| 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 | 51.9 | Low | 76 | Confident | 233 Ų | 233 | 98.6 Ų | 98.6 | 100% | 1.148 | 54% | 0.539 | S | S | * | . | 0 | 136.6 | 0 | -71.9 | -168.6 | -160.1 | 0 | 0 | 108.3 | Y3 | M1-Y3 PolarHBondContact O-N 3.23Š| |||
| 2 | N | 66.4 | Low | 77.1 | Confident | 158 Ų | 158 | 99.3 Ų | 99.3 | 85% | 0.845 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 122.1 | 173.2 | -93.9 | -5.4 | 0 | 0 | 0 | 108.6 | M4 | N2-M4 PolarHBondContact O-N 3.38Š|
| 3 | Y | 72.7 | Confident | 78.1 | Confident | 202 Ų | 202 | 93.7 Ų | 93.7 | 79% | 0.792 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 116.2 | 169.1 | 174.6 | -100.7 | 0 | 0 | 0 | 108.8 | M1 P5 | M1-Y3 PolarHBondContact O-N 3.23Å; Y3-P5 HydrophobicContact CD1-CB 4.44Å; Y3-P5 HydrophobicContact CE1-CB 3.92Å |
| 4 | M | 72.1 | Confident | 79.1 | Confident | 102 Ų | 102 | 91.6 Ų | 91.6 | 50% | 0.502 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 117.2 | 170.4 | -73.8 | -152.9 | 147.7 | 0 | 0 | 108.6 | N2 A8 | N2-M4 PolarHBondContact O-N 3.38Å; M4-A8 HydrophobicContact CB-CB 3.84Å; M4-A8 HydrophobicContact SD-CB 4.11Å |
| 5 | P | 76.9 | Confident | 80.1 | Confident | 92 Ų | 92 | 91.9 Ų | 91.9 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 145.7 | -175.9 | 29.7 | -34.4 | 0 | 0 | 0 | 112.1 | Y3 | Y3-P5 HydrophobicContact CD1-CB 4.44Å; Y3-P5 HydrophobicContact CE1-CB 3.92Å |
| 6 | G | 79.1 | Confident | 81 | Confident | 52 Ų | 52 | 90.4 Ų | 90.4 | 54% | 0.536 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | 65 | -141.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | A8 S9 | G6-A8 PolarHBondContact O-N 3.42Å; G6-S9 WeakPolarHBondContact O-CB 3.5Å; G6-S9 PolarHBondContact O-N 3.02Å; G6-S9 PolarHBondContact O-OG 3.48Å |
| 7 | T | 79.5 | Confident | 81.8 | Confident | 44 Ų | 44 | 88.5 Ų | 88.5 | 27% | 0.27 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -58.7 | -21.9 | -175.4 | -42.7 | 0 | 0 | 0 | 0 | 114 | S9 L10 D36 Q37 A39 | T7-S9 PolarHBondContact O-N 3.44Å; T7-L10 HydrophobicContact CG2-CD1 4.23Å; T7-L10 WeakPolarHBondContact O-CB 3.46Å; T7-L10 PolarHBondContact O-N 2.92Å; T7-L10 VanDerWaalsContact O-N 3.09Å; T7-D36 WeakPolarHBondContact CG2-O 3.46Å; T7-Q37 PolarHBondContact OG1-O 2.97Å; T7-A39 HydrophobicContact CG2-CB 4.47Å |
| 8 | A | 80 | Confident | 82.5 | Confident | 34 Ų | 34 | 83.7 Ų | 83.7 | 28% | 0.281 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -64.9 | -23.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M4 G6 L10 I11 | M4-A8 HydrophobicContact CB-CB 3.84Å; M4-A8 HydrophobicContact SD-CB 4.11Å; G6-A8 PolarHBondContact O-N 3.42Å; A8-L10 VanDerWaalsContact C-N 3.26Å; A8-L10 PolarHBondContact O-N 3.48Å; A8-I11 WeakPolarHBondContact O-CG1 3.34Å; A8-I11 PolarHBondContact O-N 3.41Å |
| 9 | S | 84.4 | Confident | 83.2 | Confident | 49 Ų | 49 | 82.1 Ų | 82.1 | 34% | 0.343 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -67.1 | -28.7 | 173.3 | 72 | 0 | 0 | 0 | 0 | 112.6 | G6 T7 I11 D12 | G6-S9 WeakPolarHBondContact O-CB 3.5Å; G6-S9 PolarHBondContact O-N 3.02Å; G6-S9 PolarHBondContact O-OG 3.48Å; T7-S9 PolarHBondContact O-N 3.44Å; S9-I11 PolarHBondContact O-N 3.01Å; S9-D12 PolarHBondContact O-N 3Å |
| 10 | L | 85.1 | Confident | 83.8 | Confident | 26 Ų | 26 | 78 Ų | 78 | 14% | 0.136 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -73.5 | -9.1 | -177.7 | -61.2 | 177.8 | 0 | 0 | 0 | 113 | T7 A8 D12 D13 I35 L74 | T7-L10 HydrophobicContact CG2-CD1 4.23Å; T7-L10 WeakPolarHBondContact O-CB 3.46Å; T7-L10 PolarHBondContact O-N 2.92Å; T7-L10 VanDerWaalsContact O-N 3.09Å; A8-L10 VanDerWaalsContact C-N 3.26Å; A8-L10 PolarHBondContact O-N 3.48Å; L10-D12 PolarHBondContact O-N 3.01Å; L10-D13 WeakPolarHBondContact O-CB 3.43Å; L10-D13 PolarHBondContact O-N 3.39Å; L10-D13 VanDerWaalsContact O-N 3.12Å; L10-I35 VanDerWaalsContact C-CD1 3.44Å; L10-I35 HydrophobicContact CB-CD1 3.5Å; L10-I35 HydrophobicContact CB-CG2 4.46Å; L10-L74 HydrophobicContact CD2-CD2 3.68Å |
| 11 | I | 87.9 | Confident | 84.3 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 48% | 0.477 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -64.1 | -37.2 | 175.1 | -63.1 | 171.8 | 0 | 0 | 0 | 110 | A8 S9 D13 I14 I35 | A8-I11 WeakPolarHBondContact O-CG1 3.34Å; A8-I11 PolarHBondContact O-N 3.41Å; S9-I11 PolarHBondContact O-N 3.01Å; I11-D13 PolarHBondContact O-N 3.49Å; I11-I14 HydrophobicContact CG2-CD1 4.45Å; I11-I14 WeakPolarHBondContact O-CG1 3.23Å; I11-I14 PolarHBondContact O-N 3.33Å; I11-I35 HydrophobicContact CG1-CD1 3.97Å |
| 12 | D | 88.8 | Confident | 86.3 | Confident | 107 Ų | 107 | 66 Ų | 66 | 57% | 0.572 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -71.2 | -10.5 | 177.5 | -66 | -26.9 | 0 | 0 | 0 | 112.4 | S9 L10 K16 | S9-D12 PolarHBondContact O-N 3Å; L10-D12 PolarHBondContact O-N 3.01Å; D12-K16 WeakPolarHBondContact O-CE 3.43Å; D12-K16 PolarHBondContact O-NZ 3.46Å |
| 13 | D | 90.3 | Very high | 87.6 | Confident | 26 Ų | 26 | 65 Ų | 65 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -98.6 | -1.3 | -176.4 | -73.3 | -29 | 0 | 0 | 0 | 113.4 | L10 I11 K16 H18 L32 | L10-D13 WeakPolarHBondContact O-CB 3.43Å; L10-D13 PolarHBondContact O-N 3.39Å; L10-D13 VanDerWaalsContact O-N 3.12Å; I11-D13 PolarHBondContact O-N 3.49Å; D13-K16 PolarHBondContact O-N 3.17Å; D13-K16 IonicContact OD1-NZ 3.63Å; D13-K16 PolarHBondContact OD1-NZ 3.2Å; D13-H18 VanDerWaalsContact CB-CE1 3.41Å; D13-H18 WeakPolarHBondContact CB-CE1 3.36Å; D13-H18 PolarHBondContact O-CE1 3.41Å; D13-H18 IonicContact OD1-CE1 2.77Å; D13-H18 IonicContact OD1-NE2 3.71Å; D13-H18 IonicContact OD2-NE2 3.63Å; D13-L32 HydrophobicContact CB-CD2 4.13Å |
| 14 | I | 92.7 | Very high | 88.2 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 33% | 0.333 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 141.8 | 173.4 | -63.3 | 173.8 | 0 | 0 | 0 | 109.9 | I11 K16 | I11-I14 HydrophobicContact CG2-CD1 4.45Å; I11-I14 WeakPolarHBondContact O-CG1 3.23Å; I11-I14 PolarHBondContact O-N 3.33Å; I14-K16 PolarHBondContact O-N 3.02Å; I14-K16 VanDerWaalsContact O-N 3.1Å |
| 15 | D | 93.9 | Very high | 89 | Confident | 96 Ų | 96 | 57.9 Ų | 57.9 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 3.4 | -178.4 | -62.1 | -30.7 | 0 | 0 | 0 | 115.9 | L32 R33 | D15-L32 WeakPolarHBondContact CA-O 3.4Å; D15-L32 PolarHBondContact N-O 3Å; D15-R33 WeakPolarHBondContact OD1-CD 3.41Å; D15-R33 IonicContact OD1-CZ 3.52Å; D15-R33 IonicContact OD1-NE 3.53Å; D15-R33 IonicContact OD1-NH1 3.57Å; D15-R33 PolarHBondContact OD1-NH1 3.33Å |
| 16 | K | 94.2 | Very high | 89.8 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 29% | 0.291 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -93.7 | 156.2 | 172.1 | -50.8 | -174.2 | -166.4 | 152.4 | 0 | 112.1 | D12 D13 I14 H18 L32 E76 | D12-K16 WeakPolarHBondContact O-CE 3.43Å; D12-K16 PolarHBondContact O-NZ 3.46Å; D13-K16 PolarHBondContact O-N 3.17Å; D13-K16 IonicContact OD1-NZ 3.63Å; D13-K16 PolarHBondContact OD1-NZ 3.2Å; I14-K16 PolarHBondContact O-N 3.02Å; I14-K16 VanDerWaalsContact O-N 3.1Å; K16-H18 PolarHBondContact O-ND1 3.42Å; K16-L32 PolarHBondContact O-N 2.95Å; K16-L32 VanDerWaalsContact O-N 3.08Å; K16-E76 HydrophobicContact CB-CG 4.32Å; K16-E76 HydrophobicContact CD-CG 3.93Å; K16-E76 WeakPolarHBondContact CD-OE1 3.39Å; K16-E76 VanDerWaalsContact CD-OE2 3.31Å; K16-E76 WeakPolarHBondContact CD-OE2 3.31Å; K16-E76 IonicContact NZ-OE1 2.97Å; K16-E76 IonicContact NZ-OE2 3.96Å; K16-E76 PolarHBondContact NZ-OE2 3.13Å |
| 17 | K | 94.4 | Very high | 90.5 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 131.7 | 176.7 | -164.6 | 177.6 | -173.2 | 177.4 | 0 | 109.9 | I29 G30 F31 I77 M79 | K17-I29 HydrophobicContact CD-CG2 4.46Å; K17-I29 VanDerWaalsContact CE-CG2 3.5Å; K17-I29 HydrophobicContact CG-CG2 4.35Å; K17-G30 CarbonylContact C-O 3.58Å; K17-G30 WeakPolarHBondContact CA-O 3.42Å; K17-F31 HydrophobicContact CB-CD1 4.19Å; K17-F31 HydrophobicContact CB-CE1 3.95Å; K17-F31 HydrophobicContact CB-CZ 4.4Å; K17-F31 HydrophobicContact CD-CZ 4.45Å; K17-I77 HydrophobicContact CB-CB 4.44Å; K17-I77 HydrophobicContact CD-CD1 4.49Å; K17-I77 HydrophobicContact CG-CB 4.39Å; K17-I77 HydrophobicContact CG-CD1 4.25Å; K17-I77 PolarHBondContact O-N 2.96Å; K17-M79 HydrophobicContact CD-SD 3.44Å; K17-M79 WeakPolarHBondContact CD-SD 3.37Å |
| 18 | H | 94.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.4 | -176.7 | -76.8 | 81.9 | 0 | 0 | 0 | 111.7 | D13 K16 I29 G30 F43 L74 G75 E76 | D13-H18 VanDerWaalsContact CB-CE1 3.41Å; D13-H18 WeakPolarHBondContact CB-CE1 3.36Å; D13-H18 PolarHBondContact O-CE1 3.41Å; D13-H18 IonicContact OD1-CE1 2.77Å; D13-H18 IonicContact OD1-NE2 3.71Å; D13-H18 IonicContact OD2-NE2 3.63Å; K16-H18 PolarHBondContact O-ND1 3.42Å; H18-I29 VanDerWaalsContact O-CA 3.32Å; H18-I29 WeakPolarHBondContact O-CA 3.41Å; H18-G30 PolarHBondContact N-O 3.45Å; H18-G30 PolarHBondContact O-N 3.25Å; H18-F43 HydrophobicContact CB-CE1 3.92Å; H18-F43 HydrophobicContact CB-CZ 4.36Å; H18-L74 HydrophobicContact CB-CG 4.46Å; H18-L74 WeakPolarHBondContact CD2-CD2 3.43Å; H18-G75 CarbonylContact C-O 3.53Å; H18-G75 WeakPolarHBondContact CA-O 3.41Å; H18-G75 VanDerWaalsContact CD2-C 3.47Å; H18-E76 VanDerWaalsContact CD2-CA 3.45Å; H18-E76 WeakPolarHBondContact CD2-CA 3.41Å; H18-E76 PolarHBondContact CD2-N 2.85Å |
| 19 | L | 94.9 | Very high | 92.1 | Very high | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.277 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132 | 165 | -174.7 | 148.3 | 0 | 0 | 0 | 108.8 | T27 L28 I29 L73 L74 G75 I77 | L19-T27 HydrophobicContact CD1-CG2 3.75Å; L19-T27 HydrophobicContact CD2-CG2 3.86Å; L19-T27 HydrophobicContact CG-CG2 3.63Å; L19-L28 CarbonylContact C-O 3.55Å; L19-L28 WeakPolarHBondContact CA-O 3.23Å; L19-I29 HydrophobicContact CB-CG1 4.43Å; L19-I29 HydrophobicContact CD1-CD1 4.32Å; L19-I29 HydrophobicContact CD1-CG1 4.24Å; L19-I29 HydrophobicContact CG-CG1 4.25Å; L19-L73 HydrophobicContact CD2-CD1 4.26Å; L19-L74 WeakPolarHBondContact O-CA 3.48Å; L19-G75 PolarHBondContact N-O 3.39Å; L19-G75 PolarHBondContact O-N 3.02Å; L19-I77 HydrophobicContact CB-CD1 3.9Å; L19-I77 HydrophobicContact CB-CG1 4.1Å |
| 20 | V | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.1 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | L22 T27 L28 L41 F43 V71 L73 L74 | V20-L22 HydrophobicContact CG1-CD2 3.93Å; V20-T27 WeakPolarHBondContact O-CA 3.45Å; V20-L28 HydrophobicContact CB-CB 4.49Å; V20-L28 PolarHBondContact N-O 3.46Å; V20-L28 PolarHBondContact O-N 3.04Å; V20-L41 HydrophobicContact CG2-CD1 4.24Å; V20-F43 HydrophobicContact CG2-CE1 4.28Å; V20-F43 HydrophobicContact CG2-CE2 3.55Å; V20-F43 HydrophobicContact CG2-CZ 3.3Å; V20-V71 HydrophobicContact CG1-CG1 4.07Å; V20-V71 HydrophobicContact CG1-CG2 4.28Å; V20-L73 WeakPolarHBondContact CA-O 3.29Å; V20-L74 HydrophobicContact CG2-CB 4.37Å; V20-L74 HydrophobicContact CG2-CD1 3.87Å; V20-L74 HydrophobicContact CG2-CG 4.18Å |
| 21 | L | 95.4 | Very high | 93.1 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.9 | 168.8 | -171.7 | 65.4 | 0 | 0 | 0 | 109 | V72 L73 | L21-V72 HydrophobicContact CB-CB 4.46Å; L21-V72 HydrophobicContact CD2-CB 4.48Å; L21-V72 HydrophobicContact CD2-CG1 4.31Å; L21-V72 HydrophobicContact CG-CB 4.47Å; L21-V72 WeakPolarHBondContact O-CB 3.31Å; L21-V72 PolarHBondContact O-N 3.43Å; L21-L73 HydrophobicContact CB-CD1 4.18Å; L21-L73 HydrophobicContact CB-CD2 4.17Å; L21-L73 HydrophobicContact CB-CG 3.73Å; L21-L73 HydrophobicContact CD2-CD2 3.85Å; L21-L73 HydrophobicContact CD2-CG 4.33Å; L21-L73 PolarHBondContact N-O 3.32Å |
| 22 | L | 94.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 160.9 | 176.2 | -59.8 | -175.2 | 0 | 0 | 0 | 111.6 | V20 D24 G25 R26 L28 V66 N70 | V20-L22 HydrophobicContact CG1-CD2 3.93Å; L22-D24 WeakPolarHBondContact CB-OD1 3.46Å; L22-D24 PolarHBondContact O-N 3.48Å; L22-G25 WeakPolarHBondContact O-CA 3.48Å; L22-G25 PolarHBondContact O-N 3.35Å; L22-R26 HydrophobicContact CB-CB 4.47Å; L22-R26 HydrophobicContact CD1-CB 4.3Å; L22-R26 PolarHBondContact N-O 3.37Å; L22-L28 HydrophobicContact CD1-CD1 3.89Å; L22-L28 HydrophobicContact CD1-CG 4.26Å; L22-L28 HydrophobicContact CG-CD1 4.43Å; L22-V66 HydrophobicContact CD2-CG1 3.51Å; L22-N70 CarbonylContact C-O 3.57Å; L22-N70 VanDerWaalsContact CA-O 3.25Å; L22-N70 WeakPolarHBondContact CA-O 3.29Å |
| 23 | R | 91.7 | Very high | 93.8 | Very high | 136 Ų | 136 | 46.8 Ų | 46.8 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.4 | 178.5 | -173.8 | -175.6 | -64.8 | -93 | -2.7 | 113.3 | G25 E69 N70 V72 L130 | R23-G25 PolarHBondContact O-N 3.12Å; R23-E69 PolarHBondContact NE-O 2.87Å; R23-E69 PolarHBondContact NH2-O 2.82Å; R23-N70 PolarHBondContact N-O 3.01Å; R23-V72 HydrophobicContact CB-CG2 4.21Å; R23-L130 HydrophobicContact CG-CD1 4.42Å |
| 24 | D | 86.9 | Confident | 94 | Very high | 101 Ų | 101 | 48.5 Ų | 48.5 | 54% | 0.54 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 0.6 | 174.6 | 63.4 | 7.7 | 0 | 0 | 0 | 113.3 | L22 R26 | L22-D24 WeakPolarHBondContact CB-OD1 3.46Å; L22-D24 PolarHBondContact O-N 3.48Å; D24-R26 VanDerWaalsContact C-N 3.34Å; D24-R26 VanDerWaalsContact CG-CD 3.41Å; D24-R26 VanDerWaalsContact OD1-CB 3.29Å; D24-R26 WeakPolarHBondContact OD1-CB 3.32Å; D24-R26 WeakPolarHBondContact OD1-CD 3.38Å; D24-R26 VanDerWaalsContact OD1-CG 3.3Å; D24-R26 WeakPolarHBondContact OD1-CG 3.34Å; D24-R26 PolarHBondContact OD1-N 3.01Å; D24-R26 WeakPolarHBondContact OD2-CD 3.26Å; D24-R26 IonicContact OD2-NH1 2.82Å |
| 25 | G | 89 | Confident | 94.1 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 55% | 0.546 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 84.8 | 2.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L22 R23 | L22-G25 WeakPolarHBondContact O-CA 3.48Å; L22-G25 PolarHBondContact O-N 3.35Å; R23-G25 PolarHBondContact O-N 3.12Å |
| 26 | R | 91.9 | Very high | 94.1 | Very high | 72 Ų | 72 | 44.8 Ų | 44.8 | 27% | 0.272 | 22% | 0.224 | S | C | . | . | trans | -73.8 | 144.7 | 175.8 | -63.8 | 164.2 | 74.3 | -162.9 | -3.7 | 110.8 | L22 D24 E48 | L22-R26 HydrophobicContact CB-CB 4.47Å; L22-R26 HydrophobicContact CD1-CB 4.3Å; L22-R26 PolarHBondContact N-O 3.37Å; D24-R26 VanDerWaalsContact C-N 3.34Å; D24-R26 VanDerWaalsContact CG-CD 3.41Å; D24-R26 VanDerWaalsContact OD1-CB 3.29Å; D24-R26 WeakPolarHBondContact OD1-CB 3.32Å; D24-R26 WeakPolarHBondContact OD1-CD 3.38Å; D24-R26 VanDerWaalsContact OD1-CG 3.3Å; D24-R26 WeakPolarHBondContact OD1-CG 3.34Å; D24-R26 PolarHBondContact OD1-N 3.01Å; D24-R26 WeakPolarHBondContact OD2-CD 3.26Å; D24-R26 IonicContact OD2-NH1 2.82Å; R26-E48 IonicContact CZ-OE1 3.11Å; R26-E48 IonicContact CZ-OE2 3.51Å; R26-E48 VanDerWaalsContact NE-CD 3.34Å; R26-E48 IonicContact NE-OE1 3.65Å; R26-E48 PolarHBondContact NE-OE1 3.23Å; R26-E48 IonicContact NE-OE2 2.73Å; R26-E48 IonicContact NH2-OE1 3.51Å; R26-E48 IonicContact NH2-OE2 3.41Å; R26-E48 PolarHBondContact NH2-OE2 3.27Å | ||
| 27 | T | 95.1 | Very high | 93.8 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 121.2 | 175 | -55.8 | 0 | 0 | 0 | 0 | 109.4 | L19 V20 E48 R49 | L19-T27 HydrophobicContact CD1-CG2 3.75Å; L19-T27 HydrophobicContact CD2-CG2 3.86Å; L19-T27 HydrophobicContact CG-CG2 3.63Å; V20-T27 WeakPolarHBondContact O-CA 3.45Å; T27-E48 CarbonylContact O-C 3.5Å; T27-E48 WeakPolarHBondContact O-CA 3.24Å; T27-R49 WeakPolarHBondContact CB-O 3.1Å; T27-R49 PolarHBondContact O-N 3.39Å |
| 28 | L | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.1 | 174.6 | -61.6 | -179.4 | 0 | 0 | 0 | 109.8 | L19 V20 L22 T46 E48 F64 V66 | L19-L28 CarbonylContact C-O 3.55Å; L19-L28 WeakPolarHBondContact CA-O 3.23Å; V20-L28 HydrophobicContact CB-CB 4.49Å; V20-L28 PolarHBondContact N-O 3.46Å; V20-L28 PolarHBondContact O-N 3.04Å; L22-L28 HydrophobicContact CD1-CD1 3.89Å; L22-L28 HydrophobicContact CD1-CG 4.26Å; L22-L28 HydrophobicContact CG-CD1 4.43Å; L28-T46 HydrophobicContact CB-CG2 4.05Å; L28-T46 HydrophobicContact CD1-CG2 4.49Å; L28-T46 HydrophobicContact CD2-CG2 4.18Å; L28-T46 HydrophobicContact CG-CG2 4.48Å; L28-E48 HydrophobicContact CD2-CB 3.75Å; L28-E48 HydrophobicContact CD2-CG 4.03Å; L28-F64 HydrophobicContact CD1-CD1 3.57Å; L28-F64 HydrophobicContact CD1-CE1 3.59Å; L28-F64 HydrophobicContact CD1-CG 4.29Å; L28-F64 HydrophobicContact CD1-CZ 4.33Å; L28-V66 HydrophobicContact CD1-CG2 3.81Å |
| 29 | I | 95.8 | Very high | 93.3 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.062 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.2 | 175.8 | -62.4 | 173.2 | 0 | 0 | 0 | 107.8 | K17 H18 L19 T46 V47 R49 I77 | K17-I29 HydrophobicContact CD-CG2 4.46Å; K17-I29 VanDerWaalsContact CE-CG2 3.5Å; K17-I29 HydrophobicContact CG-CG2 4.35Å; H18-I29 VanDerWaalsContact O-CA 3.32Å; H18-I29 WeakPolarHBondContact O-CA 3.41Å; L19-I29 HydrophobicContact CB-CG1 4.43Å; L19-I29 HydrophobicContact CD1-CD1 4.32Å; L19-I29 HydrophobicContact CD1-CG1 4.24Å; L19-I29 HydrophobicContact CG-CG1 4.25Å; I29-T46 CarbonylContact O-C 3.58Å; I29-T46 VanDerWaalsContact O-CA 3.29Å; I29-T46 WeakPolarHBondContact O-CA 3.32Å; I29-V47 PolarHBondContact N-O 2.94Å; I29-V47 PolarHBondContact O-N 2.83Å; I29-R49 HydrophobicContact CD1-CB 4.03Å; I29-I77 HydrophobicContact CB-CD1 4.5Å; I29-I77 HydrophobicContact CG1-CD1 4.27Å; I29-I77 HydrophobicContact CG2-CD1 3.59Å |
| 30 | G | 96.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K17 H18 | K17-G30 CarbonylContact C-O 3.58Å; K17-G30 WeakPolarHBondContact CA-O 3.42Å; H18-G30 PolarHBondContact N-O 3.45Å; H18-G30 PolarHBondContact O-N 3.25Å |
| 31 | F | 95.9 | Very high | 93.3 | Very high | 57 Ų | 57 | 52.8 Ų | 52.8 | 25% | 0.25 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122.6 | 173.9 | -68.1 | -87.6 | 0 | 0 | 0 | 110.1 | K17 R33 F43 H44 Q45 | K17-F31 HydrophobicContact CB-CD1 4.19Å; K17-F31 HydrophobicContact CB-CE1 3.95Å; K17-F31 HydrophobicContact CB-CZ 4.4Å; K17-F31 HydrophobicContact CD-CZ 4.45Å; F31-R33 PolarHBondContact O-N 2.89Å; F31-F43 WeakPolarHBondContact O-CA 3.28Å; F31-H44 PolarHBondContact N-O 3.31Å; F31-H44 PolarHBondContact O-N 2.89Å; F31-Q45 HydrophobicContact CD2-CB 4.23Å |
| 32 | L | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123 | 177.6 | -175.7 | 61.5 | 0 | 0 | 0 | 109 | D13 D15 K16 I35 L41 F43 | D13-L32 HydrophobicContact CB-CD2 4.13Å; D15-L32 WeakPolarHBondContact CA-O 3.4Å; D15-L32 PolarHBondContact N-O 3Å; K16-L32 PolarHBondContact O-N 2.95Å; K16-L32 VanDerWaalsContact O-N 3.08Å; L32-I35 HydrophobicContact CD1-CG2 3.79Å; L32-I35 HydrophobicContact CD2-CG2 3.77Å; L32-I35 HydrophobicContact CG-CG2 4.05Å; L32-L41 HydrophobicContact CD1-CB 3.98Å; L32-L41 HydrophobicContact CD1-CD2 4.12Å; L32-F43 HydrophobicContact CB-CD1 4.36Å; L32-F43 HydrophobicContact CB-CE1 3.82Å; L32-F43 HydrophobicContact CD1-CD1 4.47Å; L32-F43 HydrophobicContact CD1-CE1 3.9Å; L32-F43 HydrophobicContact CD1-CE2 4.37Å; L32-F43 HydrophobicContact CD1-CZ 3.84Å; L32-F43 HydrophobicContact CG-CE1 4.46Å |
| 33 | R | 95.6 | Very high | 93.4 | Very high | 107 Ų | 107 | 52 Ų | 52 | 40% | 0.404 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -31.3 | -178.5 | -65.9 | -56.5 | -173.1 | -172.9 | -3.7 | 113.5 | D15 F31 V42 H44 | D15-R33 WeakPolarHBondContact OD1-CD 3.41Å; D15-R33 IonicContact OD1-CZ 3.52Å; D15-R33 IonicContact OD1-NE 3.53Å; D15-R33 IonicContact OD1-NH1 3.57Å; D15-R33 PolarHBondContact OD1-NH1 3.33Å; F31-R33 PolarHBondContact O-N 2.89Å; R33-V42 PolarHBondContact N-O 2.86Å; R33-H44 HydrophobicContact CG-CB 3.64Å |
| 34 | S | 94.4 | Very high | 93.6 | Very high | 61 Ų | 61 | 48.6 Ų | 48.6 | 43% | 0.427 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 149.5 | -178.8 | -168.6 | 0 | 0 | 0 | 0 | 110.4 | V42 | S34-V42 PolarHBondContact O-N 3.44Å |
| 35 | I | 94.2 | Very high | 94.1 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 16% | 0.164 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.4 | 176.6 | 58.5 | 171.3 | 0 | 0 | 0 | 109 | L10 I11 L32 N40 L41 | L10-I35 VanDerWaalsContact C-CD1 3.44Å; L10-I35 HydrophobicContact CB-CD1 3.5Å; L10-I35 HydrophobicContact CB-CG2 4.46Å; I11-I35 HydrophobicContact CG1-CD1 3.97Å; L32-I35 HydrophobicContact CD1-CG2 3.79Å; L32-I35 HydrophobicContact CD2-CG2 3.77Å; L32-I35 HydrophobicContact CG-CG2 4.05Å; I35-N40 WeakPolarHBondContact CA-O 3.4Å; I35-L41 HydrophobicContact CB-CD2 4.48Å; I35-L41 HydrophobicContact CG2-CD2 3.61Å |
| 36 | D | 92.8 | Very high | 94.4 | Very high | 51 Ų | 51 | 47 Ų | 47 | 27% | 0.273 | 23% | 0.228 | S | C | . | . | trans | -121.9 | 177.3 | 166.1 | 74.7 | 6.1 | 0 | 0 | 0 | 111.5 | T7 F38 A39 N40 | T7-D36 WeakPolarHBondContact CG2-O 3.46Å; D36-F38 PolarHBondContact O-N 2.91Å; D36-F38 VanDerWaalsContact O-N 3.12Å; D36-F38 WeakPolarHBondContact OD1-CA 3.41Å; D36-F38 PolarHBondContact OD1-N 3.01Å; D36-A39 PolarHBondContact O-N 3.01Å; D36-A39 PolarHBondContact OD1-N 3.38Å; D36-A39 VanDerWaalsContact OD1-N 3.1Å; D36-N40 PolarHBondContact N-O 3.32Å; D36-N40 WeakPolarHBondContact OD1-CB 3.16Å; D36-N40 PolarHBondContact OD1-N 3.39Å; D36-N40 PolarHBondContact OD1-ND2 3.5Å; D36-N40 WeakPolarHBondContact OD2-CB 3.39Å; D36-N40 PolarHBondContact OD2-ND2 2.92Å | ||
| 37 | Q | 89.2 | Confident | 94.6 | Very high | 140 Ų | 140 | 45.5 Ų | 45.5 | 65% | 0.654 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.3 | -178.9 | 67.9 | -90.8 | 13.4 | 0 | 0 | 114.5 | T7 A39 | T7-Q37 PolarHBondContact OG1-O 2.97Å; Q37-A39 VanDerWaalsContact C-N 3.32Å |
| 38 | F | 89.6 | Confident | 94.6 | Very high | 140 Ų | 140 | 45.3 Ų | 45.3 | 61% | 0.614 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 7.7 | 178.4 | -56.7 | -68.8 | 0 | 0 | 0 | 112.5 | D36 N40 G68 | D36-F38 PolarHBondContact O-N 2.91Å; D36-F38 VanDerWaalsContact O-N 3.12Å; D36-F38 WeakPolarHBondContact OD1-CA 3.41Å; D36-F38 PolarHBondContact OD1-N 3.01Å; F38-N40 PolarHBondContact O-N 2.88Å; F38-G68 WeakPolarHBondContact O-CA 3.39Å |
| 39 | A | 89.6 | Confident | 94.5 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | trans | 60.1 | 31.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T7 D36 Q37 L41 G68 | T7-A39 HydrophobicContact CG2-CB 4.47Å; D36-A39 PolarHBondContact O-N 3.01Å; D36-A39 PolarHBondContact OD1-N 3.38Å; D36-A39 VanDerWaalsContact OD1-N 3.1Å; Q37-A39 VanDerWaalsContact C-N 3.32Å; A39-L41 WeakPolarHBondContact O-CD2 3.34Å; A39-L41 WeakPolarHBondContact O-CG 3.48Å; A39-L41 PolarHBondContact O-N 3.25Å; A39-G68 WeakPolarHBondContact O-CA 3.43Å | ||
| 40 | N | 93.6 | Very high | 94.4 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | trans | -69.4 | 127.8 | 162.2 | -62.6 | -50.1 | 0 | 0 | 0 | 108.4 | I35 D36 F38 V66 R67 G68 | I35-N40 WeakPolarHBondContact CA-O 3.4Å; D36-N40 PolarHBondContact N-O 3.32Å; D36-N40 WeakPolarHBondContact OD1-CB 3.16Å; D36-N40 PolarHBondContact OD1-N 3.39Å; D36-N40 PolarHBondContact OD1-ND2 3.5Å; D36-N40 WeakPolarHBondContact OD2-CB 3.39Å; D36-N40 PolarHBondContact OD2-ND2 2.92Å; F38-N40 PolarHBondContact O-N 2.88Å; N40-V66 CarbonylContact C-O 3.56Å; N40-V66 WeakPolarHBondContact CA-O 3.29Å; N40-R67 VanDerWaalsContact OD1-CA 3.29Å; N40-R67 WeakPolarHBondContact OD1-CA 3.19Å; N40-R67 WeakPolarHBondContact OD1-CG 3.49Å; N40-G68 PolarHBondContact OD1-N 2.81Å | ||
| 41 | L | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.5 | -169.7 | -48 | 176.3 | 0 | 0 | 0 | 110.4 | V20 L32 I35 A39 F43 I65 V66 V71 L74 | V20-L41 HydrophobicContact CG2-CD1 4.24Å; L32-L41 HydrophobicContact CD1-CB 3.98Å; L32-L41 HydrophobicContact CD1-CD2 4.12Å; I35-L41 HydrophobicContact CB-CD2 4.48Å; I35-L41 HydrophobicContact CG2-CD2 3.61Å; A39-L41 WeakPolarHBondContact O-CD2 3.34Å; A39-L41 WeakPolarHBondContact O-CG 3.48Å; A39-L41 PolarHBondContact O-N 3.25Å; L41-F43 HydrophobicContact CB-CD2 4.09Å; L41-F43 HydrophobicContact CB-CE2 3.54Å; L41-F43 HydrophobicContact CB-CZ 4.22Å; L41-F43 HydrophobicContact CD1-CE2 3.63Å; L41-F43 HydrophobicContact CD1-CZ 3.92Å; L41-F43 HydrophobicContact CG-CE2 4.23Å; L41-I65 WeakPolarHBondContact O-CA 3.3Å; L41-V66 HydrophobicContact CB-CB 4.3Å; L41-V66 PolarHBondContact N-O 3.05Å; L41-V66 PolarHBondContact O-N 3.03Å; L41-V71 HydrophobicContact CD1-CG2 3.88Å; L41-V71 HydrophobicContact CG-CG2 4.44Å; L41-L74 HydrophobicContact CD1-CD1 3.55Å; L41-L74 HydrophobicContact CD2-CD1 4.48Å |
| 42 | V | 96.3 | Very high | 93.9 | Very high | 45 Ų | 45 | 50.2 Ų | 50.2 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 116.7 | 169.7 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | R33 S34 I65 | R33-V42 PolarHBondContact N-O 2.86Å; S34-V42 PolarHBondContact O-N 3.44Å; V42-I65 HydrophobicContact CG2-CG1 4.38Å |
| 43 | F | 96.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 142.7 | 175.6 | -72.7 | -76.4 | 0 | 0 | 0 | 112 | H18 V20 F31 L32 L41 T46 I63 F64 V66 L74 | H18-F43 HydrophobicContact CB-CE1 3.92Å; H18-F43 HydrophobicContact CB-CZ 4.36Å; V20-F43 HydrophobicContact CG2-CE1 4.28Å; V20-F43 HydrophobicContact CG2-CE2 3.55Å; V20-F43 HydrophobicContact CG2-CZ 3.3Å; F31-F43 WeakPolarHBondContact O-CA 3.28Å; L32-F43 HydrophobicContact CB-CD1 4.36Å; L32-F43 HydrophobicContact CB-CE1 3.82Å; L32-F43 HydrophobicContact CD1-CD1 4.47Å; L32-F43 HydrophobicContact CD1-CE1 3.9Å; L32-F43 HydrophobicContact CD1-CE2 4.37Å; L32-F43 HydrophobicContact CD1-CZ 3.84Å; L32-F43 HydrophobicContact CG-CE1 4.46Å; L41-F43 HydrophobicContact CB-CD2 4.09Å; L41-F43 HydrophobicContact CB-CE2 3.54Å; L41-F43 HydrophobicContact CB-CZ 4.22Å; L41-F43 HydrophobicContact CD1-CE2 3.63Å; L41-F43 HydrophobicContact CD1-CZ 3.92Å; L41-F43 HydrophobicContact CG-CE2 4.23Å; F43-T46 HydrophobicContact CB-CG2 4.34Å; F43-T46 WeakPolarHBondContact CB-OG1 3.42Å; F43-I63 WeakPolarHBondContact O-CA 2.98Å; F43-F64 PolarHBondContact N-O 2.9Å; F43-F64 PolarHBondContact O-N 2.96Å; F43-V66 HydrophobicContact CD2-CG2 4.11Å; F43-V66 HydrophobicContact CE2-CG2 4.33Å; F43-L74 HydrophobicContact CZ-CD1 4.16Å |
| 44 | H | 96.3 | Very high | 93.2 | Very high | 64 Ų | 64 | 56 Ų | 56 | 30% | 0.296 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 149.2 | 172 | 178.7 | -96.8 | 0 | 0 | 0 | 110.4 | F31 R33 T46 | F31-H44 PolarHBondContact N-O 3.31Å; F31-H44 PolarHBondContact O-N 2.89Å; R33-H44 HydrophobicContact CG-CB 3.64Å; H44-T46 PolarHBondContact O-N 2.97Å |
| 45 | Q | 95.9 | Very high | 93 | Very high | 118 Ų | 118 | 55.2 Ų | 55.2 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.2 | 41 | -175.3 | -78.7 | 167.3 | -12 | 0 | 0 | 112 | F31 G62 | F31-Q45 HydrophobicContact CD2-CB 4.23Å; Q45-G62 PolarHBondContact N-O 2.92Å; Q45-G62 VanDerWaalsContact N-O 3.08Å |
| 46 | T | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 133.7 | -178.4 | -45.2 | 0 | 0 | 0 | 0 | 110.2 | L28 I29 F43 H44 R61 G62 F64 | L28-T46 HydrophobicContact CB-CG2 4.05Å; L28-T46 HydrophobicContact CD1-CG2 4.49Å; L28-T46 HydrophobicContact CD2-CG2 4.18Å; L28-T46 HydrophobicContact CG-CG2 4.48Å; I29-T46 CarbonylContact O-C 3.58Å; I29-T46 VanDerWaalsContact O-CA 3.29Å; I29-T46 WeakPolarHBondContact O-CA 3.32Å; F43-T46 HydrophobicContact CB-CG2 4.34Å; F43-T46 WeakPolarHBondContact CB-OG1 3.42Å; H44-T46 PolarHBondContact O-N 2.97Å; T46-R61 WeakPolarHBondContact O-CA 3.47Å; T46-R61 PolarHBondContact O-N 3.32Å; T46-G62 WeakPolarHBondContact CB-O 3.41Å; T46-G62 PolarHBondContact N-O 2.88Å; T46-G62 PolarHBondContact O-N 3.22Å; T46-G62 VanDerWaalsContact O-N 3.12Å; T46-G62 PolarHBondContact OG1-O 2.99Å; T46-F64 HydrophobicContact CG2-CB 3.98Å |
| 47 | V | 96.2 | Very high | 93 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.4 | 170 | 175.2 | 0 | 0 | 0 | 0 | 107.3 | I29 D58 I59 | I29-V47 PolarHBondContact N-O 2.94Å; I29-V47 PolarHBondContact O-N 2.83Å; V47-D58 HydrophobicContact CG1-CB 3.43Å; V47-D58 VanDerWaalsContact CG1-CB 3.43Å; V47-I59 CarbonylContact C-O 3.57Å; V47-I59 WeakPolarHBondContact CA-O 3.42Å |
| 48 | E | 95.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.9 | 168.5 | 179.3 | 176.9 | 172.7 | 0 | 0 | 109 | R26 T27 L28 I59 R61 | R26-E48 IonicContact CZ-OE1 3.11Å; R26-E48 IonicContact CZ-OE2 3.51Å; R26-E48 VanDerWaalsContact NE-CD 3.34Å; R26-E48 IonicContact NE-OE1 3.65Å; R26-E48 PolarHBondContact NE-OE1 3.23Å; R26-E48 IonicContact NE-OE2 2.73Å; R26-E48 IonicContact NH2-OE1 3.51Å; R26-E48 IonicContact NH2-OE2 3.41Å; R26-E48 PolarHBondContact NH2-OE2 3.27Å; T27-E48 CarbonylContact O-C 3.5Å; T27-E48 WeakPolarHBondContact O-CA 3.24Å; L28-E48 HydrophobicContact CD2-CB 3.75Å; L28-E48 HydrophobicContact CD2-CG 4.03Å; E48-I59 HydrophobicContact CB-CB 4.34Å; E48-I59 PolarHBondContact N-O 2.71Å; E48-I59 PolarHBondContact O-N 3.09Å; E48-R61 HydrophobicContact CB-CG 4.03Å; E48-R61 IonicContact OE2-CZ 2.69Å; E48-R61 IonicContact OE2-NE 3.96Å; E48-R61 PolarHBondContact OE2-NE 2.66Å; E48-R61 IonicContact OE2-NH2 3.18Å; E48-R61 PolarHBondContact OE2-NH2 3.26Å |
| 49 | R | 94.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 25% | 0.249 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.2 | 180 | -176.5 | 166.8 | -71.3 | -178.1 | -7.1 | 110.3 | T27 I29 H51 F56 G57 D58 | T27-R49 WeakPolarHBondContact CB-O 3.1Å; T27-R49 PolarHBondContact O-N 3.39Å; I29-R49 HydrophobicContact CD1-CB 4.03Å; R49-H51 WeakPolarHBondContact CD-NE2 3.23Å; R49-H51 WeakPolarHBondContact CG-NE2 3.41Å; R49-F56 HydrophobicContact CG-CB 4.26Å; R49-F56 HydrophobicContact CG-CD2 4.14Å; R49-G57 WeakPolarHBondContact CA-O 3.39Å; R49-D58 WeakPolarHBondContact CB-OD1 3.41Å; R49-D58 WeakPolarHBondContact CG-OD1 3.47Å; R49-D58 IonicContact CZ-OD1 3.54Å; R49-D58 IonicContact CZ-OD2 3.67Å; R49-D58 IonicContact NE-OD1 3.98Å; R49-D58 PolarHBondContact NE-OD1 2.69Å; R49-D58 IonicContact NE-OD2 2.61Å; R49-D58 IonicContact NH2-OD1 2.73Å; R49-D58 PolarHBondContact NH2-OD1 3.23Å; R49-D58 IonicContact NH2-OD2 2.64Å; R49-D58 PolarHBondContact NH2-OD2 3.18Å |
| 50 | I | 93.1 | Very high | 93.7 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.051 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.1 | 174.8 | -58.1 | 169.8 | 0 | 0 | 0 | 107.9 | V52 F56 G57 I59 I95 L96 Q99 | I50-V52 HydrophobicContact CG2-CG2 4.15Å; I50-F56 CarbonylContact O-C 3.51Å; I50-F56 WeakPolarHBondContact O-CA 3.3Å; I50-G57 PolarHBondContact N-O 2.71Å; I50-G57 PolarHBondContact O-N 3.29Å; I50-I59 HydrophobicContact CD1-CD1 3.62Å; I50-I95 HydrophobicContact CB-CG1 3.91Å; I50-I95 HydrophobicContact CB-CG2 4.37Å; I50-I95 HydrophobicContact CD1-CG2 4.26Å; I50-I95 HydrophobicContact CG2-CG1 3.73Å; I50-L96 HydrophobicContact CD1-CD2 3.71Å; I50-Q99 HydrophobicContact CG2-CB 4.26Å; I50-Q99 HydrophobicContact CG2-CG 4.24Å |
| 51 | H | 91.3 | Very high | 93.8 | Very high | 81 Ų | 81 | 48.8 Ų | 48.8 | 38% | 0.375 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.4 | 177.5 | -58.9 | 100.8 | 0 | 0 | 0 | 109.6 | R49 | R49-H51 WeakPolarHBondContact CD-NE2 3.23Å; R49-H51 WeakPolarHBondContact CG-NE2 3.41Å |
| 52 | V | 90.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 109.2 | 173.7 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | I50 K54 K55 I95 E98 Q99 | I50-V52 HydrophobicContact CG2-CG2 4.15Å; V52-K54 PolarHBondContact O-N 2.92Å; V52-K55 PolarHBondContact N-O 3.27Å; V52-K55 PolarHBondContact O-N 2.98Å; V52-I95 HydrophobicContact CB-CD1 3.82Å; V52-I95 HydrophobicContact CG2-CD1 3.71Å; V52-I95 HydrophobicContact CG2-CG1 4.14Å; V52-E98 HydrophobicContact CB-CB 4.34Å; V52-E98 HydrophobicContact CG1-CB 3.95Å; V52-E98 HydrophobicContact CG2-CB 4.4Å; V52-Q99 HydrophobicContact CG2-CB 4Å |
| 53 | G | 87.3 | Confident | 93.7 | Very high | 69 Ų | 69 | 54 Ų | 54 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | -110.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 54 | K | 88.9 | Confident | 93.7 | Very high | 159 Ų | 159 | 56.3 Ų | 56.3 | 69% | 0.691 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 9.3 | 177.5 | -63.2 | -174 | 179.9 | -178.2 | 0 | 113.3 | V52 L87 Q88 | V52-K54 PolarHBondContact O-N 2.92Å; K54-L87 CarbonylContact O-C 3.58Å; K54-L87 VanDerWaalsContact O-CA 3.3Å; K54-L87 WeakPolarHBondContact O-CA 3.18Å; K54-Q88 PolarHBondContact O-N 2.79Å |
| 55 | K | 91.9 | Very high | 93.6 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 152.3 | -178.8 | -67.9 | 171.6 | 171.2 | -170.2 | 0 | 110.7 | V52 Q88 V90 E94 I95 E98 | V52-K55 PolarHBondContact N-O 3.27Å; V52-K55 PolarHBondContact O-N 2.98Å; K55-Q88 CarbonylContact C-O 3.52Å; K55-Q88 VanDerWaalsContact CA-O 3.23Å; K55-Q88 WeakPolarHBondContact CA-O 3.34Å; K55-Q88 HydrophobicContact CG-CB 4.41Å; K55-V90 HydrophobicContact CB-CG1 4.16Å; K55-V90 HydrophobicContact CB-CG2 4.12Å; K55-V90 HydrophobicContact CD-CG1 3.8Å; K55-V90 HydrophobicContact CG-CG1 3.9Å; K55-E94 IonicContact NZ-OE1 2.77Å; K55-E94 PolarHBondContact NZ-OE1 3.24Å; K55-I95 HydrophobicContact CB-CD1 4.14Å; K55-E98 WeakPolarHBondContact CD-OE1 3.33Å; K55-E98 VanDerWaalsContact CD-OE2 3.32Å; K55-E98 WeakPolarHBondContact CD-OE2 3.47Å; K55-E98 IonicContact NZ-OE1 2.71Å; K55-E98 PolarHBondContact NZ-OE1 3.44Å |
| 56 | F | 92.8 | Very high | 93.6 | Very high | 21 Ų | 21 | 53.9 Ų | 53.9 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 150.8 | 170.3 | 77.8 | -83 | 0 | 0 | 0 | 111.9 | R49 I50 L87 Q88 Q89 V90 | R49-F56 HydrophobicContact CG-CB 4.26Å; R49-F56 HydrophobicContact CG-CD2 4.14Å; I50-F56 CarbonylContact O-C 3.51Å; I50-F56 WeakPolarHBondContact O-CA 3.3Å; F56-L87 HydrophobicContact CD1-CB 3.71Å; F56-L87 HydrophobicContact CE1-CB 4.21Å; F56-Q88 PolarHBondContact N-O 2.86Å; F56-Q89 HydrophobicContact CD1-CB 4.43Å; F56-Q89 HydrophobicContact CE1-CB 3.72Å; F56-Q89 HydrophobicContact CE1-CG 4.37Å; F56-Q89 HydrophobicContact CE2-CB 4.11Å; F56-Q89 HydrophobicContact CE2-CG 3.85Å; F56-Q89 HydrophobicContact CZ-CB 3.54Å; F56-Q89 HydrophobicContact CZ-CG 3.79Å; F56-Q89 WeakPolarHBondContact O-CA 3.11Å; F56-V90 WeakPolarHBondContact O-CG2 3.12Å; F56-V90 PolarHBondContact O-N 2.84Å |
| 57 | G | 93.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R49 I50 | R49-G57 WeakPolarHBondContact CA-O 3.39Å; I50-G57 PolarHBondContact N-O 2.71Å; I50-G57 PolarHBondContact O-N 3.29Å |
| 58 | D | 94.3 | Very high | 93.3 | Very high | 38 Ų | 38 | 60 Ų | 60 | 20% | 0.203 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.8 | -170.5 | -82.1 | -12.4 | 0 | 0 | 0 | 110.5 | V47 R49 | V47-D58 HydrophobicContact CG1-CB 3.43Å; V47-D58 VanDerWaalsContact CG1-CB 3.43Å; R49-D58 WeakPolarHBondContact CB-OD1 3.41Å; R49-D58 WeakPolarHBondContact CG-OD1 3.47Å; R49-D58 IonicContact CZ-OD1 3.54Å; R49-D58 IonicContact CZ-OD2 3.67Å; R49-D58 IonicContact NE-OD1 3.98Å; R49-D58 PolarHBondContact NE-OD1 2.69Å; R49-D58 IonicContact NE-OD2 2.61Å; R49-D58 IonicContact NH2-OD1 2.73Å; R49-D58 PolarHBondContact NH2-OD1 3.23Å; R49-D58 IonicContact NH2-OD2 2.64Å; R49-D58 PolarHBondContact NH2-OD2 3.18Å |
| 59 | I | 94 | Very high | 93.2 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117 | 178.3 | -57.5 | 175 | 0 | 0 | 0 | 109 | V47 E48 I50 R61 I92 L96 | V47-I59 CarbonylContact C-O 3.57Å; V47-I59 WeakPolarHBondContact CA-O 3.42Å; E48-I59 HydrophobicContact CB-CB 4.34Å; E48-I59 PolarHBondContact N-O 2.71Å; E48-I59 PolarHBondContact O-N 3.09Å; I50-I59 HydrophobicContact CD1-CD1 3.62Å; I59-R61 PolarHBondContact O-N 2.86Å; I59-I92 HydrophobicContact CD1-CG2 4.26Å; I59-I92 HydrophobicContact CG1-CD1 4.47Å; I59-I92 HydrophobicContact CG1-CG1 4.34Å; I59-I92 HydrophobicContact CG1-CG2 4Å; I59-L96 HydrophobicContact CD1-CD2 4.36Å |
| 60 | P | 95.2 | Very high | 93.1 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127.7 | 178.1 | 28.3 | -33.2 | 0 | 0 | 0 | 110.8 | ||
| 61 | R | 94.5 | Very high | 93.1 | Very high | 113 Ų | 113 | 64.4 Ų | 64.4 | 43% | 0.426 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -23.5 | 177.3 | -62.5 | -58.8 | -169.4 | -177.4 | -1.4 | 113.3 | T46 E48 I59 F64 | T46-R61 WeakPolarHBondContact O-CA 3.47Å; T46-R61 PolarHBondContact O-N 3.32Å; E48-R61 HydrophobicContact CB-CG 4.03Å; E48-R61 IonicContact OE2-CZ 2.69Å; E48-R61 IonicContact OE2-NE 3.96Å; E48-R61 PolarHBondContact OE2-NE 2.66Å; E48-R61 IonicContact OE2-NH2 3.18Å; E48-R61 PolarHBondContact OE2-NH2 3.26Å; I59-R61 PolarHBondContact O-N 2.86Å; R61-F64 HydrophobicContact CB-CD2 4.1Å; R61-F64 HydrophobicContact CG-CD2 4.5Å |
| 62 | G | 94.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 35% | 0.351 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.3 | -117.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q45 T46 | Q45-G62 PolarHBondContact N-O 2.92Å; Q45-G62 VanDerWaalsContact N-O 3.08Å; T46-G62 WeakPolarHBondContact CB-O 3.41Å; T46-G62 PolarHBondContact N-O 2.88Å; T46-G62 PolarHBondContact O-N 3.22Å; T46-G62 VanDerWaalsContact O-N 3.12Å; T46-G62 PolarHBondContact OG1-O 2.99Å |
| 63 | I | 95.6 | Very high | 93.3 | Very high | 122 Ų | 122 | 68.1 Ų | 68.1 | 63% | 0.626 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.9 | 173.8 | -61.3 | 173.4 | 0 | 0 | 0 | 108.2 | F43 | F43-I63 WeakPolarHBondContact O-CA 2.98Å |
| 64 | F | 95.1 | Very high | 93.6 | Very high | 49 Ų | 49 | 66.9 Ų | 66.9 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.2 | -176.9 | -155.9 | -88.1 | 0 | 0 | 0 | 110.6 | L28 F43 T46 R61 V66 | L28-F64 HydrophobicContact CD1-CD1 3.57Å; L28-F64 HydrophobicContact CD1-CE1 3.59Å; L28-F64 HydrophobicContact CD1-CG 4.29Å; L28-F64 HydrophobicContact CD1-CZ 4.33Å; F43-F64 PolarHBondContact N-O 2.9Å; F43-F64 PolarHBondContact O-N 2.96Å; T46-F64 HydrophobicContact CG2-CB 3.98Å; R61-F64 HydrophobicContact CB-CD2 4.1Å; R61-F64 HydrophobicContact CG-CD2 4.5Å; F64-V66 HydrophobicContact CD1-CG2 3.64Å; F64-V66 HydrophobicContact CE1-CG2 3.94Å |
| 65 | I | 95.3 | Very high | 93.7 | Very high | 126 Ų | 126 | 60.7 Ų | 60.7 | 65% | 0.646 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.3 | 177 | -56.6 | 176.4 | 0 | 0 | 0 | 107.5 | L41 V42 | L41-I65 WeakPolarHBondContact O-CA 3.3Å; V42-I65 HydrophobicContact CG2-CG1 4.38Å |
| 66 | V | 94.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.1 | 178.5 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | L22 L28 N40 L41 F43 F64 V71 | L22-V66 HydrophobicContact CD2-CG1 3.51Å; L28-V66 HydrophobicContact CD1-CG2 3.81Å; N40-V66 CarbonylContact C-O 3.56Å; N40-V66 WeakPolarHBondContact CA-O 3.29Å; L41-V66 HydrophobicContact CB-CB 4.3Å; L41-V66 PolarHBondContact N-O 3.05Å; L41-V66 PolarHBondContact O-N 3.03Å; F43-V66 HydrophobicContact CD2-CG2 4.11Å; F43-V66 HydrophobicContact CE2-CG2 4.33Å; F64-V66 HydrophobicContact CD1-CG2 3.64Å; F64-V66 HydrophobicContact CE1-CG2 3.94Å; V66-V71 HydrophobicContact CG1-CG2 3.63Å |
| 67 | R | 95 | Very high | 93.6 | Very high | 158 Ų | 158 | 64.8 Ų | 64.8 | 60% | 0.596 | 34% | 0.341 | S | S | * | . | trans | -81.5 | 135.2 | 173.3 | -143 | -178.6 | 146.8 | 115.2 | -9.5 | 110.7 | N40 E69 N70 | N40-R67 VanDerWaalsContact OD1-CA 3.29Å; N40-R67 WeakPolarHBondContact OD1-CA 3.19Å; N40-R67 WeakPolarHBondContact OD1-CG 3.49Å; R67-E69 VanDerWaalsContact C-N 3.32Å; R67-E69 WeakPolarHBondContact CD-OE1 3.32Å; R67-E69 WeakPolarHBondContact CD-OE2 3.46Å; R67-E69 WeakPolarHBondContact CG-OE2 3.17Å; R67-E69 IonicContact CZ-OE1 3.74Å; R67-E69 IonicContact NE-OE1 2.72Å; R67-E69 PolarHBondContact NE-OE1 2.82Å; R67-E69 IonicContact NE-OE2 3.99Å; R67-E69 PolarHBondContact NE-OE2 2.73Å; R67-E69 VanDerWaalsContact NE-OE2 3.11Å; R67-E69 IonicContact NH2-OE1 3.96Å; R67-E69 PolarHBondContact O-N 2.83Å; R67-N70 WeakPolarHBondContact O-CB 3.47Å; R67-N70 PolarHBondContact O-N 3.38Å | ||
| 68 | G | 92.2 | Very high | 93.4 | Very high | 12 Ų | 12 | 67.8 Ų | 67.8 | 12% | 0.124 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -60.6 | -33.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115 | F38 A39 N40 N70 V71 | F38-G68 WeakPolarHBondContact O-CA 3.39Å; A39-G68 WeakPolarHBondContact O-CA 3.43Å; N40-G68 PolarHBondContact OD1-N 2.81Å; G68-N70 PolarHBondContact O-N 2.77Å; G68-V71 WeakPolarHBondContact O-CB 3.06Å; G68-V71 PolarHBondContact O-N 2.95Å; G68-V71 VanDerWaalsContact O-N 3.15Å |
| 69 | E | 93.1 | Very high | 92.7 | Very high | 93 Ų | 93 | 71.9 Ų | 71.9 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -69.7 | -17.4 | 177.9 | 73 | -91 | -141.5 | 0 | 0 | 114.2 | R23 R67 | R23-E69 PolarHBondContact NE-O 2.87Å; R23-E69 PolarHBondContact NH2-O 2.82Å; R67-E69 VanDerWaalsContact C-N 3.32Å; R67-E69 WeakPolarHBondContact CD-OE1 3.32Å; R67-E69 WeakPolarHBondContact CD-OE2 3.46Å; R67-E69 WeakPolarHBondContact CG-OE2 3.17Å; R67-E69 IonicContact CZ-OE1 3.74Å; R67-E69 IonicContact NE-OE1 2.72Å; R67-E69 PolarHBondContact NE-OE1 2.82Å; R67-E69 IonicContact NE-OE2 3.99Å; R67-E69 PolarHBondContact NE-OE2 2.73Å; R67-E69 VanDerWaalsContact NE-OE2 3.11Å; R67-E69 IonicContact NH2-OE1 3.96Å; R67-E69 PolarHBondContact O-N 2.83Å |
| 70 | N | 92.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 78.1 Ų | 78.1 | 29% | 0.289 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -88.1 | -11 | 177.1 | -67.9 | -38.1 | 0 | 0 | 0 | 112 | L22 R23 R67 G68 | L22-N70 CarbonylContact C-O 3.57Å; L22-N70 VanDerWaalsContact CA-O 3.25Å; L22-N70 WeakPolarHBondContact CA-O 3.29Å; R23-N70 PolarHBondContact N-O 3.01Å; R67-N70 WeakPolarHBondContact O-CB 3.47Å; R67-N70 PolarHBondContact O-N 3.38Å; G68-N70 PolarHBondContact O-N 2.77Å |
| 71 | V | 92.9 | Very high | 91.3 | Very high | 34 Ų | 34 | 80.1 Ų | 80.1 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 123 | 176.5 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | V20 L41 V66 G68 | V20-V71 HydrophobicContact CG1-CG1 4.07Å; V20-V71 HydrophobicContact CG1-CG2 4.28Å; L41-V71 HydrophobicContact CD1-CG2 3.88Å; L41-V71 HydrophobicContact CG-CG2 4.44Å; V66-V71 HydrophobicContact CG1-CG2 3.63Å; G68-V71 WeakPolarHBondContact O-CB 3.06Å; G68-V71 PolarHBondContact O-N 2.95Å; G68-V71 VanDerWaalsContact O-N 3.15Å |
| 72 | V | 93.3 | Very high | 89.8 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 53% | 0.527 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -49.8 | 173.2 | 176.9 | 0 | 0 | 0 | 0 | 110 | L21 R23 | L21-V72 HydrophobicContact CB-CB 4.46Å; L21-V72 HydrophobicContact CD2-CB 4.48Å; L21-V72 HydrophobicContact CD2-CG1 4.31Å; L21-V72 HydrophobicContact CG-CB 4.47Å; L21-V72 WeakPolarHBondContact O-CB 3.31Å; L21-V72 PolarHBondContact O-N 3.43Å; R23-V72 HydrophobicContact CB-CG2 4.21Å |
| 73 | L | 92.9 | Very high | 88.4 | Confident | 88 Ų | 88 | 83 Ų | 83 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 155.2 | 175.2 | 69.2 | 88.2 | 0 | 0 | 0 | 110.4 | L19 V20 L21 | L19-L73 HydrophobicContact CD2-CD1 4.26Å; V20-L73 WeakPolarHBondContact CA-O 3.29Å; L21-L73 HydrophobicContact CB-CD1 4.18Å; L21-L73 HydrophobicContact CB-CD2 4.17Å; L21-L73 HydrophobicContact CB-CG 3.73Å; L21-L73 HydrophobicContact CD2-CD2 3.85Å; L21-L73 HydrophobicContact CD2-CG 4.33Å; L21-L73 PolarHBondContact N-O 3.32Å |
| 74 | L | 92.3 | Very high | 86.7 | Confident | 44 Ų | 44 | 84.5 Ų | 84.5 | 23% | 0.23 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136 | 173.5 | 173.8 | 145.9 | 0 | 0 | 0 | 108.2 | L10 H18 L19 V20 L41 F43 | L10-L74 HydrophobicContact CD2-CD2 3.68Å; H18-L74 HydrophobicContact CB-CG 4.46Å; H18-L74 WeakPolarHBondContact CD2-CD2 3.43Å; L19-L74 WeakPolarHBondContact O-CA 3.48Å; V20-L74 HydrophobicContact CG2-CB 4.37Å; V20-L74 HydrophobicContact CG2-CD1 3.87Å; V20-L74 HydrophobicContact CG2-CG 4.18Å; L41-L74 HydrophobicContact CD1-CD1 3.55Å; L41-L74 HydrophobicContact CD2-CD1 4.48Å; F43-L74 HydrophobicContact CZ-CD1 4.16Å |
| 75 | G | 92.3 | Very high | 85.1 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 30% | 0.299 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 133 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H18 L19 | H18-G75 CarbonylContact C-O 3.53Å; H18-G75 WeakPolarHBondContact CA-O 3.41Å; H18-G75 VanDerWaalsContact CD2-C 3.47Å; L19-G75 PolarHBondContact N-O 3.39Å; L19-G75 PolarHBondContact O-N 3.02Å |
| 76 | E | 92.4 | Very high | 84.3 | Confident | 104 Ų | 104 | 85.7 Ų | 85.7 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 132.8 | 174 | -169.5 | -173.1 | 146.8 | 0 | 0 | 110.1 | K16 H18 | K16-E76 HydrophobicContact CB-CG 4.32Å; K16-E76 HydrophobicContact CD-CG 3.93Å; K16-E76 WeakPolarHBondContact CD-OE1 3.39Å; K16-E76 VanDerWaalsContact CD-OE2 3.31Å; K16-E76 WeakPolarHBondContact CD-OE2 3.31Å; K16-E76 IonicContact NZ-OE1 2.97Å; K16-E76 IonicContact NZ-OE2 3.96Å; K16-E76 PolarHBondContact NZ-OE2 3.13Å; H18-E76 VanDerWaalsContact CD2-CA 3.45Å; H18-E76 WeakPolarHBondContact CD2-CA 3.41Å; H18-E76 PolarHBondContact CD2-N 2.85Å |
| 77 | I | 90.6 | Very high | 83.8 | Confident | 49 Ų | 49 | 88.4 Ų | 88.4 | 25% | 0.251 | 48% | 0.477 | S | S | . | . | trans | -95.3 | 112.1 | 171.5 | -64.7 | 163.8 | 0 | 0 | 0 | 108 | K17 L19 I29 M79 | K17-I77 HydrophobicContact CB-CB 4.44Å; K17-I77 HydrophobicContact CD-CD1 4.49Å; K17-I77 HydrophobicContact CG-CB 4.39Å; K17-I77 HydrophobicContact CG-CD1 4.25Å; K17-I77 PolarHBondContact O-N 2.96Å; L19-I77 HydrophobicContact CB-CD1 3.9Å; L19-I77 HydrophobicContact CB-CG1 4.1Å; I29-I77 HydrophobicContact CB-CD1 4.5Å; I29-I77 HydrophobicContact CG1-CD1 4.27Å; I29-I77 HydrophobicContact CG2-CD1 3.59Å; I77-M79 HydrophobicContact CG2-SD 4.46Å; I77-M79 PolarHBondContact O-N 3.41Å | ||
| 78 | D | 87.8 | Confident | 83.4 | Confident | 63 Ų | 63 | 86.8 Ų | 86.8 | 34% | 0.337 | 48% | 0.477 | S | S | . | . | trans | -70.6 | 115.3 | 169.4 | -171.8 | -19.6 | 0 | 0 | 0 | 109.7 | D80 K81 | D78-D80 VanDerWaalsContact C-N 3.35Å; D78-D80 PolarHBondContact OD1-N 2.73Å; D78-K81 HydrophobicContact CB-CB 4.4Å; D78-K81 HydrophobicContact CB-CD 4.14Å; D78-K81 HydrophobicContact CB-CG 4.36Å; D78-K81 PolarHBondContact OD1-N 2.85Å; D78-K81 VanDerWaalsContact OD2-CD 3.29Å; D78-K81 WeakPolarHBondContact OD2-CD 3.44Å; D78-K81 WeakPolarHBondContact OD2-CE 3.44Å; D78-K81 WeakPolarHBondContact OD2-CG 3.25Å; D78-K81 IonicContact OD2-NZ 2.78Å; D78-K81 PolarHBondContact OD2-NZ 2.77Å | ||
| 79 | M | 80.8 | Confident | 83.2 | Confident | 123 Ų | 123 | 92.4 Ų | 92.4 | 61% | 0.606 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -79.3 | -19.5 | -178.4 | -68.8 | -67.4 | -61 | 0 | 0 | 113 | K17 I77 | K17-M79 HydrophobicContact CD-SD 3.44Å; K17-M79 WeakPolarHBondContact CD-SD 3.37Å; I77-M79 HydrophobicContact CG2-SD 4.46Å; I77-M79 PolarHBondContact O-N 3.41Å |
| 80 | D | 80.3 | Confident | 83.2 | Confident | 154 Ų | 154 | 88.8 Ų | 88.8 | 82% | 0.824 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -88.4 | -18.1 | -175.6 | -64 | -33.8 | 0 | 0 | 0 | 111.8 | D78 | D78-D80 VanDerWaalsContact C-N 3.35Å; D78-D80 PolarHBondContact OD1-N 2.73Å |
| 81 | K | 78.6 | Confident | 83.2 | Confident | 141 Ų | 141 | 89.2 Ų | 89.2 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -76.3 | 125.5 | 173.8 | -79.6 | 177.1 | -171.6 | 127.3 | 0 | 110.7 | D78 C83 | D78-K81 HydrophobicContact CB-CB 4.4Å; D78-K81 HydrophobicContact CB-CD 4.14Å; D78-K81 HydrophobicContact CB-CG 4.36Å; D78-K81 PolarHBondContact OD1-N 2.85Å; D78-K81 VanDerWaalsContact OD2-CD 3.29Å; D78-K81 WeakPolarHBondContact OD2-CD 3.44Å; D78-K81 WeakPolarHBondContact OD2-CE 3.44Å; D78-K81 WeakPolarHBondContact OD2-CG 3.25Å; D78-K81 IonicContact OD2-NZ 2.78Å; D78-K81 PolarHBondContact OD2-NZ 2.77Å; K81-C83 PolarHBondContact O-N 3.2Å; K81-C83 VanDerWaalsContact O-N 3.12Å |
| 82 | P | 63.3 | Low | 83.1 | Confident | 107 Ų | 107 | 91 Ų | 91 | 70% | 0.695 | 50% | 0.499 | S | S | * | . | trans | -60.5 | 122.1 | 171.6 | 25.3 | -31.6 | 0 | 0 | 0 | 108.5 | D84 | P82-D84 VanDerWaalsContact C-N 3.33Å; P82-D84 PolarHBondContact O-N 2.8Å | ||
| 83 | C | 64.4 | Low | 83 | Confident | 100 Ų | 100 | 94.3 Ų | 94.3 | 68% | 0.676 | 51% | 0.508 | S | S | * | . | trans | -77 | 90.4 | 174.9 | -147.5 | 0 | 0 | 0 | 0 | 107 | K81 T85 | K81-C83 PolarHBondContact O-N 3.2Å; K81-C83 VanDerWaalsContact O-N 3.12Å; C83-T85 HydrophobicContact CB-CG2 4.28Å; C83-T85 PolarHBondContact O-N 3.08Å; C83-T85 PolarHBondContact O-OG1 3.12Å; C83-T85 WeakPolarHBondContact SG-CG2 3.44Å | ||
| 84 | D | 59.9 | Low | 83 | Confident | 155 Ų | 155 | 93.6 Ų | 93.6 | 83% | 0.829 | 50% | 0.502 | S | S | * | . | trans | -64.7 | 67.5 | 169 | -82.5 | -19.2 | 0 | 0 | 0 | 109.1 | P82 V86 | P82-D84 VanDerWaalsContact C-N 3.33Å; P82-D84 PolarHBondContact O-N 2.8Å; D84-V86 PolarHBondContact O-N 2.78Å | ||
| 85 | T | 62.4 | Low | 83 | Confident | 76 Ų | 76 | 91.5 Ų | 91.5 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | trans | -90.9 | 108.9 | -171.7 | 24.9 | 0 | 0 | 0 | 0 | 108.6 | C83 L87 | C83-T85 HydrophobicContact CB-CG2 4.28Å; C83-T85 PolarHBondContact O-N 3.08Å; C83-T85 PolarHBondContact O-OG1 3.12Å; C83-T85 WeakPolarHBondContact SG-CG2 3.44Å; T85-L87 PolarHBondContact O-N 3.27Å; T85-L87 VanDerWaalsContact O-N 3.13Å | ||
| 86 | V | 78.2 | Confident | 82.9 | Confident | 123 Ų | 123 | 93.7 Ų | 93.7 | 75% | 0.745 | 50% | 0.496 | S | S | * | . | trans | -65.9 | -3.2 | 166.9 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | D84 | D84-V86 PolarHBondContact O-N 2.78Š| ||
| 87 | L | 84.3 | Confident | 82.9 | Confident | 63 Ų | 63 | 95.2 Ų | 95.2 | 33% | 0.33 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 131.8 | -173.8 | -59.7 | 175.1 | 0 | 0 | 0 | 111.3 | K54 F56 T85 | K54-L87 CarbonylContact O-C 3.58Å; K54-L87 VanDerWaalsContact O-CA 3.3Å; K54-L87 WeakPolarHBondContact O-CA 3.18Å; F56-L87 HydrophobicContact CD1-CB 3.71Å; F56-L87 HydrophobicContact CE1-CB 4.21Å; T85-L87 PolarHBondContact O-N 3.27Å; T85-L87 VanDerWaalsContact O-N 3.13Å |
| 88 | Q | 86.8 | Confident | 82.9 | Confident | 124 Ų | 124 | 95.4 Ų | 95.4 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.6 | 178.1 | -177.8 | 179 | -12.9 | 0 | 0 | 110.6 | K54 K55 F56 V90 | K54-Q88 PolarHBondContact O-N 2.79Å; K55-Q88 CarbonylContact C-O 3.52Å; K55-Q88 VanDerWaalsContact CA-O 3.23Å; K55-Q88 WeakPolarHBondContact CA-O 3.34Å; K55-Q88 HydrophobicContact CG-CB 4.41Å; F56-Q88 PolarHBondContact N-O 2.86Å; Q88-V90 HydrophobicContact CG-CG1 4.41Å |
| 89 | Q | 88.7 | Confident | 83 | Confident | 130 Ų | 130 | 95 Ų | 95 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.8 | 171.9 | -167.6 | 174.9 | 0.2 | 0 | 0 | 110.1 | F56 | F56-Q89 HydrophobicContact CD1-CB 4.43Å; F56-Q89 HydrophobicContact CE1-CB 3.72Å; F56-Q89 HydrophobicContact CE1-CG 4.37Å; F56-Q89 HydrophobicContact CE2-CB 4.11Å; F56-Q89 HydrophobicContact CE2-CG 3.85Å; F56-Q89 HydrophobicContact CZ-CB 3.54Å; F56-Q89 HydrophobicContact CZ-CG 3.79Å; F56-Q89 WeakPolarHBondContact O-CA 3.11Å |
| 90 | V | 92.5 | Very high | 83.5 | Confident | 17 Ų | 17 | 97 Ų | 97 | 10% | 0.103 | 50% | 0.5 | C | S | . | . | trans | -126.3 | 171.1 | 176.9 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | K55 F56 Q88 I95 | K55-V90 HydrophobicContact CB-CG1 4.16Å; K55-V90 HydrophobicContact CB-CG2 4.12Å; K55-V90 HydrophobicContact CD-CG1 3.8Å; K55-V90 HydrophobicContact CG-CG1 3.9Å; F56-V90 WeakPolarHBondContact O-CG2 3.12Å; F56-V90 PolarHBondContact O-N 2.84Å; Q88-V90 HydrophobicContact CG-CG1 4.41Å; V90-I95 HydrophobicContact CG2-CB 3.91Å; V90-I95 HydrophobicContact CG2-CD1 3.81Å; V90-I95 HydrophobicContact CG2-CG1 4.35Å | ||
| 91 | S | 93.2 | Very high | 84 | Confident | 63 Ų | 63 | 95 Ų | 95 | 44% | 0.441 | 49% | 0.489 | S | S | . | . | trans | -68.6 | 158 | 177.4 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | E93 E94 I95 | S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 PolarHBondContact O-N 2.88Å; S91-E94 PolarHBondContact O-N 2.89Å; S91-E94 WeakPolarHBondContact OG-CB 3.35Å; S91-E94 PolarHBondContact OG-N 2.94Å; S91-I95 PolarHBondContact O-N 2.85Å; S91-I95 VanDerWaalsContact O-N 3.09Å | ||
| 92 | I | 90.9 | Very high | 84.5 | Confident | 72 Ų | 72 | 93.2 Ų | 93.2 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 178.3 | -62.9 | 171.3 | 0 | 0 | 0 | 110.9 | I59 I95 L96 | I59-I92 HydrophobicContact CD1-CG2 4.26Å; I59-I92 HydrophobicContact CG1-CD1 4.47Å; I59-I92 HydrophobicContact CG1-CG1 4.34Å; I59-I92 HydrophobicContact CG1-CG2 4Å; I92-I95 WeakPolarHBondContact O-CG2 3.29Å; I92-L96 HydrophobicContact CG2-CD1 3.71Å; I92-L96 HydrophobicContact CG2-CG 4.31Å; I92-L96 WeakPolarHBondContact O-CB 3.34Å; I92-L96 WeakPolarHBondContact O-CD1 3.32Å; I92-L96 WeakPolarHBondContact O-CG 3.4Å; I92-L96 PolarHBondContact O-N 2.9Å |
| 93 | E | 90.8 | Very high | 85.7 | Confident | 156 Ų | 156 | 93 Ų | 93 | 73% | 0.729 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65 | -48.5 | -179.8 | -64.9 | 175.5 | -179.5 | 0 | 0 | 110.8 | S91 I95 L96 E97 | S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 PolarHBondContact O-N 2.88Å; E93-I95 PolarHBondContact O-N 3.3Å; E93-L96 PolarHBondContact O-N 2.83Å; E93-E97 WeakPolarHBondContact O-CG 3.33Å; E93-E97 PolarHBondContact O-N 3.15Å; E93-E97 VanDerWaalsContact O-N 3.12Å |
| 94 | E | 91.9 | Very high | 87 | Confident | 72 Ų | 72 | 92 Ų | 92 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 179.7 | -172.4 | -178.3 | 167.6 | 0 | 0 | 112.2 | K55 S91 L96 E97 E98 | K55-E94 IonicContact NZ-OE1 2.77Å; K55-E94 PolarHBondContact NZ-OE1 3.24Å; S91-E94 PolarHBondContact O-N 2.89Å; S91-E94 WeakPolarHBondContact OG-CB 3.35Å; S91-E94 PolarHBondContact OG-N 2.94Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.11Å; E94-E97 PolarHBondContact O-N 3.03Å; E94-E98 WeakPolarHBondContact O-CG 3.36Å; E94-E98 PolarHBondContact O-N 3.24Å |
| 95 | I | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.4 | -34.1 | -178.4 | -158.4 | 68 | 0 | 0 | 0 | 112.3 | I50 V52 K55 V90 S91 I92 E93 Q99 | I50-I95 HydrophobicContact CB-CG1 3.91Å; I50-I95 HydrophobicContact CB-CG2 4.37Å; I50-I95 HydrophobicContact CD1-CG2 4.26Å; I50-I95 HydrophobicContact CG2-CG1 3.73Å; V52-I95 HydrophobicContact CB-CD1 3.82Å; V52-I95 HydrophobicContact CG2-CD1 3.71Å; V52-I95 HydrophobicContact CG2-CG1 4.14Å; K55-I95 HydrophobicContact CB-CD1 4.14Å; V90-I95 HydrophobicContact CG2-CB 3.91Å; V90-I95 HydrophobicContact CG2-CD1 3.81Å; V90-I95 HydrophobicContact CG2-CG1 4.35Å; S91-I95 PolarHBondContact O-N 2.85Å; S91-I95 VanDerWaalsContact O-N 3.09Å; I92-I95 WeakPolarHBondContact O-CG2 3.29Å; E93-I95 PolarHBondContact O-N 3.3Å; I95-Q99 VanDerWaalsContact O-CB 3.24Å; I95-Q99 WeakPolarHBondContact O-CB 3.38Å; I95-Q99 PolarHBondContact O-N 2.96Å |
| 96 | L | 90.9 | Very high | 89.7 | Confident | 75 Ų | 75 | 89.4 Ų | 89.4 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.3 | -39.9 | 179 | -73.9 | 172.7 | 0 | 0 | 0 | 111.3 | I50 I59 I92 E93 E94 R100 | I50-L96 HydrophobicContact CD1-CD2 3.71Å; I59-L96 HydrophobicContact CD1-CD2 4.36Å; I92-L96 HydrophobicContact CG2-CD1 3.71Å; I92-L96 HydrophobicContact CG2-CG 4.31Å; I92-L96 WeakPolarHBondContact O-CB 3.34Å; I92-L96 WeakPolarHBondContact O-CD1 3.32Å; I92-L96 WeakPolarHBondContact O-CG 3.4Å; I92-L96 PolarHBondContact O-N 2.9Å; E93-L96 PolarHBondContact O-N 2.83Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.11Å; L96-R100 WeakPolarHBondContact O-CB 3.45Å; L96-R100 PolarHBondContact O-N 3.42Å |
| 97 | E | 91.7 | Very high | 90.2 | Very high | 136 Ų | 136 | 88.4 Ų | 88.4 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.4 | -47.4 | 173.7 | -72.6 | -175.4 | 172.4 | 0 | 0 | 111.5 | E93 E94 Q99 R100 L101 | E93-E97 WeakPolarHBondContact O-CG 3.33Å; E93-E97 PolarHBondContact O-N 3.15Å; E93-E97 VanDerWaalsContact O-N 3.12Å; E94-E97 PolarHBondContact O-N 3.03Å; E97-Q99 PolarHBondContact O-N 2.68Å; E97-R100 PolarHBondContact O-N 2.93Å; E97-L101 WeakPolarHBondContact O-CG 3.44Å; E97-L101 PolarHBondContact O-N 2.79Å |
| 98 | E | 90.4 | Very high | 90.5 | Very high | 53 Ų | 53 | 92 Ų | 92 | 25% | 0.248 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 177.4 | -72.5 | -169 | 169.6 | 0 | 0 | 112.2 | V52 K55 E94 R100 L101 Q102 | V52-E98 HydrophobicContact CB-CB 4.34Å; V52-E98 HydrophobicContact CG1-CB 3.95Å; V52-E98 HydrophobicContact CG2-CB 4.4Å; K55-E98 WeakPolarHBondContact CD-OE1 3.33Å; K55-E98 VanDerWaalsContact CD-OE2 3.32Å; K55-E98 WeakPolarHBondContact CD-OE2 3.47Å; K55-E98 IonicContact NZ-OE1 2.71Å; K55-E98 PolarHBondContact NZ-OE1 3.44Å; E94-E98 WeakPolarHBondContact O-CG 3.36Å; E94-E98 PolarHBondContact O-N 3.24Å; E98-R100 VanDerWaalsContact C-N 3.33Å; E98-R100 PolarHBondContact O-N 2.9Å; E98-L101 PolarHBondContact O-N 2.91Å; E98-Q102 WeakPolarHBondContact O-CB 3.36Å; E98-Q102 PolarHBondContact O-N 2.61Å |
| 99 | Q | 90.8 | Very high | 90.6 | Very high | 54 Ų | 54 | 89.4 Ų | 89.4 | 25% | 0.252 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.3 | -174.2 | -176.5 | 24.5 | 0 | 0 | 111.2 | I50 V52 I95 E97 Q102 Q103 | I50-Q99 HydrophobicContact CG2-CB 4.26Å; I50-Q99 HydrophobicContact CG2-CG 4.24Å; V52-Q99 HydrophobicContact CG2-CB 4Å; I95-Q99 VanDerWaalsContact O-CB 3.24Å; I95-Q99 WeakPolarHBondContact O-CB 3.38Å; I95-Q99 PolarHBondContact O-N 2.96Å; E97-Q99 PolarHBondContact O-N 2.68Å; Q99-Q102 PolarHBondContact O-N 2.83Å; Q99-Q103 WeakPolarHBondContact O-CB 3.43Å; Q99-Q103 WeakPolarHBondContact O-CG 3.44Å; Q99-Q103 PolarHBondContact O-N 3.39Å |
| 100 | R | 90.5 | Very high | 90.6 | Very high | 165 Ų | 165 | 87.6 Ų | 87.6 | 62% | 0.623 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -62 | -45.7 | 178.3 | -178 | -179.8 | 175.5 | 175.7 | 1.2 | 111.5 | L96 E97 E98 Q103 Q104 | L96-R100 WeakPolarHBondContact O-CB 3.45Å; L96-R100 PolarHBondContact O-N 3.42Å; E97-R100 PolarHBondContact O-N 2.93Å; E98-R100 VanDerWaalsContact C-N 3.33Å; E98-R100 PolarHBondContact O-N 2.9Å; R100-Q103 PolarHBondContact O-N 2.83Å; R100-Q104 WeakPolarHBondContact O-CG 3.34Å; R100-Q104 PolarHBondContact O-N 3.04Å |
| 101 | L | 91.3 | Very high | 90.4 | Very high | 114 Ų | 114 | 93.3 Ų | 93.3 | 60% | 0.597 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 177.1 | -70.5 | 171.5 | 0 | 0 | 0 | 111.4 | E97 E98 Q103 Q104 A105 | E97-L101 WeakPolarHBondContact O-CG 3.44Å; E97-L101 PolarHBondContact O-N 2.79Å; E98-L101 PolarHBondContact O-N 2.91Å; L101-Q103 PolarHBondContact O-N 2.99Å; L101-Q104 PolarHBondContact O-N 3.48Å; L101-A105 WeakPolarHBondContact O-CB 3.14Å; L101-A105 PolarHBondContact O-N 2.81Å |
| 102 | Q | 89.9 | Confident | 90.2 | Very high | 103 Ų | 103 | 93.2 Ų | 93.2 | 48% | 0.481 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 177.6 | -169.7 | -176.8 | 26.6 | 0 | 0 | 112.1 | E98 Q99 K106 | E98-Q102 WeakPolarHBondContact O-CB 3.36Å; E98-Q102 PolarHBondContact O-N 2.61Å; Q99-Q102 PolarHBondContact O-N 2.83Å; Q102-K106 VanDerWaalsContact O-CB 3.31Å; Q102-K106 WeakPolarHBondContact O-CB 3.33Å; Q102-K106 PolarHBondContact O-N 2.83Å |
| 103 | Q | 87.6 | Confident | 90 | Very high | 101 Ų | 101 | 96 Ų | 96 | 47% | 0.472 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 177 | -76.5 | 177.9 | -6.6 | 0 | 0 | 111.9 | Q99 R100 L101 K106 Q107 | Q99-Q103 WeakPolarHBondContact O-CB 3.43Å; Q99-Q103 WeakPolarHBondContact O-CG 3.44Å; Q99-Q103 PolarHBondContact O-N 3.39Å; R100-Q103 PolarHBondContact O-N 2.83Å; L101-Q103 PolarHBondContact O-N 2.99Å; Q103-K106 PolarHBondContact O-N 2.92Å; Q103-Q107 WeakPolarHBondContact O-CB 3.4Å; Q103-Q107 VanDerWaalsContact O-CG 3.29Å; Q103-Q107 WeakPolarHBondContact O-CG 3.49Å; Q103-Q107 PolarHBondContact O-N 2.87Å |
| 104 | Q | 91 | Very high | 89.9 | Confident | 81 Ų | 81 | 92.2 Ų | 92.2 | 38% | 0.379 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 176.5 | -73.4 | 176.6 | -14.1 | 0 | 0 | 111.4 | R100 L101 K106 Q107 E108 | R100-Q104 WeakPolarHBondContact O-CG 3.34Å; R100-Q104 PolarHBondContact O-N 3.04Å; L101-Q104 PolarHBondContact O-N 3.48Å; Q104-K106 VanDerWaalsContact C-N 3.32Å; Q104-K106 PolarHBondContact O-N 3.31Å; Q104-Q107 PolarHBondContact O-N 2.7Å; Q104-E108 WeakPolarHBondContact O-CG 3.44Å; Q104-E108 PolarHBondContact O-N 3.43Å |
| 105 | A | 91.3 | Very high | 89.7 | Confident | 50 Ų | 50 | 92.6 Ų | 92.6 | 41% | 0.413 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L101 E108 T109 | L101-A105 WeakPolarHBondContact O-CB 3.14Å; L101-A105 PolarHBondContact O-N 2.81Å; A105-E108 PolarHBondContact O-N 3.4Å; A105-T109 VanDerWaalsContact O-CG2 3.32Å; A105-T109 WeakPolarHBondContact O-CG2 3.41Å; A105-T109 PolarHBondContact O-N 2.83Å; A105-T109 PolarHBondContact O-OG1 3.01Å |
| 106 | K | 88.4 | Confident | 89.6 | Confident | 125 Ų | 125 | 95 Ų | 95 | 54% | 0.543 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 176.6 | -169.3 | -180 | 177.1 | -167.9 | 0 | 111 | Q102 Q103 Q104 E108 T109 E110 | Q102-K106 VanDerWaalsContact O-CB 3.31Å; Q102-K106 WeakPolarHBondContact O-CB 3.33Å; Q102-K106 PolarHBondContact O-N 2.83Å; Q103-K106 PolarHBondContact O-N 2.92Å; Q104-K106 VanDerWaalsContact C-N 3.32Å; Q104-K106 PolarHBondContact O-N 3.31Å; K106-E108 PolarHBondContact O-N 3.08Å; K106-T109 PolarHBondContact O-N 3.07Å; K106-T109 PolarHBondContact O-OG1 3.36Å; K106-E110 WeakPolarHBondContact CE-OE1 3.45Å; K106-E110 HydrophobicContact CG-CG 4.42Å; K106-E110 IonicContact NZ-OE1 2.71Å; K106-E110 WeakPolarHBondContact O-CB 3.11Å; K106-E110 WeakPolarHBondContact O-CG 3.29Å; K106-E110 PolarHBondContact O-N 3.1Å |
| 107 | Q | 88.2 | Confident | 89.5 | Confident | 102 Ų | 102 | 93.7 Ų | 93.7 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 178.1 | -74.4 | 177.6 | 14.7 | 0 | 0 | 112.6 | Q103 Q104 E110 K111 | Q103-Q107 WeakPolarHBondContact O-CB 3.4Å; Q103-Q107 VanDerWaalsContact O-CG 3.29Å; Q103-Q107 WeakPolarHBondContact O-CG 3.49Å; Q103-Q107 PolarHBondContact O-N 2.87Å; Q104-Q107 PolarHBondContact O-N 2.7Å; Q107-E110 PolarHBondContact O-N 3.12Å; Q107-K111 WeakPolarHBondContact O-CB 3.33Å; Q107-K111 VanDerWaalsContact O-CG 3.23Å; Q107-K111 WeakPolarHBondContact O-CG 3.38Å; Q107-K111 PolarHBondContact O-N 2.64Å |
| 108 | E | 90.9 | Very high | 89.4 | Confident | 139 Ų | 139 | 95 Ų | 95 | 65% | 0.65 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 176.8 | -72.5 | 176.3 | -177.4 | 0 | 0 | 111.6 | Q104 A105 K106 K111 A112 | Q104-E108 WeakPolarHBondContact O-CG 3.44Å; Q104-E108 PolarHBondContact O-N 3.43Å; A105-E108 PolarHBondContact O-N 3.4Å; K106-E108 PolarHBondContact O-N 3.08Å; E108-K111 PolarHBondContact O-N 3.41Å; E108-A112 PolarHBondContact O-N 3.21Å |
| 109 | T | 89.8 | Confident | 89.4 | Confident | 70 Ų | 70 | 98.7 Ų | 98.7 | 43% | 0.429 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 178.1 | 62.6 | 0 | 0 | 0 | 0 | 112.5 | A105 K106 A112 K113 | A105-T109 VanDerWaalsContact O-CG2 3.32Å; A105-T109 WeakPolarHBondContact O-CG2 3.41Å; A105-T109 PolarHBondContact O-N 2.83Å; A105-T109 PolarHBondContact O-OG1 3.01Å; K106-T109 PolarHBondContact O-N 3.07Å; K106-T109 PolarHBondContact O-OG1 3.36Å; T109-A112 PolarHBondContact O-N 3.12Å; T109-K113 WeakPolarHBondContact O-CB 3.03Å; T109-K113 VanDerWaalsContact O-CG 3.26Å; T109-K113 WeakPolarHBondContact O-CG 3.37Å; T109-K113 PolarHBondContact O-N 2.8Å |
| 110 | E | 87.8 | Confident | 89.5 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 43% | 0.425 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 175.2 | -77.7 | 179.5 | 172.1 | 0 | 0 | 111.6 | K106 Q107 A112 K113 V114 | K106-E110 WeakPolarHBondContact CE-OE1 3.45Å; K106-E110 HydrophobicContact CG-CG 4.42Å; K106-E110 IonicContact NZ-OE1 2.71Å; K106-E110 WeakPolarHBondContact O-CB 3.11Å; K106-E110 WeakPolarHBondContact O-CG 3.29Å; K106-E110 PolarHBondContact O-N 3.1Å; Q107-E110 PolarHBondContact O-N 3.12Å; E110-A112 VanDerWaalsContact C-N 3.32Å; E110-A112 PolarHBondContact O-N 3.15Å; E110-K113 PolarHBondContact O-N 2.97Å; E110-V114 WeakPolarHBondContact O-CB 3.38Å; E110-V114 VanDerWaalsContact O-CG2 3.23Å; E110-V114 WeakPolarHBondContact O-CG2 3.39Å; E110-V114 PolarHBondContact O-N 2.72Å |
| 111 | K | 87.8 | Confident | 89.5 | Confident | 137 Ų | 137 | 101.2 Ų | 101.2 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.1 | -45.5 | 174.4 | -74.6 | 171.1 | -174.7 | 175.5 | 0 | 111.3 | Q107 E108 K113 V114 T115 | Q107-K111 WeakPolarHBondContact O-CB 3.33Å; Q107-K111 VanDerWaalsContact O-CG 3.23Å; Q107-K111 WeakPolarHBondContact O-CG 3.38Å; Q107-K111 PolarHBondContact O-N 2.64Å; E108-K111 PolarHBondContact O-N 3.41Å; K111-K113 PolarHBondContact O-N 2.91Å; K111-V114 PolarHBondContact O-N 3.04Å; K111-T115 PolarHBondContact O-N 3.35Å; K111-T115 PolarHBondContact O-OG1 2.78Å |
| 112 | A | 89.8 | Confident | 89.4 | Confident | 62 Ų | 62 | 100.8 Ų | 100.8 | 51% | 0.512 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E108 T109 E110 A116 | E108-A112 PolarHBondContact O-N 3.21Å; T109-A112 PolarHBondContact O-N 3.12Å; E110-A112 VanDerWaalsContact C-N 3.32Å; E110-A112 PolarHBondContact O-N 3.15Å; A112-A116 WeakPolarHBondContact O-CB 3.39Å; A112-A116 PolarHBondContact O-N 3.41Å |
| 113 | K | 87.7 | Confident | 89 | Confident | 131 Ų | 131 | 101.3 Ų | 101.3 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 176.5 | -75.3 | 172.9 | -176.4 | 176.9 | 0 | 112.3 | T109 E110 K111 A116 L117 | T109-K113 WeakPolarHBondContact O-CB 3.03Å; T109-K113 VanDerWaalsContact O-CG 3.26Å; T109-K113 WeakPolarHBondContact O-CG 3.37Å; T109-K113 PolarHBondContact O-N 2.8Å; E110-K113 PolarHBondContact O-N 2.97Å; K111-K113 PolarHBondContact O-N 2.91Å; K113-A116 PolarHBondContact O-N 3.42Å; K113-L117 WeakPolarHBondContact O-CB 3.4Å; K113-L117 VanDerWaalsContact O-CG 3.28Å; K113-L117 WeakPolarHBondContact O-CG 3.31Å; K113-L117 PolarHBondContact O-N 3.35Å |
| 114 | V | 87.8 | Confident | 88.5 | Confident | 76 Ų | 76 | 101.3 Ų | 101.3 | 46% | 0.461 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 179.5 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | E110 K111 L117 K118 I124 | E110-V114 WeakPolarHBondContact O-CB 3.38Å; E110-V114 VanDerWaalsContact O-CG2 3.23Å; E110-V114 WeakPolarHBondContact O-CG2 3.39Å; E110-V114 PolarHBondContact O-N 2.72Å; K111-V114 PolarHBondContact O-N 3.04Å; V114-L117 PolarHBondContact O-N 3.12Å; V114-K118 VanDerWaalsContact O-CB 3.31Å; V114-K118 WeakPolarHBondContact O-CB 3.5Å; V114-K118 PolarHBondContact O-N 3.1Å; V114-I124 HydrophobicContact CG2-CD1 4.34Å |
| 115 | T | 88.3 | Confident | 87.6 | Confident | 80 Ų | 80 | 102.7 Ų | 102.7 | 49% | 0.491 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.7 | -49.7 | 174.7 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | K111 L117 K118 D119 | K111-T115 PolarHBondContact O-N 3.35Å; K111-T115 PolarHBondContact O-OG1 2.78Å; T115-L117 VanDerWaalsContact C-N 3.29Å; T115-L117 PolarHBondContact O-N 3.23Å; T115-K118 PolarHBondContact O-N 2.77Å; T115-D119 PolarHBondContact O-N 3.09Å |
| 116 | A | 90 | Very high | 86.3 | Confident | 49 Ų | 49 | 109 Ų | 109 | 41% | 0.405 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -32.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A112 K113 R120 | A112-A116 WeakPolarHBondContact O-CB 3.39Å; A112-A116 PolarHBondContact O-N 3.41Å; K113-A116 PolarHBondContact O-N 3.42Å; A116-R120 WeakPolarHBondContact O-CG 3.49Å |
| 117 | L | 89.1 | Confident | 84.9 | Confident | 48 Ų | 48 | 106.6 Ų | 106.6 | 25% | 0.251 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -78.4 | -37.4 | 176.5 | -72.4 | 167.8 | 0 | 0 | 0 | 112.1 | K113 V114 T115 D119 R120 G121 L122 I124 | K113-L117 WeakPolarHBondContact O-CB 3.4Å; K113-L117 VanDerWaalsContact O-CG 3.28Å; K113-L117 WeakPolarHBondContact O-CG 3.31Å; K113-L117 PolarHBondContact O-N 3.35Å; V114-L117 PolarHBondContact O-N 3.12Å; T115-L117 VanDerWaalsContact C-N 3.29Å; T115-L117 PolarHBondContact O-N 3.23Å; L117-D119 VanDerWaalsContact C-N 3.31Å; L117-D119 PolarHBondContact O-N 2.98Å; L117-R120 CarbonylContact O-C 3.45Å; L117-R120 WeakPolarHBondContact O-CA 3.41Å; L117-R120 WeakPolarHBondContact O-CB 2.97Å; L117-R120 PolarHBondContact O-N 3.03Å; L117-G121 PolarHBondContact O-N 3.25Å; L117-L122 CarbonylContact C-O 3.34Å; L117-L122 HydrophobicContact CB-CB 4.3Å; L117-L122 HydrophobicContact CD2-CB 4.4Å; L117-L122 HydrophobicContact CD2-CD1 3.91Å; L117-L122 PolarHBondContact O-N 3.44Å; L117-I124 HydrophobicContact CD1-CD1 3.26Å; L117-I124 HydrophobicContact CD1-CG1 3.76Å |
| 118 | K | 89 | Confident | 83.2 | Confident | 163 Ų | 163 | 108.7 Ų | 108.7 | 71% | 0.709 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.2 | -41.6 | 175.1 | -172.4 | -179.6 | 179.4 | -176 | 0 | 111.3 | V114 T115 R120 G121 | V114-K118 VanDerWaalsContact O-CB 3.31Å; V114-K118 WeakPolarHBondContact O-CB 3.5Å; V114-K118 PolarHBondContact O-N 3.1Å; T115-K118 PolarHBondContact O-N 2.77Å; K118-R120 PolarHBondContact O-N 3.01Å; K118-G121 PolarHBondContact O-N 3.44Å |
| 119 | D | 90.9 | Very high | 81.1 | Confident | 132 Ų | 132 | 107.7 Ų | 107.7 | 71% | 0.706 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -21.9 | 175 | -66.4 | -16.5 | 0 | 0 | 0 | 112.7 | T115 L117 | T115-D119 PolarHBondContact O-N 3.09Å; L117-D119 VanDerWaalsContact C-N 3.31Å; L117-D119 PolarHBondContact O-N 2.98Å |
| 120 | R | 93 | Very high | 79.3 | Confident | 200 Ų | 200 | 109.4 Ų | 109.4 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 7 | 175.6 | -64.6 | 176.4 | -179.2 | -170.1 | -0.1 | 113.4 | A116 L117 K118 L122 | A116-R120 WeakPolarHBondContact O-CG 3.49Å; L117-R120 CarbonylContact O-C 3.45Å; L117-R120 WeakPolarHBondContact O-CA 3.41Å; L117-R120 WeakPolarHBondContact O-CB 2.97Å; L117-R120 PolarHBondContact O-N 3.03Å; K118-R120 PolarHBondContact O-N 3.01Å; R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 2.97Å |
| 121 | G | 89.4 | Confident | 77.3 | Confident | 71 Ų | 71 | 112.3 Ų | 112.3 | 73% | 0.732 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74 | 14.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L117 K118 | L117-G121 PolarHBondContact O-N 3.25Å; K118-G121 PolarHBondContact O-N 3.44Å |
| 122 | L | 89.2 | Confident | 74.7 | Confident | 106 Ų | 106 | 113.6 Ų | 113.6 | 56% | 0.555 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 129.6 | 177 | -64.5 | 172.4 | 0 | 0 | 0 | 110.1 | L117 R120 | L117-L122 CarbonylContact C-O 3.34Å; L117-L122 HydrophobicContact CB-CB 4.3Å; L117-L122 HydrophobicContact CD2-CB 4.4Å; L117-L122 HydrophobicContact CD2-CD1 3.91Å; L117-L122 PolarHBondContact O-N 3.44Å; R120-L122 VanDerWaalsContact C-N 3.29Å; R120-L122 PolarHBondContact O-N 2.97Å |
| 123 | S | 82.1 | Confident | 72.1 | Confident | 114 Ų | 114 | 124.6 Ų | 124.6 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 129 | 170.8 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 124 | I | 76.7 | Confident | 71.4 | Confident | 100 Ų | 100 | 124.3 Ų | 124.3 | 51% | 0.513 | 66% | 0.66 | S | S | . | * | P | Polyproline II helix | trans | -87.7 | 121.5 | 165.5 | -58.3 | 170.8 | 0 | 0 | 0 | 106.5 | V114 L117 K126 | V114-I124 HydrophobicContact CG2-CD1 4.34Å; L117-I124 HydrophobicContact CD1-CD1 3.26Å; L117-I124 HydrophobicContact CD1-CG1 3.76Å; I124-K126 PolarHBondContact O-N 3.46Å |
| 125 | P | 72.8 | Confident | 70.5 | Confident | 110 Ų | 110 | 126.8 Ų | 126.8 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -60 | 124.7 | 169.7 | 24.6 | -30.4 | 0 | 0 | 0 | 108.1 | A127 | P125-A127 PolarHBondContact O-N 3.38Š|
| 126 | K | 64.4 | Low | 69.5 | Low | 184 Ų | 184 | 129.4 Ų | 129.4 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 129.5 | 171.4 | -72.7 | -174.9 | 176.6 | -177.7 | 0 | 107.1 | I124 | I124-K126 PolarHBondContact O-N 3.46Š|
| 127 | A | 59.5 | Low | 68.3 | Low | 74 Ų | 74 | 134.1 Ų | 134.1 | 61% | 0.612 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 140.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | P125 N129 | P125-A127 PolarHBondContact O-N 3.38Å; A127-N129 PolarHBondContact O-N 3Å |
| 128 | D | 51.9 | Low | 67 | Low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -59.6 | 81.5 | 174 | -68 | -35.1 | 0 | 0 | 0 | 109.1 | L130 | D128-L130 PolarHBondContact O-N 3.28Š| ||
| 129 | N | 46.5 | Very low | 65.5 | Low | 118 Ų | 118 | 137.9 Ų | 137.9 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | trans | -76.6 | 111.1 | 169.4 | -73.8 | -9.3 | 0 | 0 | 0 | 105.3 | A127 D131 | A127-N129 PolarHBondContact O-N 3Å; N129-D131 PolarHBondContact O-N 3.18Å | ||
| 130 | L | 51 | Low | 63.7 | Low | 106 Ų | 106 | 138.4 Ų | 138.4 | 56% | 0.555 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | 14.8 | 175.8 | -80.8 | 133.2 | 0 | 0 | 0 | 114.5 | R23 D128 E132 | R23-L130 HydrophobicContact CG-CD1 4.42Å; D128-L130 PolarHBondContact O-N 3.28Å; L130-E132 PolarHBondContact O-N 3.4Å |
| 131 | D | 46.7 | Very low | 61.5 | Low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 0.3 | 176.9 | -64.1 | -28.7 | 0 | 0 | 0 | 112.7 | N129 | N129-D131 PolarHBondContact O-N 3.18Š|
| 132 | E | 33.5 | Very low | 59.1 | Low | 163 Ų | 163 | 138.8 Ų | 138.8 | 76% | 0.762 | 72% | 0.723 | S | S | * | * | trans | -114.5 | 59.3 | 172.3 | -74.2 | -176.8 | -178.9 | 0 | 0 | 111.4 | L130 | L130-E132 PolarHBondContact O-N 3.4Š| ||
| 133 | Y | 35.3 | Very low | 56.4 | Low | 293 Ų | 293 | 141.8 Ų | 141.8 | 100% | 1.149 | 74% | 0.739 | S | S | * | * | trans | -148.5 | 0 | 154.9 | -89.3 | -75.4 | 0 | 0 | 0 | 111.5 |
Retrieved 133 of 133 residues in 775.1 ms
(Link to these results)