368 WeakPolarHBondContact OD1-CB 3.41Å; N366-H368 PolarHBondContact OD1-CD2 3.33Å; N366-H368 PolarHBondContact OD1-N 2.83Å; N366-L369 HydrophobicContact CB-CD1 4.36Å; N366-L369 HydrophobicContact CB-CG 4.35Å; N366-L369 WeakPolarHBondContact O-CB 3.15Å; N366-L369 WeakPolarHBondContact O-CG 3.23Å; N366-L369 PolarHBondContact O-N 3.3Å | ||
| 367 | P | 91.5 | Very high | 89.7 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 34% | 0.338 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -63.4 | -23.9 | -177.4 | 24.4 | -32.6 | 0 | 0 | 0 | 113.2 | L369 S370 A474 S477 | P367-L369 PolarHBondContact O-N 2.81Å; P367-L369 VanDerWaalsContact O-N 3.12Å; P367-S370 WeakPolarHBondContact O-CB 3.43Å; P367-S370 PolarHBondContact O-N 3.01Å; P367-A474 WeakPolarHBondContact CA-O 3.17Å; P367-S477 WeakPolarHBondContact CD-OG 3.46Å |
| 368 | H | 90.7 | Very high | 89.6 | Confident | 122 Ų | 122 | 55.3 Ų | 55.3 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -64.7 | -12.5 | 174.5 | -66.2 | -54.7 | 0 | 0 | 0 | 114.5 | N366 S370 D371 | N366-H368 PolarHBondContact O-N 3.25Å; N366-H368 WeakPolarHBondContact OD1-CB 3.41Å; N366-H368 PolarHBondContact OD1-CD2 3.33Å; N366-H368 PolarHBondContact OD1-N 2.83Å; H368-S370 PolarHBondContact O-N 3.26Å; H368-D371 IonicContact ND1-OD2 2.68Å; H368-D371 PolarHBondContact ND1-OD2 2.82Å; H368-D371 PolarHBondContact O-N 3.04Å; H368-D371 VanDerWaalsContact O-N 3.09Å |
| 369 | L | 89.9 | Confident | 89.4 | Confident | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -64.5 | -23.5 | 169.5 | -66.1 | 170.6 | 0 | 0 | 0 | 111.7 | P364 N366 P367 D371 L372 V445 A474 | P364-L369 HydrophobicContact CB-CB 4.31Å; P364-L369 HydrophobicContact CB-CD1 3.54Å; N366-L369 HydrophobicContact CB-CD1 4.36Å; N366-L369 HydrophobicContact CB-CG 4.35Å; N366-L369 WeakPolarHBondContact O-CB 3.15Å; N366-L369 WeakPolarHBondContact O-CG 3.23Å; N366-L369 PolarHBondContact O-N 3.3Å; P367-L369 PolarHBondContact O-N 2.81Å; P367-L369 VanDerWaalsContact O-N 3.12Å; L369-D371 VanDerWaalsContact C-N 3.25Å; L369-D371 PolarHBondContact O-N 2.91Å; L369-L372 HydrophobicContact CD2-CD1 4.02Å; L369-L372 PolarHBondContact O-N 2.9Å; L369-V445 HydrophobicContact CD2-CG2 4.5Å; L369-A474 HydrophobicContact CB-CB 4.11Å |
| 370 | S | 92 | Very high | 89 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 17% | 0.168 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -57.9 | -36.5 | 169.1 | 175.2 | 0 | 0 | 0 | 0 | 112.6 | P367 H368 L372 L373 N472 | P367-S370 WeakPolarHBondContact O-CB 3.43Å; P367-S370 PolarHBondContact O-N 3.01Å; H368-S370 PolarHBondContact O-N 3.26Å; S370-L372 PolarHBondContact O-N 3.11Å; S370-L373 PolarHBondContact O-N 3.07Å; S370-N472 PolarHBondContact OG-ND2 3.07Å |
| 371 | D | 91.4 | Very high | 88.8 | Confident | 93 Ų | 93 | 49.5 Ų | 49.5 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -75.3 | -9.6 | -177.6 | -63.8 | -49.3 | 0 | 0 | 0 | 112.3 | H368 L369 | H368-D371 IonicContact ND1-OD2 2.68Å; H368-D371 PolarHBondContact ND1-OD2 2.82Å; H368-D371 PolarHBondContact O-N 3.04Å; H368-D371 VanDerWaalsContact O-N 3.09Å; L369-D371 VanDerWaalsContact C-N 3.25Å; L369-D371 PolarHBondContact O-N 2.91Å |
| 372 | L | 89.5 | Confident | 88.4 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 18% | 0.178 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -98 | -2.4 | 178.3 | -54.1 | -175.6 | 0 | 0 | 0 | 113.2 | L369 S370 T374 V445 | L369-L372 HydrophobicContact CD2-CD1 4.02Å; L369-L372 PolarHBondContact O-N 2.9Å; S370-L372 PolarHBondContact O-N 3.11Å; L372-T374 PolarHBondContact O-N 3.3Å; L372-V445 HydrophobicContact CB-CB 4.13Å; L372-V445 HydrophobicContact CB-CG1 4.35Å |
| 373 | L | 90 | Very high | 88.3 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | trans | -82.1 | 68 | 173.5 | -65.5 | 168.9 | 0 | 0 | 0 | 110 | S370 V403 F421 C443 V445 A452 | S370-L373 PolarHBondContact O-N 3.07Å; L373-V403 HydrophobicContact CD2-CG2 4.35Å; L373-F421 HydrophobicContact CD1-CD1 4.08Å; L373-F421 HydrophobicContact CD1-CE1 3.82Å; L373-F421 HydrophobicContact CD1-CE2 4.5Å; L373-F421 HydrophobicContact CD1-CZ 4.02Å; L373-F421 HydrophobicContact CD2-CE2 4.46Å; L373-F421 HydrophobicContact CD2-CZ 4.39Å; L373-C443 HydrophobicContact CD2-CB 4.14Å; L373-V445 HydrophobicContact CD2-CG1 3.94Å; L373-A452 HydrophobicContact CD1-CB 4.13Å; L373-A452 HydrophobicContact CD2-CB 3.71Å | ||
| 374 | T | 88.5 | Confident | 87.9 | Confident | 77 Ų | 77 | 46.7 Ų | 46.7 | 47% | 0.472 | 24% | 0.235 | S | C | . | . | trans | -93.4 | 170.5 | -179.8 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | L372 V377 V403 | L372-T374 PolarHBondContact O-N 3.3Å; T374-V377 WeakPolarHBondContact O-CB 3.36Å; T374-V377 VanDerWaalsContact O-CG2 3.32Å; T374-V377 WeakPolarHBondContact O-CG2 3.26Å; T374-V377 PolarHBondContact O-N 3.16Å; T374-V403 WeakPolarHBondContact O-CB 2.96Å; T374-V403 VanDerWaalsContact O-CG1 3.31Å; T374-V403 WeakPolarHBondContact O-CG1 3.19Å | ||
| 375 | D | 86.3 | Confident | 86.8 | Confident | 60 Ų | 60 | 46.6 Ų | 46.6 | 32% | 0.321 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 141.6 | 177.4 | -158 | 36.6 | 0 | 0 | 0 | 111.9 | V377 V403 N405 | D375-V377 PolarHBondContact O-N 3.09Å; D375-V403 CarbonylContact C-O 3.51Å; D375-N405 HydrophobicContact CB-CB 3.89Å; D375-N405 WeakPolarHBondContact OD1-CB 3.39Å; D375-N405 PolarHBondContact OD1-N 2.79Å |
| 376 | N | 79.2 | Confident | 85.1 | Confident | 71 Ų | 71 | 38.8 Ų | 38.8 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 9 | -179.1 | -67 | -17.8 | 0 | 0 | 0 | 117.4 | Q378 V403 | N376-Q378 PolarHBondContact O-N 3.13Å; N376-Q378 PolarHBondContact O-NE2 2.83Å; N376-V403 PolarHBondContact N-O 2.81Å |
| 377 | V | 80.8 | Confident | 83.3 | Confident | 23 Ų | 23 | 35.7 Ų | 35.7 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | trans | -59.9 | 119.9 | 167.1 | 168 | 0 | 0 | 0 | 0 | 108.9 | T374 D375 P402 V403 C443 V445 | T374-V377 WeakPolarHBondContact O-CB 3.36Å; T374-V377 VanDerWaalsContact O-CG2 3.32Å; T374-V377 WeakPolarHBondContact O-CG2 3.26Å; T374-V377 PolarHBondContact O-N 3.16Å; D375-V377 PolarHBondContact O-N 3.09Å; V377-P402 CarbonylContact O-C 3.56Å; V377-P402 WeakPolarHBondContact O-CA 3.33Å; V377-V403 HydrophobicContact CB-CB 4.09Å; V377-V403 HydrophobicContact CB-CG2 3.89Å; V377-V403 HydrophobicContact CG1-CG2 4.16Å; V377-V403 PolarHBondContact O-N 2.9Å; V377-C443 HydrophobicContact CG1-CB 4.23Å; V377-V445 HydrophobicContact CG1-CG1 3.67Å | ||
| 378 | Q | 79.3 | Confident | 81.1 | Confident | 67 Ų | 67 | 37.2 Ų | 37.2 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 131.4 | 179.8 | -59.1 | -53.6 | -52.6 | 0 | 0 | 110.5 | N376 | N376-Q378 PolarHBondContact O-N 3.13Å; N376-Q378 PolarHBondContact O-NE2 2.83Å |
| 379 | C | 86.1 | Confident | 79 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 157.5 | 175.2 | -55.6 | 0 | 0 | 0 | 0 | 110 | V400 L401 V403 L441 L442 C443 | C379-V400 CarbonylContact O-C 3.6Å; C379-V400 VanDerWaalsContact O-CA 3.31Å; C379-V400 WeakPolarHBondContact O-CA 3.41Å; C379-L401 WeakPolarHBondContact CB-O 3.43Å; C379-L401 PolarHBondContact N-O 3.49Å; C379-L401 PolarHBondContact O-N 2.77Å; C379-V403 WeakPolarHBondContact SG-CG2 3.23Å; C379-L441 HydrophobicContact CB-CD1 3.67Å; C379-L441 HydrophobicContact CB-CD2 4.09Å; C379-L441 HydrophobicContact CB-CG 3.81Å; C379-L442 CarbonylContact C-O 3.6Å; C379-L442 WeakPolarHBondContact CA-O 3.35Å; C379-L442 WeakPolarHBondContact CB-O 3.44Å; C379-C443 HydrophobicContact CB-CB 4.04Å; C379-C443 WeakPolarHBondContact CB-SG 3.26Å; C379-C443 WeakPolarHBondContact SG-CB 3.32Å; C379-C443 CovalentContact SG-SG 2.03Å; C379-C443 PolarHBondContact SG-SG 3.17Å |
| 380 | M | 85.2 | Confident | 76.5 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 136.5 | 171.5 | -159.4 | -177.1 | 7.4 | 0 | 0 | 109.5 | G209 W261 Q398 A399 V400 L441 L442 | G209-M380 WeakPolarHBondContact CA-SD 3.19Å; W261-M380 HydrophobicContact CH2-CB 4.15Å; W261-M380 HydrophobicContact CH2-CG 4.29Å; W261-M380 WeakPolarHBondContact CH2-O 3.4Å; W261-M380 HydrophobicContact CZ2-CB 3.99Å; W261-M380 HydrophobicContact CZ2-CE 3.73Å; W261-M380 HydrophobicContact CZ2-CG 3.68Å; W261-M380 HydrophobicContact CZ2-SD 3.63Å; M380-Q398 HydrophobicContact CG-CB 4.32Å; M380-Q398 HydrophobicContact SD-CB 3.96Å; M380-Q398 HydrophobicContact SD-CG 3.92Å; M380-A399 CarbonylContact C-O 3.57Å; M380-A399 VanDerWaalsContact CA-O 3.3Å; M380-A399 WeakPolarHBondContact CA-O 3.05Å; M380-A399 WeakPolarHBondContact CG-O 3.18Å; M380-V400 HydrophobicContact CG-CG2 4.28Å; M380-L441 CarbonylContact O-C 3.5Å; M380-L441 WeakPolarHBondContact O-CA 3.29Å; M380-L442 PolarHBondContact N-O 2.83Å; M380-L442 PolarHBondContact O-N 2.73Å |
| 381 | V | 88.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 151.9 | 172.5 | 67.8 | 0 | 0 | 0 | 0 | 109.6 | V250 Q398 A399 L401 A432 L441 V455 Y470 | V250-V381 HydrophobicContact CG1-CG1 4.37Å; V381-Q398 CarbonylContact O-C 3.58Å; V381-Q398 WeakPolarHBondContact O-CA 3.42Å; V381-Q398 WeakPolarHBondContact O-CB 3.43Å; V381-A399 HydrophobicContact CG1-CB 4.04Å; V381-A399 PolarHBondContact N-O 3.19Å; V381-A399 PolarHBondContact O-N 2.71Å; V381-L401 HydrophobicContact CB-CD1 4.26Å; V381-L401 HydrophobicContact CG1-CD1 3.66Å; V381-L401 HydrophobicContact CG1-CG 4.22Å; V381-A432 HydrophobicContact CG1-CB 4.13Å; V381-A432 HydrophobicContact CG2-CB 3.8Å; V381-L441 HydrophobicContact CB-CD1 3.74Å; V381-L441 HydrophobicContact CG2-CD1 4.43Å; V381-V455 HydrophobicContact CG2-CG2 3.65Å; V381-Y470 HydrophobicContact CG2-CE1 4.17Å |
| 382 | A | 86.8 | Confident | 72.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 153.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | W261 I264 L396 R397 Q398 | W261-A382 HydrophobicContact CD2-CB 3.4Å; W261-A382 HydrophobicContact CE3-CB 3.74Å; W261-A382 HydrophobicContact CG-CB 3.86Å; W261-A382 HydrophobicContact CH2-CB 4.01Å; W261-A382 HydrophobicContact CZ2-CB 3.68Å; W261-A382 HydrophobicContact CZ3-CB 4.01Å; I264-A382 HydrophobicContact CD1-CB 4.23Å; I264-A382 WeakPolarHBondContact CD1-O 3.43Å; A382-L396 HydrophobicContact CB-CD1 4.31Å; A382-R397 WeakPolarHBondContact CA-O 3.31Å; A382-R397 VanDerWaalsContact CB-O 3.29Å; A382-R397 WeakPolarHBondContact CB-O 3.27Å; A382-Q398 HydrophobicContact CB-CB 4.11Å |
| 383 | G | 89.5 | Confident | 71.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -171.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R397 D436 | G383-R397 PolarHBondContact N-O 2.74Å; G383-R397 VanDerWaalsContact N-O 3.13Å; G383-R397 PolarHBondContact O-N 3.23Å; G383-D436 VanDerWaalsContact CA-OD1 3.24Å; G383-D436 WeakPolarHBondContact CA-OD1 3.23Å |
| 384 | W | 86.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -134.8 | 18.8 | -179.3 | -49.2 | -92.3 | 0 | 0 | 0 | 114.7 | R249 I264 H275 A278 R309 Y310 R312 L396 D436 | R249-W384 PolarHBondContact NH2-O 3.14Å; I264-W384 HydrophobicContact CD1-CH2 4.46Å; I264-W384 HydrophobicContact CD1-CZ3 4.13Å; I264-W384 HydrophobicContact CG1-CH2 4.27Å; I264-W384 HydrophobicContact CG1-CZ3 4.09Å; I264-W384 HydrophobicContact CG2-CH2 3.72Å; I264-W384 HydrophobicContact CG2-CZ2 4.19Å; I264-W384 HydrophobicContact CG2-CZ3 4.37Å; H275-W384 AromaticContact CE1-CE3 3.55Å; H275-W384 AromaticContact NE2-CE3 3.95Å; A278-W384 HydrophobicContact CB-CZ3 4.49Å; R309-W384 HydrophobicContact CB-CZ2 4.32Å; R309-W384 WeakPolarHBondContact O-CZ2 3.1Å; Y310-W384 PolarHBondContact O-NE1 3.34Å; R312-W384 HydrophobicContact CB-CB 4.19Å; R312-W384 HydrophobicContact CB-CG 4.29Å; R312-W384 VanDerWaalsContact CD-O 3.31Å; R312-W384 WeakPolarHBondContact CD-O 3.3Å; R312-W384 HydrophobicContact CG-CB 3.89Å; R312-W384 HydrophobicContact CG-CG 4.42Å; R312-W384 PolarHBondContact NE-O 3.05Å; W384-L396 HydrophobicContact CD2-CD1 3.94Å; W384-L396 HydrophobicContact CE3-CD1 4.43Å; W384-L396 HydrophobicContact CG-CD1 4.37Å; W384-L396 HydrophobicContact CH2-CD1 4.45Å; W384-L396 HydrophobicContact CZ2-CD1 3.9Å; W384-D436 PolarHBondContact N-OD1 2.84Å | ||
| 385 | G | 70.8 | Confident | 70.2 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | trans | -72.2 | 142.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R249 Q434 G435 D436 | R249-G385 VanDerWaalsContact CA-O 3.29Å; R249-G385 WeakPolarHBondContact CA-O 3.1Å; R249-G385 WeakPolarHBondContact CD-O 3.5Å; R249-G385 WeakPolarHBondContact CG-O 3.15Å; R249-G385 VanDerWaalsContact CZ-O 3.26Å; R249-G385 PolarHBondContact NE-O 3.05Å; R249-G385 PolarHBondContact NH2-O 2.67Å; G385-Q434 CarbonylContact C-O 3.58Å; G385-Q434 VanDerWaalsContact C-O 3.27Å; G385-Q434 WeakPolarHBondContact CA-O 3.45Å; G385-G435 VanDerWaalsContact CA-CA 3.49Å; G385-D436 PolarHBondContact N-OD1 3.09Å | ||
| 386 | D | 55.9 | Low | 70 | Confident | 54 Ų | 54 | 36.6 Ų | 36.6 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | trans | -82 | 155.1 | -148.9 | 128.7 | 49.8 | 0 | 0 | 0 | 121.6 | G248 R249 R312 N393 Q434 | G248-D386 CarbonylContact C-O 3.56Å; G248-D386 WeakPolarHBondContact CA-O 3.43Å; R249-D386 WeakPolarHBondContact CA-O 3.03Å; R249-D386 VanDerWaalsContact CB-O 3.32Å; R249-D386 WeakPolarHBondContact CB-O 2.99Å; R249-D386 HydrophobicContact CG-CB 4.45Å; R249-D386 PolarHBondContact N-O 3.35Å; R312-D386 IonicContact CZ-OD2 2.98Å; R312-D386 IonicContact NE-OD2 2.6Å; R312-D386 PolarHBondContact NE-OD2 2.95Å; R312-D386 IonicContact NH1-OD2 3.88Å; R312-D386 IonicContact NH2-OD2 3.66Å; D386-N393 VanDerWaalsContact CB-OD1 3.26Å; D386-N393 WeakPolarHBondContact CB-OD1 3.26Å; D386-N393 PolarHBondContact OD1-ND2 2.02Å; D386-N393 PolarHBondContact OD1-OD1 3.29Å; D386-Q434 PolarHBondContact N-O 3.05Å | ||
| 387 | T | 50.7 | Low | 70 | Confident | 10 Ų | 10 | 34.1 Ų | 34.1 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | trans | -68.8 | -35.9 | -135.4 | 20.2 | 0 | 0 | 0 | 0 | 130.8 | R249 N389 G391 N393 | R249-T387 WeakPolarHBondContact CB-O 3.34Å; R249-T387 VanDerWaalsContact CG-CA 3.44Å; R249-T387 HydrophobicContact CG-CG2 3.78Å; T387-N389 PolarHBondContact O-N 3.42Å; T387-G391 WeakPolarHBondContact CG2-O 3.49Å; T387-N393 WeakPolarHBondContact CB-OD1 3.46Å; T387-N393 WeakPolarHBondContact CG2-OD1 3.44Å; T387-N393 PolarHBondContact N-OD1 3.25Å; T387-N393 PolarHBondContact OG1-ND2 3.13Å; T387-N393 PolarHBondContact OG1-OD1 2.81Å | ||
| 388 | H | 45.9 | Very low | 70 | Confident | 84 Ų | 84 | 33.1 Ų | 33.1 | 39% | 0.389 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 24.8 | -149 | -70.4 | -68.5 | 0 | 0 | 0 | 115.2 | W247 G248 T390 | W247-H388 PolarHBondContact O-CE1 3.47Å; W247-H388 PolarHBondContact O-NE2 3.22Å; W247-H388 VanDerWaalsContact O-NE2 3.17Å; G248-H388 PolarHBondContact O-CD2 3.16Å; G248-H388 PolarHBondContact O-NE2 3.03Å; H388-T390 PolarHBondContact O-N 2.84Å; H388-T390 VanDerWaalsContact O-N 3.1Å |
| 389 | N | 45.6 | Very low | 69.8 | Low | 155 Ų | 155 | 30.1 Ų | 30.1 | 83% | 0.829 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 9.3 | 178.4 | -53.8 | -44.2 | 0 | 0 | 0 | 117.5 | T387 G391 | T387-N389 PolarHBondContact O-N 3.42Å; N389-G391 VanDerWaalsContact C-N 3.26Å; N389-G391 PolarHBondContact O-N 3.16Å |
| 390 | T | 38.6 | Very low | 69.4 | Low | 51 Ų | 51 | 30.5 Ų | 30.5 | 31% | 0.313 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -80.3 | 6.1 | -178.7 | 69.9 | 0 | 0 | 0 | 0 | 114.7 | V251 N252 H388 | V251-T390 HydrophobicContact CG1-CG2 4.1Å; N252-T390 PolarHBondContact N-OG1 2.94Å; N252-T390 VanDerWaalsContact N-OG1 3.12Å; N252-T390 WeakPolarHBondContact OD1-CB 3.31Å; N252-T390 WeakPolarHBondContact OD1-CG2 3.47Å; H388-T390 PolarHBondContact O-N 2.84Å; H388-T390 VanDerWaalsContact O-N 3.1Å |
| 391 | G | 46.2 | Very low | 69.2 | Low | 30 Ų | 30 | 29.5 Ų | 29.5 | 31% | 0.309 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 179.1 | -176.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T387 N389 | T387-G391 WeakPolarHBondContact CG2-O 3.49Å; N389-G391 VanDerWaalsContact C-N 3.26Å; N389-G391 PolarHBondContact O-N 3.16Å |
| 392 | S | 55.5 | Low | 68.8 | Low | 69 Ų | 69 | 30 Ų | 30 | 48% | 0.483 | 17% | 0.173 | S | C | . | . | trans | -79.1 | 141.1 | 174.9 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | R249 R397 | R249-S392 PolarHBondContact NH1-O 2.91Å; S392-R397 PolarHBondContact O-NH1 2.8Å | ||
| 393 | N | 62 | Low | 68.9 | Low | 42 Ų | 42 | 30 Ų | 30 | 23% | 0.225 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -87.9 | -17.1 | -175 | -81.8 | -25.6 | 0 | 0 | 0 | 115.6 | R249 R312 D386 T387 | R249-N393 PolarHBondContact NH1-OD1 3.05Å; R312-N393 WeakPolarHBondContact CD-O 3.39Å; D386-N393 VanDerWaalsContact CB-OD1 3.26Å; D386-N393 WeakPolarHBondContact CB-OD1 3.26Å; D386-N393 PolarHBondContact OD1-ND2 2.02Å; D386-N393 PolarHBondContact OD1-OD1 3.29Å; T387-N393 WeakPolarHBondContact CB-OD1 3.46Å; T387-N393 WeakPolarHBondContact CG2-OD1 3.44Å; T387-N393 PolarHBondContact N-OD1 3.25Å; T387-N393 PolarHBondContact OG1-ND2 3.13Å; T387-N393 PolarHBondContact OG1-OD1 2.81Å |
| 394 | D | 72.9 | Confident | 68.8 | Low | 58 Ų | 58 | 30.2 Ų | 30.2 | 31% | 0.31 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -86 | -9 | -167.5 | -78 | -55.5 | 0 | 0 | 0 | 114.7 | Y311 R312 N313 | Y311-D394 CarbonylContact C-O 3.24Å; Y311-D394 WeakPolarHBondContact CA-O 3.08Å; Y311-D394 WeakPolarHBondContact CB-O 3.32Å; Y311-D394 WeakPolarHBondContact CD1-O 3.31Å; R312-D394 PolarHBondContact N-O 3.06Å; N313-D394 PolarHBondContact ND2-OD1 3.22Å |
| 395 | V | 81.1 | Confident | 69 | Low | 23 Ų | 23 | 33.2 Ų | 33.2 | 14% | 0.139 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -117.6 | 156.5 | -178 | -63 | 0 | 0 | 0 | 0 | 112.1 | P255 Y310 Y311 | P255-V395 HydrophobicContact CB-CG2 4.26Å; Y310-V395 HydrophobicContact CD1-CG1 4.25Å; Y310-V395 HydrophobicContact CE1-CB 3.82Å; Y310-V395 HydrophobicContact CE1-CG1 3.55Å; Y311-V395 HydrophobicContact CD1-CG1 3.76Å; Y311-V395 HydrophobicContact CE1-CG1 3.7Å |
| 396 | L | 83.3 | Confident | 70 | Confident | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | trans | -58.8 | 135.5 | 167.7 | -177.1 | 70.4 | 0 | 0 | 0 | 110 | A256 W261 I264 Y310 A382 W384 | A256-L396 HydrophobicContact CB-CB 4.26Å; A256-L396 HydrophobicContact CB-CD2 3.84Å; A256-L396 HydrophobicContact CB-CG 3.88Å; A256-L396 PolarHBondContact N-O 3.21Å; W261-L396 HydrophobicContact CB-CD2 3.73Å; W261-L396 HydrophobicContact CG-CD2 4.01Å; I264-L396 HydrophobicContact CD1-CD1 3.9Å; I264-L396 HydrophobicContact CG2-CD1 4.22Å; I264-L396 HydrophobicContact CG2-CD2 4.08Å; Y310-L396 HydrophobicContact CD2-CB 4.17Å; Y310-L396 HydrophobicContact CE2-CB 4.22Å; Y310-L396 PolarHBondContact O-N 2.78Å; A382-L396 HydrophobicContact CB-CD1 4.31Å; W384-L396 HydrophobicContact CD2-CD1 3.94Å; W384-L396 HydrophobicContact CE3-CD1 4.43Å; W384-L396 HydrophobicContact CG-CD1 4.37Å; W384-L396 HydrophobicContact CH2-CD1 4.45Å; W384-L396 HydrophobicContact CZ2-CD1 3.9Å | ||
| 397 | R | 78.4 | Confident | 71.8 | Confident | 19 Ų | 19 | 35.2 Ų | 35.2 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 156.9 | 174.6 | -59.3 | -171.8 | 82.7 | 88.4 | -1.2 | 111.1 | G253 Q254 A382 G383 S392 | G253-R397 PolarHBondContact O-NE 2.7Å; G253-R397 PolarHBondContact O-NH2 3.01Å; Q254-R397 CarbonylContact O-C 3.11Å; Q254-R397 WeakPolarHBondContact O-CA 3.48Å; Q254-R397 VanDerWaalsContact O-CB 3.31Å; Q254-R397 WeakPolarHBondContact O-CB 3.29Å; A382-R397 WeakPolarHBondContact CA-O 3.31Å; A382-R397 VanDerWaalsContact CB-O 3.29Å; A382-R397 WeakPolarHBondContact CB-O 3.27Å; G383-R397 PolarHBondContact N-O 2.74Å; G383-R397 VanDerWaalsContact N-O 3.13Å; G383-R397 PolarHBondContact O-N 3.23Å; S392-R397 PolarHBondContact O-NH1 2.8Å |
| 398 | Q | 81.5 | Confident | 73.6 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.9 | 177.2 | 68.1 | -162.6 | 24.6 | 0 | 0 | 112.1 | G209 G253 Q254 A256 W261 M380 V381 A382 | G209-Q398 VanDerWaalsContact C-NE2 3.26Å; G209-Q398 VanDerWaalsContact CA-NE2 3.31Å; G209-Q398 PolarHBondContact O-NE2 2.87Å; G253-Q398 CarbonylContact C-O 3.49Å; G253-Q398 VanDerWaalsContact CA-O 3.28Å; G253-Q398 WeakPolarHBondContact CA-O 3.35Å; Q254-Q398 HydrophobicContact CG-CG 4.17Å; Q254-Q398 PolarHBondContact N-O 3.16Å; Q254-Q398 PolarHBondContact O-N 3.12Å; A256-Q398 HydrophobicContact CB-CB 4.31Å; A256-Q398 HydrophobicContact CB-CG 4.13Å; W261-Q398 VanDerWaalsContact CD1-OE1 3.3Å; W261-Q398 HydrophobicContact CZ2-CB 4.4Å; M380-Q398 HydrophobicContact CG-CB 4.32Å; M380-Q398 HydrophobicContact SD-CB 3.96Å; M380-Q398 HydrophobicContact SD-CG 3.92Å; V381-Q398 CarbonylContact O-C 3.58Å; V381-Q398 WeakPolarHBondContact O-CA 3.42Å; V381-Q398 WeakPolarHBondContact O-CB 3.43Å; A382-Q398 HydrophobicContact CB-CB 4.11Å |
| 399 | A | 74.2 | Confident | 75.7 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 144.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V250 M380 V381 I430 | V250-A399 HydrophobicContact CG1-CB 3.57Å; M380-A399 CarbonylContact C-O 3.57Å; M380-A399 VanDerWaalsContact CA-O 3.3Å; M380-A399 WeakPolarHBondContact CA-O 3.05Å; M380-A399 WeakPolarHBondContact CG-O 3.18Å; V381-A399 HydrophobicContact CG1-CB 4.04Å; V381-A399 PolarHBondContact N-O 3.19Å; V381-A399 PolarHBondContact O-N 2.71Å; A399-I430 HydrophobicContact CB-CG2 3.73Å |
| 400 | V | 77.4 | Confident | 78 | Confident | 12 Ų | 12 | 27.7 Ų | 27.7 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 123.7 | 173 | 177.6 | 0 | 0 | 0 | 0 | 110 | D208 F210 C379 M380 Y425 | D208-V400 WeakPolarHBondContact O-CG2 3.36Å; F210-V400 HydrophobicContact CE2-CG2 3.77Å; C379-V400 CarbonylContact O-C 3.6Å; C379-V400 VanDerWaalsContact O-CA 3.31Å; C379-V400 WeakPolarHBondContact O-CA 3.41Å; M380-V400 HydrophobicContact CG-CG2 4.28Å; V400-Y425 VanDerWaalsContact O-CE2 3.32Å; V400-Y425 WeakPolarHBondContact O-CE2 3.38Å; V400-Y425 PolarHBondContact O-OH 2.91Å |
| 401 | L | 81.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.5 | -176.2 | -57.1 | 179.9 | 0 | 0 | 0 | 109.2 | C379 V381 A423 Y425 I430 Y470 | C379-L401 WeakPolarHBondContact CB-O 3.43Å; C379-L401 PolarHBondContact N-O 3.49Å; C379-L401 PolarHBondContact O-N 2.77Å; V381-L401 HydrophobicContact CB-CD1 4.26Å; V381-L401 HydrophobicContact CG1-CD1 3.66Å; V381-L401 HydrophobicContact CG1-CG 4.22Å; L401-A423 HydrophobicContact CB-CB 4.09Å; L401-Y425 HydrophobicContact CD2-CD2 4.41Å; L401-Y425 HydrophobicContact CD2-CE2 4.14Å; L401-I430 HydrophobicContact CD2-CB 4.16Å; L401-I430 HydrophobicContact CD2-CG2 3.81Å; L401-Y470 WeakPolarHBondContact CD1-OH 3.48Å |
| 402 | P | 81.7 | Confident | 82.5 | Confident | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 140.8 | 171.3 | 27.9 | -31.5 | 0 | 0 | 0 | 110.5 | V377 I404 A423 G424 Y425 | V377-P402 CarbonylContact O-C 3.56Å; V377-P402 WeakPolarHBondContact O-CA 3.33Å; P402-I404 PolarHBondContact O-N 3.47Å; P402-A423 CarbonylContact O-C 3.55Å; P402-A423 WeakPolarHBondContact O-CA 3.31Å; P402-G424 WeakPolarHBondContact CG-O 3.26Å; P402-G424 PolarHBondContact O-N 2.65Å; P402-Y425 VanDerWaalsContact CD-CZ 3.48Å; P402-Y425 HydrophobicContact CG-CD1 4.12Å; P402-Y425 HydrophobicContact CG-CE1 3.9Å |
| 403 | V | 88.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 132.2 | 164.1 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | L373 T374 D375 N376 V377 C379 F421 | L373-V403 HydrophobicContact CD2-CG2 4.35Å; T374-V403 WeakPolarHBondContact O-CB 2.96Å; T374-V403 VanDerWaalsContact O-CG1 3.31Å; T374-V403 WeakPolarHBondContact O-CG1 3.19Å; D375-V403 CarbonylContact C-O 3.51Å; N376-V403 PolarHBondContact N-O 2.81Å; V377-V403 HydrophobicContact CB-CB 4.09Å; V377-V403 HydrophobicContact CB-CG2 3.89Å; V377-V403 HydrophobicContact CG1-CG2 4.16Å; V377-V403 PolarHBondContact O-N 2.9Å; C379-V403 WeakPolarHBondContact SG-CG2 3.23Å; V403-F421 HydrophobicContact CG1-CD2 4.18Å; V403-F421 HydrophobicContact CG2-CD2 4.21Å; V403-F421 HydrophobicContact CG2-CE2 3.97Å |
| 404 | I | 87.4 | Confident | 85.4 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 136.8 | 175.1 | -62.7 | 169.6 | 0 | 0 | 0 | 108.5 | P402 Y406 L408 C409 W412 C422 G424 P467 | P402-I404 PolarHBondContact O-N 3.47Å; I404-Y406 PolarHBondContact O-N 2.9Å; I404-Y406 VanDerWaalsContact O-N 3.13Å; I404-L408 HydrophobicContact CG2-CB 4.44Å; I404-L408 HydrophobicContact CG2-CD2 4.13Å; I404-L408 HydrophobicContact CG2-CG 4.38Å; I404-C409 HydrophobicContact CG2-CB 4.21Å; I404-W412 HydrophobicContact CD1-CZ3 4.18Å; I404-W412 HydrophobicContact CG2-CZ3 4.32Å; I404-C422 HydrophobicContact CB-CB 4.34Å; I404-C422 PolarHBondContact N-O 2.83Å; I404-G424 VanDerWaalsContact CD1-O 3.31Å; I404-G424 WeakPolarHBondContact CD1-O 3.44Å; I404-G424 VanDerWaalsContact CG1-O 3.3Å; I404-G424 WeakPolarHBondContact CG1-O 3.32Å; I404-P467 HydrophobicContact CD1-CB 3.4Å; I404-P467 VanDerWaalsContact CD1-CB 3.4Å; I404-P467 HydrophobicContact CD1-CG 3.58Å |
| 405 | N | 89.6 | Confident | 86.1 | Confident | 63 Ų | 63 | 25.5 Ų | 25.5 | 34% | 0.337 | 12% | 0.124 | S | C | . | . | trans | -40.3 | 120.6 | 171.3 | -179.9 | -80 | 0 | 0 | 0 | 111.1 | D375 D407 L408 C409 | D375-N405 HydrophobicContact CB-CB 3.89Å; D375-N405 WeakPolarHBondContact OD1-CB 3.39Å; D375-N405 PolarHBondContact OD1-N 2.79Å; N405-D407 PolarHBondContact O-N 2.87Å; N405-D407 VanDerWaalsContact O-N 3.14Å; N405-D407 PolarHBondContact OD1-N 2.92Å; N405-L408 HydrophobicContact CB-CB 4.01Å; N405-L408 WeakPolarHBondContact O-CB 3.25Å; N405-L408 PolarHBondContact O-N 2.96Å; N405-L408 VanDerWaalsContact O-N 3.12Å; N405-L408 PolarHBondContact OD1-N 2.95Å; N405-C409 PolarHBondContact O-N 2.67Å | ||
| 406 | Y | 92.8 | Very high | 86.6 | Confident | 65 Ų | 65 | 24.4 Ų | 24.4 | 26% | 0.255 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -54.6 | -38.9 | -173.3 | 177.2 | -85.9 | 0 | 0 | 0 | 112.5 | I404 C409 K410 L416 N417 K418 | I404-Y406 PolarHBondContact O-N 2.9Å; I404-Y406 VanDerWaalsContact O-N 3.13Å; Y406-C409 PolarHBondContact O-N 3.29Å; Y406-K410 HydrophobicContact CD1-CB 4.44Å; Y406-K410 HydrophobicContact CE1-CB 4.21Å; Y406-K410 HydrophobicContact CE1-CG 4.32Å; Y406-K410 WeakPolarHBondContact O-CB 3.45Å; Y406-K410 PolarHBondContact O-N 3.12Å; Y406-L416 HydrophobicContact CD2-CD2 4.13Å; Y406-L416 HydrophobicContact CE2-CD2 3.93Å; Y406-L416 HydrophobicContact CE2-CG 4.07Å; Y406-L416 PolarHBondContact OH-O 2.99Å; Y406-N417 WeakPolarHBondContact OH-CA 3.35Å; Y406-K418 PolarHBondContact OH-N 3.3Å |
| 407 | D | 92.6 | Very high | 87 | Confident | 32 Ų | 32 | 26 Ų | 26 | 17% | 0.171 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -78.1 | -31.8 | -176.5 | -69.2 | -55.3 | 0 | 0 | 0 | 113 | R235 Q236 K237 N405 S411 | R235-D407 WeakPolarHBondContact CA-OD2 2.92Å; R235-D407 PolarHBondContact N-OD2 3.16Å; Q236-D407 WeakPolarHBondContact CA-OD1 2.87Å; Q236-D407 PolarHBondContact N-OD2 3.42Å; K237-D407 PolarHBondContact N-OD1 2.97Å; N405-D407 PolarHBondContact O-N 2.87Å; N405-D407 VanDerWaalsContact O-N 3.14Å; N405-D407 PolarHBondContact OD1-N 2.92Å; D407-S411 PolarHBondContact O-N 2.8Å |
| 408 | L | 89 | Confident | 87.6 | Confident | 51 Ų | 51 | 32.4 Ų | 32.4 | 27% | 0.267 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.1 | -49.2 | 165.9 | 179.8 | 60.8 | 0 | 0 | 0 | 110.9 | I404 N405 K410 S411 W412 K426 | I404-L408 HydrophobicContact CG2-CB 4.44Å; I404-L408 HydrophobicContact CG2-CD2 4.13Å; I404-L408 HydrophobicContact CG2-CG 4.38Å; N405-L408 HydrophobicContact CB-CB 4.01Å; N405-L408 WeakPolarHBondContact O-CB 3.25Å; N405-L408 PolarHBondContact O-N 2.96Å; N405-L408 VanDerWaalsContact O-N 3.12Å; N405-L408 PolarHBondContact OD1-N 2.95Å; L408-K410 VanDerWaalsContact C-N 3.33Å; L408-K410 PolarHBondContact O-N 2.62Å; L408-S411 VanDerWaalsContact O-CB 3.3Å; L408-S411 WeakPolarHBondContact O-CB 3.32Å; L408-S411 PolarHBondContact O-N 3.23Å; L408-S411 PolarHBondContact O-OG 3.38Å; L408-W412 HydrophobicContact CD1-CH2 4.48Å; L408-W412 HydrophobicContact CD1-CZ2 3.72Å; L408-W412 HydrophobicContact CD2-CH2 4.08Å; L408-W412 HydrophobicContact CD2-CZ2 4.08Å; L408-W412 HydrophobicContact CG-CH2 4Å; L408-W412 HydrophobicContact CG-CZ2 3.73Å; L408-K426 HydrophobicContact CD2-CD 3.92Å; L408-K426 VanDerWaalsContact CD2-CE 3.48Å |
| 409 | C | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -36.9 | 178.3 | -164.8 | 0 | 0 | 0 | 0 | 112.2 | I404 N405 Y406 S411 W412 Y413 L416 C422 | I404-C409 HydrophobicContact CG2-CB 4.21Å; N405-C409 PolarHBondContact O-N 2.67Å; Y406-C409 PolarHBondContact O-N 3.29Å; C409-S411 PolarHBondContact O-N 2.82Å; C409-W412 PolarHBondContact O-N 2.9Å; C409-Y413 PolarHBondContact O-N 2.85Å; C409-Y413 WeakPolarHBondContact SG-CD2 3.29Å; C409-L416 HydrophobicContact CB-CD2 3.97Å; C409-C422 HydrophobicContact CB-CB 3.67Å; C409-C422 WeakPolarHBondContact CB-SG 3.22Å; C409-C422 WeakPolarHBondContact SG-CB 3.36Å; C409-C422 CovalentContact SG-SG 2.02Å; C409-C422 PolarHBondContact SG-SG 2.84Å |
| 410 | K | 92.6 | Very high | 89.3 | Confident | 39 Ų | 39 | 32.5 Ų | 32.5 | 17% | 0.17 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.9 | -18.7 | 172.8 | -176.9 | 61.9 | 173.3 | -176.5 | 0 | 113.3 | Y406 L408 Q414 L416 | Y406-K410 HydrophobicContact CD1-CB 4.44Å; Y406-K410 HydrophobicContact CE1-CB 4.21Å; Y406-K410 HydrophobicContact CE1-CG 4.32Å; Y406-K410 WeakPolarHBondContact O-CB 3.45Å; Y406-K410 PolarHBondContact O-N 3.12Å; L408-K410 VanDerWaalsContact C-N 3.33Å; L408-K410 PolarHBondContact O-N 2.62Å; K410-Q414 WeakPolarHBondContact CE-O 3.41Å; K410-Q414 PolarHBondContact NZ-O 2.83Å; K410-L416 HydrophobicContact CB-CD2 4.31Å; K410-L416 HydrophobicContact CD-CB 4.15Å; K410-L416 WeakPolarHBondContact CD-O 3.44Å; K410-L416 WeakPolarHBondContact CE-O 3.41Å; K410-L416 PolarHBondContact NZ-O 2.88Å |
| 411 | S | 91.6 | Very high | 90.2 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 25% | 0.252 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -72.7 | -37.4 | 171.5 | 82.5 | 0 | 0 | 0 | 0 | 111.7 | R238 S239 D407 L408 C409 | R238-S411 WeakPolarHBondContact O-CA 3.08Å; R238-S411 WeakPolarHBondContact O-CB 2.96Å; S239-S411 PolarHBondContact N-O 3.3Å; D407-S411 PolarHBondContact O-N 2.8Å; L408-S411 VanDerWaalsContact O-CB 3.3Å; L408-S411 WeakPolarHBondContact O-CB 3.32Å; L408-S411 PolarHBondContact O-N 3.23Å; L408-S411 PolarHBondContact O-OG 3.38Å; C409-S411 PolarHBondContact O-N 2.82Å |
| 412 | W | 88.5 | Confident | 90.7 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -78.9 | -46.9 | 175.2 | -50.5 | -27.6 | 0 | 0 | 0 | 111 | I404 L408 C409 K426 R465 P467 | I404-W412 HydrophobicContact CD1-CZ3 4.18Å; I404-W412 HydrophobicContact CG2-CZ3 4.32Å; L408-W412 HydrophobicContact CD1-CH2 4.48Å; L408-W412 HydrophobicContact CD1-CZ2 3.72Å; L408-W412 HydrophobicContact CD2-CH2 4.08Å; L408-W412 HydrophobicContact CD2-CZ2 4.08Å; L408-W412 HydrophobicContact CG-CH2 4Å; L408-W412 HydrophobicContact CG-CZ2 3.73Å; C409-W412 PolarHBondContact O-N 2.9Å; W412-K426 HydrophobicContact CH2-CB 4.19Å; W412-K426 HydrophobicContact CH2-CG 4.08Å; W412-R465 HydrophobicContact CD2-CB 3.89Å; W412-R465 HydrophobicContact CE3-CB 4.23Å; W412-R465 HydrophobicContact CG-CB 4.29Å; W412-R465 HydrophobicContact CH2-CB 4.42Å; W412-R465 HydrophobicContact CH2-CG 4.43Å; W412-R465 HydrophobicContact CZ2-CB 4.1Å; W412-R465 HydrophobicContact CZ2-CG 3.91Å; W412-R465 HydrophobicContact CZ3-CB 4.48Å; W412-P467 HydrophobicContact CE3-CG 4.11Å; W412-P467 HydrophobicContact CZ3-CG 4.02Å |
| 413 | Y | 89.5 | Confident | 91.2 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | trans | -108.4 | 94.5 | -176 | -61.4 | -29.5 | 0 | 0 | 0 | 112.5 | C409 Y415 L416 W457 N459 N466 P467 V469 | C409-Y413 PolarHBondContact O-N 2.85Å; C409-Y413 WeakPolarHBondContact SG-CD2 3.29Å; Y413-Y415 PolarHBondContact O-N 3.45Å; Y413-L416 VanDerWaalsContact O-CB 3.26Å; Y413-L416 WeakPolarHBondContact O-CB 3.45Å; Y413-L416 PolarHBondContact O-N 3Å; Y413-W457 HydrophobicContact CD1-CH2 4.3Å; Y413-W457 HydrophobicContact CD1-CZ3 4.19Å; Y413-W457 AromaticContact CD2-CH2 3.69Å; Y413-W457 HydrophobicContact CD2-CH2 3.69Å; Y413-W457 AromaticContact CD2-CZ3 3.96Å; Y413-W457 HydrophobicContact CD2-CZ3 3.96Å; Y413-W457 HydrophobicContact CE1-CZ3 4.26Å; Y413-W457 HydrophobicContact CE2-CH2 4.2Å; Y413-W457 HydrophobicContact CE2-CZ3 4.03Å; Y413-W457 AromaticContact CG-CH2 3.73Å; Y413-W457 HydrophobicContact CG-CH2 3.73Å; Y413-W457 HydrophobicContact CG-CZ3 4.04Å; Y413-N459 HydrophobicContact CE1-CB 4.15Å; Y413-N466 VanDerWaalsContact OH-CA 3.26Å; Y413-N466 WeakPolarHBondContact OH-CA 3.33Å; Y413-P467 HydrophobicContact CE2-CG 4.11Å; Y413-P467 WeakPolarHBondContact CE2-O 3.36Å; Y413-P467 PolarHBondContact OH-O 2.6Å; Y413-V469 HydrophobicContact CD2-CG2 3.59Å; Y413-V469 HydrophobicContact CE2-CG2 3.4Å | ||
| 414 | Q | 87.9 | Confident | 91 | Very high | 64 Ų | 64 | 31.9 Ų | 31.9 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29.9 | -177.9 | -109.8 | -155.9 | 53.4 | 0 | 0 | 115 | R238 S239 V240 K410 | R238-Q414 HydrophobicContact CG-CG 4.49Å; S239-Q414 PolarHBondContact OG-NE2 2.79Å; V240-Q414 HydrophobicContact CB-CG 4.2Å; V240-Q414 HydrophobicContact CG2-CB 3.87Å; V240-Q414 VanDerWaalsContact CG2-CD 3.48Å; V240-Q414 HydrophobicContact CG2-CG 3.84Å; V240-Q414 VanDerWaalsContact CG2-NE2 3.28Å; K410-Q414 WeakPolarHBondContact CE-O 3.41Å; K410-Q414 PolarHBondContact NZ-O 2.83Å |
| 415 | Y | 87.7 | Confident | 90.4 | Very high | 81 Ų | 81 | 32.4 Ų | 32.4 | 32% | 0.318 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -6.8 | -176 | 55.8 | -87.5 | 0 | 0 | 0 | 113.3 | I337 Y413 N417 W457 N459 | I337-Y415 HydrophobicContact CB-CD2 4.2Å; Y413-Y415 PolarHBondContact O-N 3.45Å; Y415-N417 PolarHBondContact O-N 3.09Å; Y415-W457 AromaticContact CD2-CH2 3.93Å; Y415-W457 HydrophobicContact CD2-CH2 3.93Å; Y415-W457 AromaticContact CD2-CZ2 3.81Å; Y415-W457 HydrophobicContact CD2-CZ2 3.81Å; Y415-W457 HydrophobicContact CE1-CH2 4.41Å; Y415-W457 HydrophobicContact CE2-CD2 4.25Å; Y415-W457 AromaticContact CE2-CE2 3.86Å; Y415-W457 HydrophobicContact CE2-CE3 4.09Å; Y415-W457 AromaticContact CE2-CH2 3.16Å; Y415-W457 HydrophobicContact CE2-CH2 3.16Å; Y415-W457 AromaticContact CE2-CZ2 3.3Å; Y415-W457 HydrophobicContact CE2-CZ2 3.3Å; Y415-W457 AromaticContact CE2-CZ3 3.59Å; Y415-W457 HydrophobicContact CE2-CZ3 3.59Å; Y415-W457 AromaticContact CZ-CH2 3.45Å; Y415-W457 VanDerWaalsContact CZ-CH2 3.45Å; Y415-W457 AromaticContact CZ-CZ3 3.53Å; Y415-W457 WeakPolarHBondContact OH-CH2 2.97Å; Y415-W457 WeakPolarHBondContact OH-CZ3 3.25Å; Y415-N459 PolarHBondContact OH-OD1 3.24Å |
| 416 | L | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -51.6 | 123.2 | 170.7 | -174.3 | 75.9 | 0 | 0 | 0 | 109.9 | Y406 C409 K410 Y413 S420 W457 V469 | Y406-L416 HydrophobicContact CD2-CD2 4.13Å; Y406-L416 HydrophobicContact CE2-CD2 3.93Å; Y406-L416 HydrophobicContact CE2-CG 4.07Å; Y406-L416 PolarHBondContact OH-O 2.99Å; C409-L416 HydrophobicContact CB-CD2 3.97Å; K410-L416 HydrophobicContact CB-CD2 4.31Å; K410-L416 HydrophobicContact CD-CB 4.15Å; K410-L416 WeakPolarHBondContact CD-O 3.44Å; K410-L416 WeakPolarHBondContact CE-O 3.41Å; K410-L416 PolarHBondContact NZ-O 2.88Å; Y413-L416 VanDerWaalsContact O-CB 3.26Å; Y413-L416 WeakPolarHBondContact O-CB 3.45Å; Y413-L416 PolarHBondContact O-N 3Å; L416-S420 WeakPolarHBondContact CD1-OG 3.26Å; L416-W457 HydrophobicContact CD1-CZ2 4.4Å; L416-V469 HydrophobicContact CD1-CG1 3.54Å; L416-V469 HydrophobicContact CD1-CG2 4.26Å | ||
| 417 | N | 91.4 | Very high | 88.2 | Confident | 40 Ų | 40 | 35.4 Ų | 35.4 | 21% | 0.214 | 17% | 0.166 | C | C | . | . | trans | -119.8 | 166.2 | -178.2 | 67.7 | 84.8 | 0 | 0 | 0 | 108.9 | A339 Y406 Y415 A419 S420 | A339-N417 WeakPolarHBondContact CB-ND2 3.34Å; Y406-N417 WeakPolarHBondContact OH-CA 3.35Å; Y415-N417 PolarHBondContact O-N 3.09Å; N417-A419 PolarHBondContact O-N 3.17Å; N417-A419 VanDerWaalsContact OD1-CB 3.29Å; N417-A419 WeakPolarHBondContact OD1-CB 3.34Å; N417-A419 PolarHBondContact OD1-N 3Å; N417-A419 VanDerWaalsContact OD1-N 3.13Å; N417-S420 PolarHBondContact O-N 2.95Å; N417-S420 PolarHBondContact O-OG 2.97Å | ||
| 418 | K | 91.8 | Very high | 87 | Confident | 153 Ų | 153 | 34.2 Ų | 34.2 | 67% | 0.665 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.9 | -172.3 | -74.4 | -168.1 | 165.3 | -157.3 | 0 | 114.3 | Y406 S420 N472 M475 | Y406-K418 PolarHBondContact OH-N 3.3Å; K418-S420 PolarHBondContact O-N 3.05Å; K418-S420 VanDerWaalsContact O-N 3.16Å; K418-N472 PolarHBondContact O-ND2 2.89Å; K418-M475 HydrophobicContact CB-CE 4.3Å; K418-M475 HydrophobicContact CB-SD 4.07Å |
| 419 | A | 94.9 | Very high | 85.6 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 6% | 0.058 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 3.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N417 N472 F476 | N417-A419 PolarHBondContact O-N 3.17Å; N417-A419 VanDerWaalsContact OD1-CB 3.29Å; N417-A419 WeakPolarHBondContact OD1-CB 3.34Å; N417-A419 PolarHBondContact OD1-N 3Å; N417-A419 VanDerWaalsContact OD1-N 3.13Å; A419-N472 WeakPolarHBondContact O-CB 3.45Å; A419-N472 PolarHBondContact O-N 3.32Å; A419-F476 HydrophobicContact CB-CE2 3.98Å; A419-F476 HydrophobicContact CB-CZ 3.73Å |
| 420 | S | 95.9 | Very high | 84.2 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 162.2 | 165.3 | 55.6 | 0 | 0 | 0 | 0 | 112.2 | L416 N417 K418 Y470 | L416-S420 WeakPolarHBondContact CD1-OG 3.26Å; N417-S420 PolarHBondContact O-N 2.95Å; N417-S420 PolarHBondContact O-OG 2.97Å; K418-S420 PolarHBondContact O-N 3.05Å; K418-S420 VanDerWaalsContact O-N 3.16Å; S420-Y470 CarbonylContact C-O 3.05Å; S420-Y470 WeakPolarHBondContact CA-O 3.41Å; S420-Y470 WeakPolarHBondContact CB-O 3.37Å |
| 421 | F | 96.1 | Very high | 82.7 | Confident | 8 Ų | 8 | 33.5 Ų | 33.5 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 171.9 | 176 | 67.1 | -79.4 | 0 | 0 | 0 | 109.6 | L373 V403 L441 A452 V469 Y470 N472 | L373-F421 HydrophobicContact CD1-CD1 4.08Å; L373-F421 HydrophobicContact CD1-CE1 3.82Å; L373-F421 HydrophobicContact CD1-CE2 4.5Å; L373-F421 HydrophobicContact CD1-CZ 4.02Å; L373-F421 HydrophobicContact CD2-CE2 4.46Å; L373-F421 HydrophobicContact CD2-CZ 4.39Å; V403-F421 HydrophobicContact CG1-CD2 4.18Å; V403-F421 HydrophobicContact CG2-CD2 4.21Å; V403-F421 HydrophobicContact CG2-CE2 3.97Å; F421-L441 HydrophobicContact CE2-CD2 3.67Å; F421-L441 HydrophobicContact CZ-CD2 3.69Å; F421-A452 HydrophobicContact CZ-CB 4.38Å; F421-V469 WeakPolarHBondContact O-CA 3.32Å; F421-Y470 PolarHBondContact N-O 2.8Å; F421-Y470 PolarHBondContact O-N 2.79Å; F421-N472 HydrophobicContact CD1-CB 3.97Å; F421-N472 HydrophobicContact CE1-CB 4.36Å |
| 422 | C | 93.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143 | -178.1 | -48.4 | 0 | 0 | 0 | 0 | 110.6 | I404 C409 P467 G468 | I404-C422 HydrophobicContact CB-CB 4.34Å; I404-C422 PolarHBondContact N-O 2.83Å; C409-C422 HydrophobicContact CB-CB 3.67Å; C409-C422 WeakPolarHBondContact CB-SG 3.22Å; C409-C422 WeakPolarHBondContact SG-CB 3.36Å; C409-C422 CovalentContact SG-SG 2.02Å; C409-C422 PolarHBondContact SG-SG 2.84Å; C422-P467 HydrophobicContact CB-CB 4.37Å; C422-P467 HydrophobicContact CB-CG 3.9Å; C422-G468 WeakPolarHBondContact CA-O 3.49Å |
| 423 | A | 90.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 140.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110 | L401 P402 L441 G468 Y470 | L401-A423 HydrophobicContact CB-CB 4.09Å; P402-A423 CarbonylContact O-C 3.55Å; P402-A423 WeakPolarHBondContact O-CA 3.31Å; A423-L441 HydrophobicContact CB-CD2 3.94Å; A423-G468 PolarHBondContact N-O 2.82Å; A423-G468 VanDerWaalsContact N-O 3.16Å; A423-Y470 HydrophobicContact CB-CD2 4.04Å; A423-Y470 HydrophobicContact CB-CE2 3.75Å |
| 424 | G | 84.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 142.3 | -173.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P402 I404 | P402-G424 WeakPolarHBondContact CG-O 3.26Å; P402-G424 PolarHBondContact O-N 2.65Å; I404-G424 VanDerWaalsContact CD1-O 3.31Å; I404-G424 WeakPolarHBondContact CD1-O 3.44Å; I404-G424 VanDerWaalsContact CG1-O 3.3Å; I404-G424 WeakPolarHBondContact CG1-O 3.32Å |
| 425 | Y | 74.9 | Confident | 78.7 | Confident | 16 Ų | 16 | 31.9 Ų | 31.9 | 6% | 0.063 | 16% | 0.16 | C | C | . | . | trans | -99.6 | 141.5 | -175.1 | -63.1 | -86.8 | 0 | 0 | 0 | 111.4 | V400 L401 P402 Q427 G428 I430 | V400-Y425 VanDerWaalsContact O-CE2 3.32Å; V400-Y425 WeakPolarHBondContact O-CE2 3.38Å; V400-Y425 PolarHBondContact O-OH 2.91Å; L401-Y425 HydrophobicContact CD2-CD2 4.41Å; L401-Y425 HydrophobicContact CD2-CE2 4.14Å; P402-Y425 VanDerWaalsContact CD-CZ 3.48Å; P402-Y425 HydrophobicContact CG-CD1 4.12Å; P402-Y425 HydrophobicContact CG-CE1 3.9Å; Y425-Q427 PolarHBondContact O-N 1.99Å; Y425-G428 WeakPolarHBondContact CB-O 3.24Å; Y425-G428 PolarHBondContact O-N 3.4Å; Y425-I430 HydrophobicContact CD2-CB 3.86Å; Y425-I430 HydrophobicContact CD2-CD1 4.35Å; Y425-I430 HydrophobicContact CD2-CG1 4.22Å; Y425-I430 HydrophobicContact CE2-CB 3.9Å; Y425-I430 HydrophobicContact CE2-CD1 3.86Å; Y425-I430 HydrophobicContact CE2-CG1 4.18Å | ||
| 426 | K | 71.1 | Confident | 78.4 | Confident | 92 Ų | 92 | 28 Ų | 28 | 40% | 0.4 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.9 | -177.5 | -54 | -175.6 | -177.9 | 172.2 | 0 | 112 | L408 W412 R465 | L408-K426 HydrophobicContact CD2-CD 3.92Å; L408-K426 VanDerWaalsContact CD2-CE 3.48Å; W412-K426 HydrophobicContact CH2-CB 4.19Å; W412-K426 HydrophobicContact CH2-CG 4.08Å; K426-R465 PolarHBondContact O-N 2.79Å |
| 427 | Q | 65.2 | Low | 78.3 | Confident | 99 Ų | 99 | 28.7 Ų | 28.7 | 46% | 0.463 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3 | 173.8 | 66.7 | -84.9 | 21.8 | 0 | 0 | 114.2 | Y425 P464 | Y425-Q427 PolarHBondContact O-N 1.99Å; Q427-P464 WeakPolarHBondContact O-CG 3.47Å |
| 428 | G | 68.1 | Low | 78.5 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 6% | 0.062 | 14% | 0.139 | C | C | . | . | trans | 71.1 | -145.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y425 I430 A462 | Y425-G428 WeakPolarHBondContact CB-O 3.24Å; Y425-G428 PolarHBondContact O-N 3.4Å; G428-I430 VanDerWaalsContact C-N 3.25Å; G428-I430 PolarHBondContact O-N 3.02Å; G428-A462 CarbonylContact C-O 3.21Å; G428-A462 VanDerWaalsContact CA-O 3.24Å; G428-A462 WeakPolarHBondContact CA-O 3.46Å | ||
| 429 | G | 59.3 | Low | 78.6 | Confident | 31 Ų | 31 | 19.5 Ų | 19.5 | 32% | 0.32 | 11% | 0.108 | S | C | . | . | S | Bend | trans | 84.2 | -38.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N252 A462 | N252-G429 WeakPolarHBondContact CB-O 2.94Å; N252-G429 PolarHBondContact ND2-O 3.2Å; G429-A462 PolarHBondContact N-O 2.59Å |
| 430 | I | 60.9 | Low | 78.7 | Confident | 43 Ų | 43 | 19.2 Ų | 19.2 | 22% | 0.221 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -132.7 | 129.4 | 176.5 | -40 | -179 | 0 | 0 | 0 | 109.3 | V251 N252 A399 L401 Y425 G428 | V251-I430 WeakPolarHBondContact O-CA 3.32Å; V251-I430 WeakPolarHBondContact O-CG2 2.93Å; N252-I430 HydrophobicContact CB-CG1 4.15Å; A399-I430 HydrophobicContact CB-CG2 3.73Å; L401-I430 HydrophobicContact CD2-CB 4.16Å; L401-I430 HydrophobicContact CD2-CG2 3.81Å; Y425-I430 HydrophobicContact CD2-CB 3.86Å; Y425-I430 HydrophobicContact CD2-CD1 4.35Å; Y425-I430 HydrophobicContact CD2-CG1 4.22Å; Y425-I430 HydrophobicContact CE2-CB 3.9Å; Y425-I430 HydrophobicContact CE2-CD1 3.86Å; Y425-I430 HydrophobicContact CE2-CG1 4.18Å; G428-I430 VanDerWaalsContact C-N 3.25Å; G428-I430 PolarHBondContact O-N 3.02Å |
| 431 | D | 61.5 | Low | 78.6 | Confident | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | trans | -160.6 | -179.7 | -176.1 | -156.5 | -2.8 | 0 | 0 | 0 | 110.8 | V250 V251 A462 G468 | V250-D431 WeakPolarHBondContact CA-O 3.12Å; V250-D431 VanDerWaalsContact CG1-O 3.27Å; V250-D431 WeakPolarHBondContact CG1-O 3.42Å; V251-D431 PolarHBondContact N-O 3.33Å; D431-A462 HydrophobicContact CB-CB 3.84Å; D431-A462 VanDerWaalsContact CB-N 3.32Å; D431-A462 PolarHBondContact OD2-N 2.86Å; D431-G468 VanDerWaalsContact OD1-CA 3.27Å; D431-G468 WeakPolarHBondContact OD1-CA 3.35Å; D431-G468 PolarHBondContact OD1-N 2.7Å; D431-G468 PolarHBondContact OD2-N 3.49Å | ||
| 432 | A | 66.2 | Low | 78.4 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 5% | 0.05 | 11% | 0.106 | C | C | . | . | trans | -111.9 | 155.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V381 D436 V455 Y470 | V381-A432 HydrophobicContact CG1-CB 4.13Å; V381-A432 HydrophobicContact CG2-CB 3.8Å; A432-D436 HydrophobicContact CB-CB 4.42Å; A432-V455 HydrophobicContact CB-CG1 4.21Å; A432-V455 HydrophobicContact CB-CG2 4.19Å; A432-Y470 WeakPolarHBondContact CB-OH 3.46Å | ||
| 433 | C | 70.5 | Confident | 78.1 | Confident | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.034 | 11% | 0.106 | C | C | . | . | trans | -157.6 | -155 | -173.2 | -157.5 | 0 | 0 | 0 | 0 | 116 | G248 R249 G435 D436 C461 | G248-C433 PolarHBondContact N-SG 3.15Å; G248-C433 VanDerWaalsContact N-SG 3.4Å; G248-C433 WeakPolarHBondContact O-CB 3.32Å; G248-C433 PolarHBondContact O-SG 2.98Å; R249-C433 WeakPolarHBondContact O-CB 3.42Å; C433-G435 PolarHBondContact O-N 3.35Å; C433-G435 VanDerWaalsContact O-N 3.09Å; C433-D436 PolarHBondContact N-OD2 3.18Å; C433-D436 WeakPolarHBondContact O-CA 3.35Å; C433-D436 VanDerWaalsContact O-CB 3.24Å; C433-D436 WeakPolarHBondContact O-CB 3.41Å; C433-D436 PolarHBondContact O-N 3.22Å; C433-C461 HydrophobicContact CB-CB 3.59Å; C433-C461 WeakPolarHBondContact CB-SG 2.99Å; C433-C461 WeakPolarHBondContact SG-CB 2.95Å; C433-C461 CovalentContact SG-SG 1.99Å; C433-C461 PolarHBondContact SG-SG 3.4Å | ||
| 434 | Q | 62.4 | Low | 77.6 | Confident | 68 Ų | 68 | 25.7 Ų | 25.7 | 32% | 0.318 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 111.1 | -160.6 | -78.7 | 81.8 | 48.5 | 0 | 0 | 114.4 | W247 G385 D386 | W247-Q434 VanDerWaalsContact CE3-CD 3.42Å; W247-Q434 HydrophobicContact CE3-CG 3.93Å; W247-Q434 HydrophobicContact CZ3-CG 4.26Å; G385-Q434 CarbonylContact C-O 3.58Å; G385-Q434 VanDerWaalsContact C-O 3.27Å; G385-Q434 WeakPolarHBondContact CA-O 3.45Å; D386-Q434 PolarHBondContact N-O 3.05Å |
| 435 | G | 73.6 | Confident | 77.5 | Confident | 10 Ų | 10 | 25.9 Ų | 25.9 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 109.3 | -21.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H275 C277 A278 G385 C433 | H275-G435 PolarHBondContact NE2-O 3.32Å; H275-G435 VanDerWaalsContact NE2-O 3.12Å; C277-G435 CarbonylContact C-O 3.52Å; C277-G435 WeakPolarHBondContact CA-O 3.27Å; A278-G435 PolarHBondContact N-O 3.37Å; G385-G435 VanDerWaalsContact CA-CA 3.49Å; C433-G435 PolarHBondContact O-N 3.35Å; C433-G435 VanDerWaalsContact O-N 3.09Å |
| 436 | D | 82.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -19.5 | 165.2 | -47.6 | -50.2 | 0 | 0 | 0 | 111 | V250 G383 W384 G385 A432 C433 G438 G439 V455 | V250-D436 HydrophobicContact CG2-CB 4.34Å; V250-D436 VanDerWaalsContact CG2-CG 3.41Å; V250-D436 WeakPolarHBondContact CG2-OD2 3.22Å; V250-D436 PolarHBondContact N-OD2 3.28Å; G383-D436 VanDerWaalsContact CA-OD1 3.24Å; G383-D436 WeakPolarHBondContact CA-OD1 3.23Å; W384-D436 PolarHBondContact N-OD1 2.84Å; G385-D436 PolarHBondContact N-OD1 3.09Å; A432-D436 HydrophobicContact CB-CB 4.42Å; C433-D436 PolarHBondContact N-OD2 3.18Å; C433-D436 WeakPolarHBondContact O-CA 3.35Å; C433-D436 VanDerWaalsContact O-CB 3.24Å; C433-D436 WeakPolarHBondContact O-CB 3.41Å; C433-D436 PolarHBondContact O-N 3.22Å; D436-G438 PolarHBondContact O-N 2.66Å; D436-G439 VanDerWaalsContact O-CA 3.26Å; D436-G439 WeakPolarHBondContact O-CA 3.03Å; D436-G439 PolarHBondContact O-N 3.21Å; D436-V455 HydrophobicContact CB-CG1 4.36Å; D436-V455 HydrophobicContact CB-CG2 4.45Å; D436-V455 VanDerWaalsContact O-CB 3.32Å; D436-V455 WeakPolarHBondContact O-CB 3.5Å; D436-V455 WeakPolarHBondContact O-CG2 3.3Å |
| 437 | S | 89.4 | Confident | 77.5 | Confident | 15 Ų | 15 | 22.3 Ų | 22.3 | 11% | 0.105 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -35.2 | 131.2 | 166.4 | -71.8 | 0 | 0 | 0 | 0 | 113.1 | C277 A278 H292 G439 | C277-S437 WeakPolarHBondContact CB-O 3.49Å; A278-S437 PolarHBondContact N-O 2.67Å; H292-S437 PolarHBondContact CE1-OG 2.73Å; H292-S437 VanDerWaalsContact NE2-CB 3.25Å; H292-S437 WeakPolarHBondContact NE2-CB 3.48Å; H292-S437 PolarHBondContact NE2-OG 2.94Å; S437-G439 PolarHBondContact O-N 2.81Å |
| 438 | G | 95.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -11.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | A278 G279 T289 D436 V455 | A278-G438 CarbonylContact O-C 3.55Å; A278-G438 WeakPolarHBondContact O-CA 3.37Å; G279-G438 WeakPolarHBondContact CA-O 3.27Å; T289-G438 VanDerWaalsContact OG1-CA 3.32Å; T289-G438 WeakPolarHBondContact OG1-CA 3.31Å; D436-G438 PolarHBondContact O-N 2.66Å; G438-V455 PolarHBondContact N-O 2.82Å |
| 439 | G | 94.2 | Very high | 78.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -70.4 | 159.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A278 D436 S437 I454 V455 | A278-G439 VanDerWaalsContact CB-CA 3.45Å; D436-G439 VanDerWaalsContact O-CA 3.26Å; D436-G439 WeakPolarHBondContact O-CA 3.03Å; D436-G439 PolarHBondContact O-N 3.21Å; S437-G439 PolarHBondContact O-N 2.81Å; G439-I454 CarbonylContact O-C 3.48Å; G439-I454 WeakPolarHBondContact O-CA 3.5Å; G439-V455 PolarHBondContact O-N 3.18Å | ||
| 440 | P | 95.5 | Very high | 80.3 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 139.2 | -179.7 | 27.5 | -31.8 | 0 | 0 | 0 | 113.1 | W261 F263 I264 S280 L442 Q451 | W261-P440 HydrophobicContact CE3-CG 3.73Å; W261-P440 HydrophobicContact CZ3-CB 4.02Å; W261-P440 HydrophobicContact CZ3-CG 3.62Å; F263-P440 HydrophobicContact CD2-CG 4.37Å; F263-P440 HydrophobicContact CE2-CB 3.88Å; F263-P440 HydrophobicContact CE2-CG 3.74Å; I264-P440 HydrophobicContact CB-CG 4.48Å; I264-P440 HydrophobicContact CD1-CG 4.19Å; I264-P440 HydrophobicContact CG1-CG 4.09Å; S280-P440 WeakPolarHBondContact OG-CB 3.22Å; P440-L442 HydrophobicContact CB-CD1 3.92Å; P440-Q451 HydrophobicContact CB-CG 3.98Å |
| 441 | L | 94.3 | Very high | 82 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.1 | 155.6 | -179 | 79.6 | 0 | 0 | 0 | 108 | C379 M380 V381 F421 A423 Q451 A452 G453 Y470 | C379-L441 HydrophobicContact CB-CD1 3.67Å; C379-L441 HydrophobicContact CB-CD2 4.09Å; C379-L441 HydrophobicContact CB-CG 3.81Å; M380-L441 CarbonylContact O-C 3.5Å; M380-L441 WeakPolarHBondContact O-CA 3.29Å; V381-L441 HydrophobicContact CB-CD1 3.74Å; V381-L441 HydrophobicContact CG2-CD1 4.43Å; F421-L441 HydrophobicContact CE2-CD2 3.67Å; F421-L441 HydrophobicContact CZ-CD2 3.69Å; A423-L441 HydrophobicContact CB-CD2 3.94Å; L441-Q451 CarbonylContact O-C 3.59Å; L441-A452 PolarHBondContact O-N 2.74Å; L441-G453 PolarHBondContact N-O 2.83Å; L441-G453 PolarHBondContact O-N 3.44Å; L441-Y470 HydrophobicContact CB-CD1 3.59Å; L441-Y470 HydrophobicContact CB-CE1 3.8Å; L441-Y470 HydrophobicContact CB-CG 4.42Å; L441-Y470 HydrophobicContact CD1-CD1 4.4Å; L441-Y470 HydrophobicContact CD1-CE1 3.92Å; L441-Y470 HydrophobicContact CD2-CD1 3.63Å; L441-Y470 HydrophobicContact CD2-CD2 3.98Å; L441-Y470 HydrophobicContact CD2-CE1 3.91Å; L441-Y470 HydrophobicContact CD2-CE2 4.29Å; L441-Y470 HydrophobicContact CD2-CG 3.67Å; L441-Y470 HydrophobicContact CG-CD1 4.07Å; L441-Y470 HydrophobicContact CG-CE1 4.09Å |
| 442 | L | 91.8 | Very high | 83.6 | Confident | 14 Ų | 14 | 18.9 Ų | 18.9 | 7% | 0.073 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 131.8 | 176.6 | -99.6 | 58 | 0 | 0 | 0 | 109.7 | W261 F263 C379 M380 P440 T449 V450 Q451 | W261-L442 HydrophobicContact CH2-CB 4.17Å; W261-L442 HydrophobicContact CH2-CD1 4.42Å; W261-L442 HydrophobicContact CH2-CD2 4.27Å; W261-L442 HydrophobicContact CZ3-CB 4.45Å; W261-L442 HydrophobicContact CZ3-CD1 3.87Å; W261-L442 HydrophobicContact CZ3-CD2 4.15Å; W261-L442 HydrophobicContact CZ3-CG 4.38Å; F263-L442 HydrophobicContact CE1-CD2 4.17Å; F263-L442 HydrophobicContact CE2-CD1 3.74Å; F263-L442 HydrophobicContact CE2-CD2 4.46Å; F263-L442 HydrophobicContact CZ-CD1 3.67Å; F263-L442 HydrophobicContact CZ-CD2 3.55Å; F263-L442 HydrophobicContact CZ-CG 4.28Å; C379-L442 CarbonylContact C-O 3.6Å; C379-L442 WeakPolarHBondContact CA-O 3.35Å; C379-L442 WeakPolarHBondContact CB-O 3.44Å; M380-L442 PolarHBondContact N-O 2.83Å; M380-L442 PolarHBondContact O-N 2.73Å; P440-L442 HydrophobicContact CB-CD1 3.92Å; L442-T449 HydrophobicContact CB-CG2 4.07Å; L442-T449 HydrophobicContact CD2-CG2 3.84Å; L442-T449 HydrophobicContact CG-CG2 3.97Å; L442-V450 CarbonylContact C-O 3.6Å; L442-V450 VanDerWaalsContact CA-O 3.29Å; L442-V450 WeakPolarHBondContact CA-O 3.42Å; L442-Q451 HydrophobicContact CD1-CB 3.97Å; L442-Q451 HydrophobicContact CD1-CG 4.34Å |
| 443 | C | 87.7 | Confident | 85 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144 | 176 | -55.9 | 0 | 0 | 0 | 0 | 110 | L373 V377 C379 V445 T449 V450 A452 | L373-C443 HydrophobicContact CD2-CB 4.14Å; V377-C443 HydrophobicContact CG1-CB 4.23Å; C379-C443 HydrophobicContact CB-CB 4.04Å; C379-C443 WeakPolarHBondContact CB-SG 3.26Å; C379-C443 WeakPolarHBondContact SG-CB 3.32Å; C379-C443 CovalentContact SG-SG 2.03Å; C379-C443 PolarHBondContact SG-SG 3.17Å; C443-V445 HydrophobicContact CB-CG1 4.25Å; C443-V445 PolarHBondContact O-N 3.34Å; C443-T449 WeakPolarHBondContact O-CA 3.49Å; C443-V450 PolarHBondContact N-O 2.83Å; C443-V450 PolarHBondContact O-N 2.89Å; C443-A452 HydrophobicContact CB-CB 3.83Å |
| 444 | Y | 81.2 | Confident | 86.3 | Confident | 131 Ų | 131 | 18.4 Ų | 18.4 | 51% | 0.514 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 98.4 | 172.2 | -172.6 | -100.9 | 0 | 0 | 0 | 109.9 | G447 | Y444-G447 WeakPolarHBondContact CE2-O 3.31Å; Y444-G447 PolarHBondContact OH-O 2.78Å |
| 445 | V | 81.8 | Confident | 87.8 | Confident | 5 Ų | 5 | 15.5 Ų | 15.5 | 3% | 0.03 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.5 | -175.9 | -71.2 | 0 | 0 | 0 | 0 | 111.9 | L369 L372 L373 V377 C443 G447 Q448 V450 | L369-V445 HydrophobicContact CD2-CG2 4.5Å; L372-V445 HydrophobicContact CB-CB 4.13Å; L372-V445 HydrophobicContact CB-CG1 4.35Å; L373-V445 HydrophobicContact CD2-CG1 3.94Å; V377-V445 HydrophobicContact CG1-CG1 3.67Å; C443-V445 HydrophobicContact CB-CG1 4.25Å; C443-V445 PolarHBondContact O-N 3.34Å; V445-G447 PolarHBondContact O-N 2.78Å; V445-Q448 PolarHBondContact N-O 2.94Å; V445-Q448 WeakPolarHBondContact O-CG 3.12Å; V445-Q448 PolarHBondContact O-N 2.83Å; V445-Q448 VanDerWaalsContact O-O 3.05Å; V445-V450 HydrophobicContact CG2-CG2 3.44Å; V445-V450 VanDerWaalsContact CG2-CG2 3.44Å |
| 446 | G | 73.5 | Confident | 88.7 | Confident | 21 Ų | 21 | 15.1 Ų | 15.1 | 22% | 0.216 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 19 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K228 | K228-G446 VanDerWaalsContact CA-O 3.31Å; K228-G446 WeakPolarHBondContact CA-O 3.34Å; K228-G446 PolarHBondContact N-O 2.72Å |
| 447 | G | 72.9 | Confident | 89 | Confident | 12 Ų | 12 | 16.3 Ų | 16.3 | 12% | 0.124 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L226 Y444 V445 | L226-G447 CarbonylContact C-O 3.57Å; L226-G447 WeakPolarHBondContact CA-O 3.44Å; L226-G447 WeakPolarHBondContact CB-O 3.16Å; L226-G447 CarbonylContact O-C 3.55Å; Y444-G447 WeakPolarHBondContact CE2-O 3.31Å; Y444-G447 PolarHBondContact OH-O 2.78Å; V445-G447 PolarHBondContact O-N 2.78Å |
| 448 | Q | 78.3 | Confident | 88.3 | Confident | 66 Ų | 66 | 16.8 Ų | 16.8 | 31% | 0.308 | 9% | 0.093 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 146.2 | -175 | 52.9 | 175.3 | 10.3 | 0 | 0 | 111.9 | V445 V450 | V445-Q448 PolarHBondContact N-O 2.94Å; V445-Q448 WeakPolarHBondContact O-CG 3.12Å; V445-Q448 PolarHBondContact O-N 2.83Å; V445-Q448 VanDerWaalsContact O-O 3.05Å; Q448-V450 HydrophobicContact CG-CG1 3.98Å |
| 449 | T | 82.1 | Confident | 87 | Confident | 34 Ų | 34 | 20 Ų | 20 | 21% | 0.209 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.6 | 169.6 | -53 | 0 | 0 | 0 | 0 | 109.3 | P362 L442 C443 | P362-T449 WeakPolarHBondContact CB-O 3.3Å; L442-T449 HydrophobicContact CB-CG2 4.07Å; L442-T449 HydrophobicContact CD2-CG2 3.84Å; L442-T449 HydrophobicContact CG-CG2 3.97Å; C443-T449 WeakPolarHBondContact O-CA 3.49Å |
| 450 | V | 91.3 | Very high | 85.5 | Confident | 6 Ų | 6 | 20.8 Ų | 20.8 | 4% | 0.036 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.9 | 178.3 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | P362 P364 L442 C443 V445 Q448 A452 | P362-V450 CarbonylContact O-C 3.47Å; P362-V450 WeakPolarHBondContact O-CA 3.37Å; P362-V450 WeakPolarHBondContact O-CB 3.05Å; P364-V450 HydrophobicContact CB-CB 4.43Å; P364-V450 HydrophobicContact CB-CG2 4.43Å; L442-V450 CarbonylContact C-O 3.6Å; L442-V450 VanDerWaalsContact CA-O 3.29Å; L442-V450 WeakPolarHBondContact CA-O 3.42Å; C443-V450 PolarHBondContact N-O 2.83Å; C443-V450 PolarHBondContact O-N 2.89Å; V445-V450 HydrophobicContact CG2-CG2 3.44Å; V445-V450 VanDerWaalsContact CG2-CG2 3.44Å; Q448-V450 HydrophobicContact CG-CG1 3.98Å; V450-A452 HydrophobicContact CG2-CB 4.44Å; V450-A452 PolarHBondContact O-N 2.89Å |
| 451 | Q | 95 | Very high | 84 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 84.9 | 166.9 | -175.1 | -171.8 | -12.6 | 0 | 0 | 108.9 | S280 S361 P362 P364 P440 L441 L442 G453 V473 | S280-Q451 PolarHBondContact OG-NE2 3.01Å; S280-Q451 PolarHBondContact OG-OE1 2.75Å; S361-Q451 WeakPolarHBondContact OG-CB 3.46Å; S361-Q451 PolarHBondContact OG-OE1 3.29Å; P362-Q451 PolarHBondContact O-N 3.01Å; P364-Q451 WeakPolarHBondContact CD-O 3.3Å; P440-Q451 HydrophobicContact CB-CG 3.98Å; L441-Q451 CarbonylContact O-C 3.59Å; L442-Q451 HydrophobicContact CD1-CB 3.97Å; L442-Q451 HydrophobicContact CD1-CG 4.34Å; Q451-G453 WeakPolarHBondContact CG-O 3.48Å; Q451-V473 WeakPolarHBondContact O-CB 3.37Å |
| 452 | A | 95.5 | Very high | 82.3 | Confident | 3 Ų | 3 | 22 Ų | 22 | 3% | 0.025 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -30.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L373 F421 L441 C443 V450 V473 | L373-A452 HydrophobicContact CD1-CB 4.13Å; L373-A452 HydrophobicContact CD2-CB 3.71Å; F421-A452 HydrophobicContact CZ-CB 4.38Å; L441-A452 PolarHBondContact O-N 2.74Å; C443-A452 HydrophobicContact CB-CB 3.83Å; V450-A452 HydrophobicContact CG2-CB 4.44Å; V450-A452 PolarHBondContact O-N 2.89Å; A452-V473 PolarHBondContact O-N 3.24Å |
| 453 | G | 96.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 157.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L441 Q451 T471 | L441-G453 PolarHBondContact N-O 2.83Å; L441-G453 PolarHBondContact O-N 3.44Å; Q451-G453 WeakPolarHBondContact CG-O 3.48Å; G453-T471 VanDerWaalsContact CA-O 3.3Å; G453-T471 WeakPolarHBondContact CA-O 3.24Å |
| 454 | I | 97.7 | Very high | 79.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.6 | 161.7 | -61.4 | 161.2 | 0 | 0 | 0 | 106.7 | M288 A290 I342 G439 S456 Y470 T471 V473 | M288-I454 HydrophobicContact CG-CD1 3.69Å; M288-I454 HydrophobicContact CG-CG1 4.39Å; M288-I454 HydrophobicContact SD-CD1 3.78Å; M288-I454 HydrophobicContact SD-CG1 4.29Å; A290-I454 HydrophobicContact CB-CG2 4.11Å; I342-I454 HydrophobicContact CB-CD1 4.14Å; I342-I454 HydrophobicContact CD1-CD1 3.61Å; I342-I454 HydrophobicContact CG1-CD1 3.57Å; G439-I454 CarbonylContact O-C 3.48Å; G439-I454 WeakPolarHBondContact O-CA 3.5Å; I454-S456 PolarHBondContact O-N 2.98Å; I454-S456 VanDerWaalsContact O-N 3.13Å; I454-Y470 CarbonylContact O-C 3.56Å; I454-Y470 WeakPolarHBondContact O-CA 3.5Å; I454-T471 PolarHBondContact N-O 3.19Å; I454-T471 VanDerWaalsContact N-O 3.16Å; I454-T471 PolarHBondContact O-N 2.93Å; I454-V473 HydrophobicContact CD1-CG2 3.96Å; I454-V473 HydrophobicContact CG1-CG2 3.69Å |
| 455 | V | 94.5 | Very high | 79.1 | Confident | 8 Ų | 8 | 30.9 Ų | 30.9 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 118.2 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | V381 A432 D436 G438 G439 Y470 | V381-V455 HydrophobicContact CG2-CG2 3.65Å; A432-V455 HydrophobicContact CB-CG1 4.21Å; A432-V455 HydrophobicContact CB-CG2 4.19Å; D436-V455 HydrophobicContact CB-CG1 4.36Å; D436-V455 HydrophobicContact CB-CG2 4.45Å; D436-V455 VanDerWaalsContact O-CB 3.32Å; D436-V455 WeakPolarHBondContact O-CB 3.5Å; D436-V455 WeakPolarHBondContact O-CG2 3.3Å; G438-V455 PolarHBondContact N-O 2.82Å; G439-V455 PolarHBondContact O-N 3.18Å; V455-Y470 HydrophobicContact CB-CE1 4.38Å; V455-Y470 HydrophobicContact CG2-CD1 4.22Å; V455-Y470 HydrophobicContact CG2-CE1 3.76Å |
| 456 | S | 92.9 | Very high | 78.9 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | -63.8 | -170.2 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | H292 D341 I454 V469 | H292-S456 PolarHBondContact CE1-O 2.97Å; H292-S456 PolarHBondContact ND1-O 3.49Å; D341-S456 VanDerWaalsContact CB-OG 3.27Å; D341-S456 WeakPolarHBondContact CB-OG 3.27Å; D341-S456 WeakPolarHBondContact OD2-CA 3.38Å; D341-S456 WeakPolarHBondContact OD2-CB 3.22Å; D341-S456 PolarHBondContact OD2-OG 2.03Å; I454-S456 PolarHBondContact O-N 2.98Å; I454-S456 VanDerWaalsContact O-N 3.13Å; S456-V469 WeakPolarHBondContact CB-O 3.26Å; S456-V469 PolarHBondContact N-O 3.06Å |
| 457 | W | 88.3 | Confident | 79.5 | Confident | 25 Ų | 25 | 31 Ų | 31 | 10% | 0.095 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 168.4 | 179.5 | 59.1 | -88.4 | 0 | 0 | 0 | 111.9 | Y338 Y413 Y415 L416 V469 | Y338-W457 HydrophobicContact CD2-CB 4.36Å; Y338-W457 HydrophobicContact CD2-CG 4.19Å; Y338-W457 HydrophobicContact CG-CB 4.28Å; Y338-W457 AromaticContact CG-CD1 3.85Å; Y338-W457 HydrophobicContact CG-CG 4.13Å; Y413-W457 HydrophobicContact CD1-CH2 4.3Å; Y413-W457 HydrophobicContact CD1-CZ3 4.19Å; Y413-W457 AromaticContact CD2-CH2 3.69Å; Y413-W457 HydrophobicContact CD2-CH2 3.69Å; Y413-W457 AromaticContact CD2-CZ3 3.96Å; Y413-W457 HydrophobicContact CD2-CZ3 3.96Å; Y413-W457 HydrophobicContact CE1-CZ3 4.26Å; Y413-W457 HydrophobicContact CE2-CH2 4.2Å; Y413-W457 HydrophobicContact CE2-CZ3 4.03Å; Y413-W457 AromaticContact CG-CH2 3.73Å; Y413-W457 HydrophobicContact CG-CH2 3.73Å; Y413-W457 HydrophobicContact CG-CZ3 4.04Å; Y415-W457 AromaticContact CD2-CH2 3.93Å; Y415-W457 HydrophobicContact CD2-CH2 3.93Å; Y415-W457 AromaticContact CD2-CZ2 3.81Å; Y415-W457 HydrophobicContact CD2-CZ2 3.81Å; Y415-W457 HydrophobicContact CE1-CH2 4.41Å; Y415-W457 HydrophobicContact CE2-CD2 4.25Å; Y415-W457 AromaticContact CE2-CE2 3.86Å; Y415-W457 HydrophobicContact CE2-CE3 4.09Å; Y415-W457 AromaticContact CE2-CH2 3.16Å; Y415-W457 HydrophobicContact CE2-CH2 3.16Å; Y415-W457 AromaticContact CE2-CZ2 3.3Å; Y415-W457 HydrophobicContact CE2-CZ2 3.3Å; Y415-W457 AromaticContact CE2-CZ3 3.59Å; Y415-W457 HydrophobicContact CE2-CZ3 3.59Å; Y415-W457 AromaticContact CZ-CH2 3.45Å; Y415-W457 VanDerWaalsContact CZ-CH2 3.45Å; Y415-W457 AromaticContact CZ-CZ3 3.53Å; Y415-W457 WeakPolarHBondContact OH-CH2 2.97Å; Y415-W457 WeakPolarHBondContact OH-CZ3 3.25Å; L416-W457 HydrophobicContact CD1-CZ2 4.4Å; W457-V469 HydrophobicContact CD2-CB 3.87Å; W457-V469 HydrophobicContact CD2-CG1 4.31Å; W457-V469 HydrophobicContact CD2-CG2 4.08Å; W457-V469 HydrophobicContact CE3-CB 4.28Å; W457-V469 HydrophobicContact CE3-CG2 4.01Å; W457-V469 HydrophobicContact CG-CB 4.3Å; W457-V469 HydrophobicContact CH2-CB 4.29Å; W457-V469 HydrophobicContact CH2-CG1 4.44Å; W457-V469 HydrophobicContact CH2-CG2 3.61Å; W457-V469 HydrophobicContact CZ2-CB 3.91Å; W457-V469 HydrophobicContact CZ2-CG1 3.69Å; W457-V469 HydrophobicContact CZ2-CG2 3.72Å; W457-V469 HydrophobicContact CZ3-CB 4.45Å; W457-V469 HydrophobicContact CZ3-CG2 3.76Å; W457-V469 PolarHBondContact N-O 2.75Å; W457-V469 WeakPolarHBondContact O-CA 3.49Å; W457-V469 VanDerWaalsContact O-CB 3.3Å; W457-V469 WeakPolarHBondContact O-CB 3.01Å; W457-V469 PolarHBondContact O-N 2.83Å |
| 458 | G | 74.8 | Confident | 80.3 | Confident | 25 Ų | 25 | 30.6 Ų | 30.6 | 26% | 0.258 | 16% | 0.161 | S | C | . | . | trans | -151.6 | 156.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 459 | N | 67.1 | Low | 81 | Confident | 68 Ų | 68 | 27.5 Ų | 27.5 | 36% | 0.364 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -66 | -34.6 | 171.6 | -82.6 | 6.5 | 0 | 0 | 0 | 110.9 | Y413 Y415 | Y413-N459 HydrophobicContact CE1-CB 4.15Å; Y415-N459 PolarHBondContact OH-OD1 3.24Å |
| 460 | D | 62.9 | Low | 81.7 | Confident | 16 Ų | 16 | 25.9 Ų | 25.9 | 9% | 0.086 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -164.5 | 179.6 | 172.7 | -158.8 | -12.2 | 0 | 0 | 0 | 106.9 | K463 | D460-K463 HydrophobicContact CB-CD 4Å; D460-K463 VanDerWaalsContact OD2-CD 3.25Å; D460-K463 WeakPolarHBondContact OD2-CD 3.25Å; D460-K463 WeakPolarHBondContact OD2-CE 3.34Å; D460-K463 IonicContact OD2-NZ 3.13Å; D460-K463 PolarHBondContact OD2-NZ 3.21Å |
| 461 | C | 64.6 | Low | 82 | Confident | 10 Ų | 10 | 25.7 Ų | 25.7 | 7% | 0.068 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -113.7 | 131.6 | -170.9 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | V251 C433 K463 | V251-C461 HydrophobicContact CG2-CB 4.31Å; C433-C461 HydrophobicContact CB-CB 3.59Å; C433-C461 WeakPolarHBondContact CB-SG 2.99Å; C433-C461 WeakPolarHBondContact SG-CB 2.95Å; C433-C461 CovalentContact SG-SG 1.99Å; C433-C461 PolarHBondContact SG-SG 3.4Å; C461-K463 PolarHBondContact O-N 2.8Å |
| 462 | A | 58.1 | Low | 82.1 | Confident | 16 Ų | 16 | 26 Ų | 26 | 13% | 0.132 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 55.7 | 22.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | V251 G428 G429 D431 | V251-A462 HydrophobicContact CB-CB 3.58Å; V251-A462 HydrophobicContact CG1-CB 3.87Å; V251-A462 HydrophobicContact CG2-CB 3.62Å; G428-A462 CarbonylContact C-O 3.21Å; G428-A462 VanDerWaalsContact CA-O 3.24Å; G428-A462 WeakPolarHBondContact CA-O 3.46Å; G429-A462 PolarHBondContact N-O 2.59Å; D431-A462 HydrophobicContact CB-CB 3.84Å; D431-A462 VanDerWaalsContact CB-N 3.32Å; D431-A462 PolarHBondContact OD2-N 2.86Å |
| 463 | K | 60.7 | Low | 82.2 | Confident | 105 Ų | 105 | 25.9 Ų | 25.9 | 46% | 0.457 | 14% | 0.136 | S | C | . | . | B | Isolated β-bridge | trans | -81.8 | 148.2 | 170.1 | -84.4 | -175.9 | 178.5 | 162.5 | 0 | 111 | D460 C461 R465 N466 | D460-K463 HydrophobicContact CB-CD 4Å; D460-K463 VanDerWaalsContact OD2-CD 3.25Å; D460-K463 WeakPolarHBondContact OD2-CD 3.25Å; D460-K463 WeakPolarHBondContact OD2-CE 3.34Å; D460-K463 IonicContact OD2-NZ 3.13Å; D460-K463 PolarHBondContact OD2-NZ 3.21Å; C461-K463 PolarHBondContact O-N 2.8Å; K463-R465 PolarHBondContact O-N 2.92Å; K463-N466 HydrophobicContact CB-CB 3.95Å; K463-N466 PolarHBondContact O-N 3.43Å |
| 464 | P | 63.3 | Low | 82.2 | Confident | 87 Ų | 87 | 25.9 Ų | 25.9 | 57% | 0.565 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | 132.7 | 171.9 | -22.4 | 30.2 | 0 | 0 | 0 | 111.6 | Q427 N466 | Q427-P464 WeakPolarHBondContact O-CG 3.47Å; P464-N466 PolarHBondContact O-N 3.04Å; P464-N466 VanDerWaalsContact O-N 3.14Å |
| 465 | R | 70.4 | Confident | 82.2 | Confident | 139 Ų | 139 | 30 Ų | 30 | 53% | 0.525 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 8.5 | -176.8 | -51.9 | 179.6 | -176.2 | 174.9 | 1.6 | 116 | W412 K426 K463 P467 | W412-R465 HydrophobicContact CD2-CB 3.89Å; W412-R465 HydrophobicContact CE3-CB 4.23Å; W412-R465 HydrophobicContact CG-CB 4.29Å; W412-R465 HydrophobicContact CH2-CB 4.42Å; W412-R465 HydrophobicContact CH2-CG 4.43Å; W412-R465 HydrophobicContact CZ2-CB 4.1Å; W412-R465 HydrophobicContact CZ2-CG 3.91Å; W412-R465 HydrophobicContact CZ3-CB 4.48Å; K426-R465 PolarHBondContact O-N 2.79Å; K463-R465 PolarHBondContact O-N 2.92Å; R465-P467 VanDerWaalsContact O-CD 3.26Å; R465-P467 WeakPolarHBondContact O-CD 3.32Å |
| 466 | N | 77.7 | Confident | 82.3 | Confident | 26 Ų | 26 | 30 Ų | 30 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -116.1 | 76.5 | 172.1 | -72.9 | -5.6 | 0 | 0 | 0 | 110 | Y413 K463 P464 | Y413-N466 VanDerWaalsContact OH-CA 3.26Å; Y413-N466 WeakPolarHBondContact OH-CA 3.33Å; K463-N466 HydrophobicContact CB-CB 3.95Å; K463-N466 PolarHBondContact O-N 3.43Å; P464-N466 PolarHBondContact O-N 3.04Å; P464-N466 VanDerWaalsContact O-N 3.14Å |
| 467 | P | 84.7 | Confident | 82.5 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | trans | -78.5 | 155.8 | 172.9 | 34.9 | -37.5 | 0 | 0 | 0 | 111.4 | I404 W412 Y413 C422 R465 | I404-P467 HydrophobicContact CD1-CB 3.4Å; I404-P467 VanDerWaalsContact CD1-CB 3.4Å; I404-P467 HydrophobicContact CD1-CG 3.58Å; W412-P467 HydrophobicContact CE3-CG 4.11Å; W412-P467 HydrophobicContact CZ3-CG 4.02Å; Y413-P467 HydrophobicContact CE2-CG 4.11Å; Y413-P467 WeakPolarHBondContact CE2-O 3.36Å; Y413-P467 PolarHBondContact OH-O 2.6Å; C422-P467 HydrophobicContact CB-CB 4.37Å; C422-P467 HydrophobicContact CB-CG 3.9Å; R465-P467 VanDerWaalsContact O-CD 3.26Å; R465-P467 WeakPolarHBondContact O-CD 3.32Å | ||
| 468 | G | 90 | Very high | 82.8 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 143.9 | 166 | 0 | 0 | 0 | 0 | 0 | 112.8 | C422 A423 D431 Y470 | C422-G468 WeakPolarHBondContact CA-O 3.49Å; A423-G468 PolarHBondContact N-O 2.82Å; A423-G468 VanDerWaalsContact N-O 3.16Å; D431-G468 VanDerWaalsContact OD1-CA 3.27Å; D431-G468 WeakPolarHBondContact OD1-CA 3.35Å; D431-G468 PolarHBondContact OD1-N 2.7Å; D431-G468 PolarHBondContact OD2-N 3.49Å; G468-Y470 VanDerWaalsContact C-CE2 3.48Å; G468-Y470 WeakPolarHBondContact O-CD2 3.37Å; G468-Y470 VanDerWaalsContact O-CE2 3.23Å; G468-Y470 WeakPolarHBondContact O-CE2 3.18Å |
| 469 | V | 93.8 | Very high | 83.9 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.5 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | Y413 L416 F421 S456 W457 | Y413-V469 HydrophobicContact CD2-CG2 3.59Å; Y413-V469 HydrophobicContact CE2-CG2 3.4Å; L416-V469 HydrophobicContact CD1-CG1 3.54Å; L416-V469 HydrophobicContact CD1-CG2 4.26Å; F421-V469 WeakPolarHBondContact O-CA 3.32Å; S456-V469 WeakPolarHBondContact CB-O 3.26Å; S456-V469 PolarHBondContact N-O 3.06Å; W457-V469 HydrophobicContact CD2-CB 3.87Å; W457-V469 HydrophobicContact CD2-CG1 4.31Å; W457-V469 HydrophobicContact CD2-CG2 4.08Å; W457-V469 HydrophobicContact CE3-CB 4.28Å; W457-V469 HydrophobicContact CE3-CG2 4.01Å; W457-V469 HydrophobicContact CG-CB 4.3Å; W457-V469 HydrophobicContact CH2-CB 4.29Å; W457-V469 HydrophobicContact CH2-CG1 4.44Å; W457-V469 HydrophobicContact CH2-CG2 3.61Å; W457-V469 HydrophobicContact CZ2-CB 3.91Å; W457-V469 HydrophobicContact CZ2-CG1 3.69Å; W457-V469 HydrophobicContact CZ2-CG2 3.72Å; W457-V469 HydrophobicContact CZ3-CB 4.45Å; W457-V469 HydrophobicContact CZ3-CG2 3.76Å; W457-V469 PolarHBondContact N-O 2.75Å; W457-V469 WeakPolarHBondContact O-CA 3.49Å; W457-V469 VanDerWaalsContact O-CB 3.3Å; W457-V469 WeakPolarHBondContact O-CB 3.01Å; W457-V469 PolarHBondContact O-N 2.83Å |
| 470 | Y | 96.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.6 | -170.6 | -59.5 | -97.8 | 0 | 0 | 0 | 110.3 | V381 L401 S420 F421 A423 A432 L441 I454 V455 G468 N472 | V381-Y470 HydrophobicContact CG2-CE1 4.17Å; L401-Y470 WeakPolarHBondContact CD1-OH 3.48Å; S420-Y470 CarbonylContact C-O 3.05Å; S420-Y470 WeakPolarHBondContact CA-O 3.41Å; S420-Y470 WeakPolarHBondContact CB-O 3.37Å; F421-Y470 PolarHBondContact N-O 2.8Å; F421-Y470 PolarHBondContact O-N 2.79Å; A423-Y470 HydrophobicContact CB-CD2 4.04Å; A423-Y470 HydrophobicContact CB-CE2 3.75Å; A432-Y470 WeakPolarHBondContact CB-OH 3.46Å; L441-Y470 HydrophobicContact CB-CD1 3.59Å; L441-Y470 HydrophobicContact CB-CE1 3.8Å; L441-Y470 HydrophobicContact CB-CG 4.42Å; L441-Y470 HydrophobicContact CD1-CD1 4.4Å; L441-Y470 HydrophobicContact CD1-CE1 3.92Å; L441-Y470 HydrophobicContact CD2-CD1 3.63Å; L441-Y470 HydrophobicContact CD2-CD2 3.98Å; L441-Y470 HydrophobicContact CD2-CE1 3.91Å; L441-Y470 HydrophobicContact CD2-CE2 4.29Å; L441-Y470 HydrophobicContact CD2-CG 3.67Å; L441-Y470 HydrophobicContact CG-CD1 4.07Å; L441-Y470 HydrophobicContact CG-CE1 4.09Å; I454-Y470 CarbonylContact O-C 3.56Å; I454-Y470 WeakPolarHBondContact O-CA 3.5Å; V455-Y470 HydrophobicContact CB-CE1 4.38Å; V455-Y470 HydrophobicContact CG2-CD1 4.22Å; V455-Y470 HydrophobicContact CG2-CE1 3.76Å; G468-Y470 VanDerWaalsContact C-CE2 3.48Å; G468-Y470 WeakPolarHBondContact O-CD2 3.37Å; G468-Y470 VanDerWaalsContact O-CE2 3.23Å; G468-Y470 WeakPolarHBondContact O-CE2 3.18Å; Y470-N472 PolarHBondContact O-N 3.07Å |
| 471 | T | 97.6 | Very high | 86.9 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 127.9 | 172.8 | -57.4 | 0 | 0 | 0 | 0 | 109.5 | D341 I342 G453 I454 V473 F476 | D341-T471 PolarHBondContact O-OG1 2.91Å; I342-T471 HydrophobicContact CB-CG2 4.21Å; G453-T471 VanDerWaalsContact CA-O 3.3Å; G453-T471 WeakPolarHBondContact CA-O 3.24Å; I454-T471 PolarHBondContact N-O 3.19Å; I454-T471 VanDerWaalsContact N-O 3.16Å; I454-T471 PolarHBondContact O-N 2.93Å; T471-V473 PolarHBondContact O-N 3.11Å; T471-V473 VanDerWaalsContact O-N 3.09Å; T471-F476 HydrophobicContact CG2-CD2 3.92Å; T471-F476 HydrophobicContact CG2-CE2 3.38Å; T471-F476 HydrophobicContact CG2-CZ 4.15Å |
| 472 | N | 97.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 92.3 | -176.9 | -175.9 | -17.1 | 0 | 0 | 0 | 110.9 | S370 K418 A419 F421 Y470 A474 M475 F476 | S370-N472 PolarHBondContact OG-ND2 3.07Å; K418-N472 PolarHBondContact O-ND2 2.89Å; A419-N472 WeakPolarHBondContact O-CB 3.45Å; A419-N472 PolarHBondContact O-N 3.32Å; F421-N472 HydrophobicContact CD1-CB 3.97Å; F421-N472 HydrophobicContact CE1-CB 4.36Å; Y470-N472 PolarHBondContact O-N 3.07Å; N472-A474 PolarHBondContact O-N 3.19Å; N472-M475 HydrophobicContact CB-CG 4.41Å; N472-M475 PolarHBondContact O-N 2.84Å; N472-F476 VanDerWaalsContact O-CD2 3.23Å; N472-F476 WeakPolarHBondContact O-CD2 3.28Å |
| 473 | V | 97.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -59.8 | -32.9 | -170.6 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | M288 P364 Q451 A452 I454 T471 M475 F476 Y480 | M288-V473 HydrophobicContact CE-CG1 3.97Å; M288-V473 HydrophobicContact SD-CG1 3.72Å; M288-V473 HydrophobicContact SD-CG2 4.3Å; P364-V473 HydrophobicContact CG-CB 3.96Å; P364-V473 HydrophobicContact CG-CG1 3.85Å; Q451-V473 WeakPolarHBondContact O-CB 3.37Å; A452-V473 PolarHBondContact O-N 3.24Å; I454-V473 HydrophobicContact CD1-CG2 3.96Å; I454-V473 HydrophobicContact CG1-CG2 3.69Å; T471-V473 PolarHBondContact O-N 3.11Å; T471-V473 VanDerWaalsContact O-N 3.09Å; V473-M475 VanDerWaalsContact C-N 3.26Å; V473-M475 PolarHBondContact O-N 3.16Å; V473-F476 PolarHBondContact O-N 3.11Å; V473-Y480 HydrophobicContact CG1-CE1 4.13Å |
| 474 | A | 96.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -61.8 | -34.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P364 P367 L369 N472 F476 S477 | P364-A474 HydrophobicContact CB-CB 4.01Å; P364-A474 HydrophobicContact CG-CB 3.91Å; P367-A474 WeakPolarHBondContact CA-O 3.17Å; L369-A474 HydrophobicContact CB-CB 4.11Å; N472-A474 PolarHBondContact O-N 3.19Å; A474-F476 PolarHBondContact O-N 3.37Å; A474-S477 PolarHBondContact O-N 2.92Å; A474-S477 PolarHBondContact O-OG 2.84Å |
| 475 | M | 96.2 | Very high | 93.1 | Very high | 86 Ų | 86 | 36.9 Ų | 36.9 | 42% | 0.424 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -69.5 | -12.3 | 176.1 | -72 | -166.5 | 61.1 | 0 | 0 | 114.2 | K418 N472 V473 | K418-M475 HydrophobicContact CB-CE 4.3Å; K418-M475 HydrophobicContact CB-SD 4.07Å; N472-M475 HydrophobicContact CB-CG 4.41Å; N472-M475 PolarHBondContact O-N 2.84Å; V473-M475 VanDerWaalsContact C-N 3.26Å; V473-M475 PolarHBondContact O-N 3.16Å |
| 476 | F | 97.7 | Very high | 94.3 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.035 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -105.7 | 10.7 | 178.6 | -62.2 | -80.8 | 0 | 0 | 0 | 113.2 | H330 N340 I342 A419 T471 N472 V473 A474 D478 W479 Y480 | H330-F476 AromaticContact CD2-CD1 3.61Å; H330-F476 AromaticContact CD2-CE1 3.66Å; H330-F476 AromaticContact NE2-CD1 3.69Å; H330-F476 AromaticContact NE2-CE1 3.57Å; N340-F476 HydrophobicContact CB-CE1 3.96Å; N340-F476 HydrophobicContact CB-CZ 3.95Å; N340-F476 WeakPolarHBondContact OD1-CZ 3.43Å; I342-F476 HydrophobicContact CD1-CB 4.07Å; I342-F476 HydrophobicContact CD1-CD2 4.39Å; I342-F476 HydrophobicContact CD1-CG 4.22Å; I342-F476 HydrophobicContact CG2-CD1 3.84Å; I342-F476 HydrophobicContact CG2-CD2 4.33Å; I342-F476 HydrophobicContact CG2-CE1 3.96Å; I342-F476 HydrophobicContact CG2-CE2 4.46Å; I342-F476 HydrophobicContact CG2-CG 4.04Å; I342-F476 HydrophobicContact CG2-CZ 4.28Å; A419-F476 HydrophobicContact CB-CE2 3.98Å; A419-F476 HydrophobicContact CB-CZ 3.73Å; T471-F476 HydrophobicContact CG2-CD2 3.92Å; T471-F476 HydrophobicContact CG2-CE2 3.38Å; T471-F476 HydrophobicContact CG2-CZ 4.15Å; N472-F476 VanDerWaalsContact O-CD2 3.23Å; N472-F476 WeakPolarHBondContact O-CD2 3.28Å; V473-F476 PolarHBondContact O-N 3.11Å; A474-F476 PolarHBondContact O-N 3.37Å; F476-D478 VanDerWaalsContact C-N 3.26Å; F476-D478 PolarHBondContact O-N 3.22Å; F476-W479 HydrophobicContact CB-CE3 4.26Å; F476-W479 PolarHBondContact O-N 2.81Å; F476-W479 VanDerWaalsContact O-N 3.16Å; F476-Y480 HydrophobicContact CB-CD1 4.38Å; F476-Y480 WeakPolarHBondContact O-CD1 3.36Å; F476-Y480 PolarHBondContact O-N 2.82Å |
| 477 | S | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -47 | -49.7 | 180 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | P367 A474 Y480 S481 | P367-S477 WeakPolarHBondContact CD-OG 3.46Å; A474-S477 PolarHBondContact O-N 2.92Å; A474-S477 PolarHBondContact O-OG 2.84Å; S477-Y480 VanDerWaalsContact CA-CE1 3.44Å; S477-S481 WeakPolarHBondContact O-CB 3.49Å; S477-S481 PolarHBondContact O-N 3.47Å; S477-S481 PolarHBondContact O-OG 3.08Å |
| 478 | D | 95.7 | Very high | 95.8 | Very high | 117 Ų | 117 | 33.5 Ų | 33.5 | 63% | 0.626 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -75.7 | -35.6 | -171.9 | -53.7 | -2.9 | 0 | 0 | 0 | 110.2 | F476 S482 | F476-D478 VanDerWaalsContact C-N 3.26Å; F476-D478 PolarHBondContact O-N 3.22Å; D478-S482 WeakPolarHBondContact O-CB 3.34Å; D478-S482 PolarHBondContact O-N 3Å; D478-S482 VanDerWaalsContact O-N 3.09Å; D478-S482 PolarHBondContact O-OG 3.18Å |
| 479 | W | 97.6 | Very high | 96.2 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -55.8 | 175.3 | 171.6 | 75.3 | 0 | 0 | 0 | 111.6 | V328 H330 I342 L344 F476 S481 S482 V483 | V328-W479 HydrophobicContact CG1-CZ2 4.21Å; H330-W479 HydrophobicContact CB-CH2 4.33Å; H330-W479 HydrophobicContact CB-CZ2 3.98Å; H330-W479 AromaticContact CD2-CD1 3.79Å; H330-W479 AromaticContact CD2-CD2 3.55Å; H330-W479 AromaticContact CD2-CE2 3.63Å; H330-W479 AromaticContact CD2-CG 3.64Å; H330-W479 AromaticContact CD2-NE1 3.78Å; I342-W479 HydrophobicContact CB-CZ3 4.41Å; I342-W479 HydrophobicContact CD1-CE3 4.31Å; I342-W479 HydrophobicContact CD1-CZ3 3.78Å; I342-W479 HydrophobicContact CG1-CH2 4.32Å; I342-W479 HydrophobicContact CG1-CZ3 3.75Å; I342-W479 HydrophobicContact CG2-CE3 4.3Å; I342-W479 HydrophobicContact CG2-CH2 4.25Å; I342-W479 HydrophobicContact CG2-CZ3 3.88Å; L344-W479 HydrophobicContact CB-CH2 4.39Å; L344-W479 HydrophobicContact CD1-CE3 4.48Å; L344-W479 HydrophobicContact CD1-CH2 3.89Å; L344-W479 HydrophobicContact CD1-CZ2 4.44Å; L344-W479 HydrophobicContact CD1-CZ3 3.89Å; L344-W479 HydrophobicContact CG-CH2 3.66Å; L344-W479 HydrophobicContact CG-CZ3 3.79Å; F476-W479 HydrophobicContact CB-CE3 4.26Å; F476-W479 PolarHBondContact O-N 2.81Å; F476-W479 VanDerWaalsContact O-N 3.16Å; W479-S481 VanDerWaalsContact C-N 3.27Å; W479-S481 PolarHBondContact O-N 2.79Å; W479-S482 PolarHBondContact O-N 3.07Å; W479-S482 PolarHBondContact O-OG 3.09Å; W479-V483 PolarHBondContact O-N 3.31Å |
| 480 | Y | 97.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.6 | -33.9 | -177.7 | 69.1 | -114 | 0 | 0 | 0 | 111.3 | M288 V363 P364 V473 F476 S477 S482 V483 L484 | M288-Y480 HydrophobicContact CE-CD1 3.62Å; M288-Y480 HydrophobicContact CE-CE1 4.06Å; M288-Y480 HydrophobicContact CE-CG 4Å; V363-Y480 HydrophobicContact CG2-CE2 4.09Å; P364-Y480 PolarHBondContact O-OH 3.02Å; V473-Y480 HydrophobicContact CG1-CE1 4.13Å; F476-Y480 HydrophobicContact CB-CD1 4.38Å; F476-Y480 WeakPolarHBondContact O-CD1 3.36Å; F476-Y480 PolarHBondContact O-N 2.82Å; S477-Y480 VanDerWaalsContact CA-CE1 3.44Å; Y480-S482 PolarHBondContact O-N 2.94Å; Y480-V483 PolarHBondContact O-N 3.04Å; Y480-V483 VanDerWaalsContact O-N 3.11Å; Y480-L484 HydrophobicContact CD2-CD1 3.94Å; Y480-L484 VanDerWaalsContact O-CG 3.3Å; Y480-L484 WeakPolarHBondContact O-CG 3.37Å; Y480-L484 PolarHBondContact O-N 3.37Å |
| 481 | S | 95.8 | Very high | 96.3 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 47% | 0.469 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68 | -18.7 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 113.8 | S477 W479 | S477-S481 WeakPolarHBondContact O-CB 3.49Å; S477-S481 PolarHBondContact O-N 3.47Å; S477-S481 PolarHBondContact O-OG 3.08Å; W479-S481 VanDerWaalsContact C-N 3.27Å; W479-S481 PolarHBondContact O-N 2.79Å |
| 482 | S | 96.3 | Very high | 96.2 | Very high | 93 Ų | 93 | 43.3 Ų | 43.3 | 65% | 0.65 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -86.1 | -11.3 | 172.4 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | D478 W479 Y480 | D478-S482 WeakPolarHBondContact O-CB 3.34Å; D478-S482 PolarHBondContact O-N 3Å; D478-S482 VanDerWaalsContact O-N 3.09Å; D478-S482 PolarHBondContact O-OG 3.18Å; W479-S482 PolarHBondContact O-N 3.07Å; W479-S482 PolarHBondContact O-OG 3.09Å; Y480-S482 PolarHBondContact O-N 2.94Å |
| 483 | V | 95.9 | Very high | 96.1 | Very high | 37 Ų | 37 | 46.3 Ų | 46.3 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -103.3 | -31.5 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 112.5 | W286 V328 L344 W479 Y480 | W286-V483 HydrophobicContact CH2-CG1 3.69Å; W286-V483 HydrophobicContact CZ2-CG1 4.22Å; W286-V483 WeakPolarHBondContact CZ2-O 3.17Å; W286-V483 HydrophobicContact CZ3-CG1 4.07Å; V328-V483 HydrophobicContact CB-CG1 4.24Å; V328-V483 HydrophobicContact CG1-CG1 4.08Å; V328-V483 HydrophobicContact CG1-CG2 4.23Å; V328-V483 HydrophobicContact CG2-CG1 4.08Å; L344-V483 HydrophobicContact CD1-CB 3.72Å; L344-V483 HydrophobicContact CD1-CG1 3.64Å; L344-V483 HydrophobicContact CD1-CG2 4.31Å; W479-V483 PolarHBondContact O-N 3.31Å; Y480-V483 PolarHBondContact O-N 3.04Å; Y480-V483 VanDerWaalsContact O-N 3.11Å |
| 484 | L | 90.6 | Very high | 95.9 | Very high | 108 Ų | 108 | 50.5 Ų | 50.5 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | trans | -68.2 | 0 | 179.9 | -74.2 | 178.4 | 0 | 0 | 0 | 113.5 | I282 W286 Y480 | I282-L484 HydrophobicContact CD1-CD1 4.13Å; I282-L484 HydrophobicContact CD1-CD2 3.97Å; I282-L484 HydrophobicContact CD1-CG 4.45Å; I282-L484 HydrophobicContact CG1-CD2 4.45Å; W286-L484 HydrophobicContact CB-CD2 3.53Å; W286-L484 HydrophobicContact CD2-CD2 3.9Å; W286-L484 HydrophobicContact CG-CD2 3.3Å; Y480-L484 HydrophobicContact CD2-CD1 3.94Å; Y480-L484 VanDerWaalsContact O-CG 3.3Å; Y480-L484 WeakPolarHBondContact O-CG 3.37Å; Y480-L484 PolarHBondContact O-N 3.37Å |
Retrieved 484 of 484 residues in 198.9 ms
(Link to these results)