| 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 | G | 52.8 | Low | 86 | Confident | 117 Ų | 117 | 108.6 Ų | 108.6 | 100% | 1.206 | 58% | 0.577 | S | S | * | * | 0 | 119.4 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | M3 | G1-M3 PolarHBondContact O-N 2.74Å; G1-M3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | N | 60.5 | Low | 86.6 | Confident | 114 Ų | 114 | 106.5 Ų | 106.5 | 61% | 0.61 | 57% | 0.566 | S | S | * | * | trans | -73.6 | 95.9 | 170.8 | -86.2 | -11.2 | 0 | 0 | 0 | 108.7 | P4 R39 | N2-P4 WeakPolarHBondContact O-CD 3.29Å; N2-R39 PolarHBondContact ND2-NH1 2.81Å; N2-R39 VanDerWaalsContact OD1-CZ 3.25Å; N2-R39 PolarHBondContact OD1-NH1 2.78Å; N2-R39 PolarHBondContact OD1-NH2 2.8Å | ||
| 3 | M | 79.8 | Confident | 87.2 | Confident | 98 Ų | 98 | 98.3 Ų | 98.3 | 48% | 0.483 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 114.8 | 168.4 | -77.5 | -172 | -117.6 | 0 | 0 | 108.5 | G1 Y43 L44 | G1-M3 PolarHBondContact O-N 2.74Å; G1-M3 VanDerWaalsContact O-N 3.1Å; M3-Y43 HydrophobicContact CB-CD1 3.8Å; M3-Y43 HydrophobicContact CB-CE1 3.88Å; M3-Y43 WeakPolarHBondContact O-CD1 3.18Å; M3-Y43 HydrophobicContact SD-CE1 4.43Å; M3-L44 PolarHBondContact O-N 2.82Å |
| 4 | P | 91.2 | Very high | 87.6 | Confident | 96 Ų | 96 | 94.3 Ų | 94.3 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 144.3 | 171.5 | 30.5 | -32.3 | 0 | 0 | 0 | 110 | N2 L44 | N2-P4 WeakPolarHBondContact O-CD 3.29Å; P4-L44 CarbonylContact C-O 3.46Å; P4-L44 VanDerWaalsContact CA-O 3.3Å; P4-L44 WeakPolarHBondContact CA-O 3.37Å |
| 5 | R | 95.3 | Very high | 87.9 | Confident | 122 Ų | 122 | 95.7 Ų | 95.7 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 134.7 | 172.1 | -70.1 | -79.8 | -173.8 | -161.1 | -1.1 | 108 | Y43 L44 Y45 T46 | R5-Y43 HydrophobicContact CG-CD1 4Å; R5-Y43 HydrophobicContact CG-CG 4.07Å; R5-L44 PolarHBondContact N-O 2.81Å; R5-Y45 HydrophobicContact CB-CD1 3.49Å; R5-Y45 VanDerWaalsContact CB-CD1 3.49Å; R5-Y45 HydrophobicContact CB-CE1 3.72Å; R5-Y45 HydrophobicContact CB-CG 4.28Å; R5-Y45 HydrophobicContact CG-CD1 4.26Å; R5-Y45 HydrophobicContact CG-CE1 4Å; R5-Y45 CarbonylContact O-C 3.51Å; R5-Y45 VanDerWaalsContact O-CA 3.27Å; R5-Y45 WeakPolarHBondContact O-CA 3.3Å; R5-T46 PolarHBondContact O-N 3.44Å |
| 6 | K | 95.4 | Very high | 88.2 | Confident | 143 Ų | 143 | 90.8 Ų | 90.8 | 62% | 0.622 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 138 | 170.6 | -173 | -173.8 | 173.3 | -150.4 | 0 | 108.6 | E8 T46 | K6-E8 HydrophobicContact CD-CG 4.47Å; K6-E8 IonicContact NZ-OE1 2.74Å; K6-E8 PolarHBondContact NZ-OE1 2.74Å; K6-T46 WeakPolarHBondContact CA-O 3.46Å |
| 7 | I | 95.9 | Very high | 88.4 | Confident | 13 Ų | 13 | 85.6 Ų | 85.6 | 7% | 0.067 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.6 | 165 | -62.1 | -179.9 | 0 | 0 | 0 | 106.6 | E9 D12 F13 T16 Y45 T46 L47 | I7-E9 VanDerWaalsContact CG2-O 3.23Å; I7-E9 WeakPolarHBondContact CG2-O 3.31Å; I7-D12 HydrophobicContact CG2-CB 3.68Å; I7-F13 HydrophobicContact CD1-CB 4.44Å; I7-F13 HydrophobicContact CG2-CB 4.15Å; I7-T16 HydrophobicContact CD1-CG2 4.3Å; I7-Y45 HydrophobicContact CD1-CD1 3.81Å; I7-Y45 HydrophobicContact CD1-CG 3.95Å; I7-Y45 HydrophobicContact CG1-CD1 3.86Å; I7-Y45 HydrophobicContact CG1-CG 4.36Å; I7-T46 PolarHBondContact N-O 2.82Å; I7-L47 WeakPolarHBondContact O-CD1 3.37Å |
| 8 | E | 94.1 | Very high | 88.6 | Confident | 142 Ų | 142 | 89.8 Ų | 89.8 | 66% | 0.664 | 46% | 0.464 | S | S | * | . | trans | -98.8 | -37.7 | -178.7 | -52.7 | -157.5 | 139.4 | 0 | 0 | 111.5 | K6 | K6-E8 HydrophobicContact CD-CG 4.47Å; K6-E8 IonicContact NZ-OE1 2.74Å; K6-E8 PolarHBondContact NZ-OE1 2.74Å | ||
| 9 | E | 95.3 | Very high | 88.7 | Confident | 119 Ų | 119 | 90.3 Ų | 90.3 | 56% | 0.556 | 46% | 0.459 | S | S | * | . | trans | -93.9 | 138.2 | -176.8 | -68 | -61.8 | 153.4 | 0 | 0 | 113.2 | I7 K11 D12 F13 | I7-E9 VanDerWaalsContact CG2-O 3.23Å; I7-E9 WeakPolarHBondContact CG2-O 3.31Å; E9-K11 VanDerWaalsContact C-N 3.27Å; E9-K11 PolarHBondContact O-N 2.94Å; E9-D12 HydrophobicContact CB-CB 4.33Å; E9-D12 PolarHBondContact O-N 2.86Å; E9-F13 PolarHBondContact O-N 3.4Å | ||
| 10 | I | 93 | Very high | 88.9 | Confident | 66 Ų | 66 | 97 Ų | 97 | 34% | 0.338 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 176.7 | -64.6 | 174.5 | 0 | 0 | 0 | 110.9 | F13 L14 L47 I49 L58 | I10-F13 WeakPolarHBondContact O-CB 3.41Å; I10-F13 PolarHBondContact O-N 2.91Å; I10-L14 HydrophobicContact CG2-CD1 4.19Å; I10-L14 HydrophobicContact CG2-CG 4.42Å; I10-L14 WeakPolarHBondContact O-CG 3.36Å; I10-L14 PolarHBondContact O-N 2.84Å; I10-L47 HydrophobicContact CG1-CD2 4.13Å; I10-I49 HydrophobicContact CD1-CD1 4.4Å; I10-I49 HydrophobicContact CG1-CD1 4.48Å; I10-L58 HydrophobicContact CG2-CD1 3.74Å; I10-L58 HydrophobicContact CG2-CD2 4.43Å |
| 11 | K | 92.4 | Very high | 89 | Confident | 165 Ų | 165 | 94.3 Ų | 94.3 | 72% | 0.717 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.2 | -48.9 | 179 | -70.5 | -179.9 | 179.3 | 177 | 0 | 111.2 | E9 F13 L14 L15 | E9-K11 VanDerWaalsContact C-N 3.27Å; E9-K11 PolarHBondContact O-N 2.94Å; K11-F13 VanDerWaalsContact C-N 3.27Å; K11-F13 PolarHBondContact O-N 3.1Å; K11-L14 PolarHBondContact O-N 2.79Å; K11-L15 WeakPolarHBondContact O-CG 3.24Å; K11-L15 PolarHBondContact O-N 2.84Å |
| 12 | D | 94.1 | Very high | 90.9 | Very high | 83 Ų | 83 | 89.4 Ų | 89.4 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.6 | -35.5 | 178.9 | -68.2 | -11.1 | 0 | 0 | 0 | 112.1 | I7 E9 T16 | I7-D12 HydrophobicContact CG2-CB 3.68Å; E9-D12 HydrophobicContact CB-CB 4.33Å; E9-D12 PolarHBondContact O-N 2.86Å; D12-T16 WeakPolarHBondContact O-CB 3.32Å; D12-T16 PolarHBondContact O-N 3.02Å; D12-T16 PolarHBondContact O-OG1 3.39Å |
| 13 | F | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 90.2 Ų | 90.2 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 174.7 | 174.7 | -95.4 | 0 | 0 | 0 | 111.7 | I7 E9 I10 K11 T16 A17 V25 F36 V38 L47 L58 L62 | I7-F13 HydrophobicContact CD1-CB 4.44Å; I7-F13 HydrophobicContact CG2-CB 4.15Å; E9-F13 PolarHBondContact O-N 3.4Å; I10-F13 WeakPolarHBondContact O-CB 3.41Å; I10-F13 PolarHBondContact O-N 2.91Å; K11-F13 VanDerWaalsContact C-N 3.27Å; K11-F13 PolarHBondContact O-N 3.1Å; F13-T16 PolarHBondContact O-N 2.89Å; F13-A17 WeakPolarHBondContact O-CB 3.27Å; F13-A17 PolarHBondContact O-N 2.9Å; F13-V25 HydrophobicContact CZ-CG1 4.43Å; F13-F36 HydrophobicContact CD2-CB 4.44Å; F13-F36 HydrophobicContact CE1-CB 4.13Å; F13-F36 HydrophobicContact CE1-CD1 4.49Å; F13-F36 HydrophobicContact CE2-CB 3.66Å; F13-F36 HydrophobicContact CZ-CB 3.5Å; F13-F36 VanDerWaalsContact CZ-CB 3.5Å; F13-F36 HydrophobicContact CZ-CD1 4.35Å; F13-F36 HydrophobicContact CZ-CG 4.28Å; F13-V38 HydrophobicContact CD2-CG1 4.42Å; F13-V38 HydrophobicContact CE2-CB 4.2Å; F13-V38 HydrophobicContact CE2-CG1 4.09Å; F13-L47 HydrophobicContact CB-CB 4.22Å; F13-L47 HydrophobicContact CB-CD2 3.73Å; F13-L47 HydrophobicContact CB-CG 4.48Å; F13-L47 HydrophobicContact CD1-CD2 4.04Å; F13-L47 HydrophobicContact CD2-CB 3.74Å; F13-L47 HydrophobicContact CD2-CD2 4.3Å; F13-L47 HydrophobicContact CE2-CB 4.41Å; F13-L47 HydrophobicContact CG-CB 4.02Å; F13-L47 HydrophobicContact CG-CD2 3.74Å; F13-L58 HydrophobicContact CD1-CD1 4.37Å; F13-L58 HydrophobicContact CD1-CD2 4.11Å; F13-L58 HydrophobicContact CE1-CD2 4.21Å; F13-L62 HydrophobicContact CE1-CD2 3.73Å; F13-L62 HydrophobicContact CZ-CD2 4.25Å |
| 14 | L | 92.2 | Very high | 92.9 | Very high | 42 Ų | 42 | 86.9 Ų | 86.9 | 22% | 0.22 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 177.5 | -71.4 | 173.8 | 0 | 0 | 0 | 112 | I10 K11 T16 A17 R18 L58 | I10-L14 HydrophobicContact CG2-CD1 4.19Å; I10-L14 HydrophobicContact CG2-CG 4.42Å; I10-L14 WeakPolarHBondContact O-CG 3.36Å; I10-L14 PolarHBondContact O-N 2.84Å; K11-L14 PolarHBondContact O-N 2.79Å; L14-T16 VanDerWaalsContact C-N 3.32Å; L14-A17 PolarHBondContact O-N 3.42Å; L14-R18 WeakPolarHBondContact O-CG 3.48Å; L14-R18 PolarHBondContact O-N 3.09Å; L14-L58 HydrophobicContact CD1-CD1 4.49Å; L14-L58 HydrophobicContact CD2-CD1 3.81Å; L14-L58 HydrophobicContact CG-CD1 4.17Å |
| 15 | L | 92.7 | Very high | 93 | Very high | 116 Ų | 116 | 82.3 Ų | 82.3 | 61% | 0.607 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.3 | -43.7 | 172.5 | -69.7 | 175.4 | 0 | 0 | 0 | 110.9 | K11 A17 R18 R19 | K11-L15 WeakPolarHBondContact O-CG 3.24Å; K11-L15 PolarHBondContact O-N 2.84Å; L15-A17 PolarHBondContact O-N 2.93Å; L15-R18 PolarHBondContact O-N 3.48Å; L15-R19 PolarHBondContact O-N 3.5Å |
| 16 | T | 92.8 | Very high | 92.9 | Very high | 16 Ų | 16 | 80.9 Ų | 80.9 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 178.7 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | I7 D12 F13 L14 R18 R19 V38 Y45 | I7-T16 HydrophobicContact CD1-CG2 4.3Å; D12-T16 WeakPolarHBondContact O-CB 3.32Å; D12-T16 PolarHBondContact O-N 3.02Å; D12-T16 PolarHBondContact O-OG1 3.39Å; F13-T16 PolarHBondContact O-N 2.89Å; L14-T16 VanDerWaalsContact C-N 3.32Å; T16-R18 VanDerWaalsContact C-N 3.25Å; T16-R18 PolarHBondContact O-N 2.83Å; T16-R19 WeakPolarHBondContact O-CB 3.38Å; T16-R19 PolarHBondContact O-N 2.84Å; T16-V38 HydrophobicContact CG2-CG1 3.58Å; T16-Y45 HydrophobicContact CG2-CD2 3.64Å; T16-Y45 HydrophobicContact CG2-CE2 4.03Å; T16-Y45 HydrophobicContact CG2-CG 3.95Å |
| 17 | A | 91.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 74.1 Ų | 74.1 | 3% | 0.025 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.4 | -24.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F13 L14 L15 L67 | F13-A17 WeakPolarHBondContact O-CB 3.27Å; F13-A17 PolarHBondContact O-N 2.9Å; L14-A17 PolarHBondContact O-N 3.42Å; L15-A17 PolarHBondContact O-N 2.93Å; A17-L67 HydrophobicContact CB-CD2 4.32Å |
| 18 | R | 90.9 | Very high | 92.9 | Very high | 162 Ų | 162 | 75.9 Ų | 75.9 | 61% | 0.611 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -3.5 | 177.1 | -66.8 | 177.7 | -165 | -86.8 | -0.5 | 113.8 | L14 L15 T16 P63 | L14-R18 WeakPolarHBondContact O-CG 3.48Å; L14-R18 PolarHBondContact O-N 3.09Å; L15-R18 PolarHBondContact O-N 3.48Å; T16-R18 VanDerWaalsContact C-N 3.25Å; T16-R18 PolarHBondContact O-N 2.83Å; R18-P63 HydrophobicContact CG-CG 4.39Å |
| 19 | R | 91.6 | Very high | 92.9 | Very high | 99 Ų | 99 | 73 Ų | 73 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -64.6 | 143.8 | 178.6 | -70.8 | 166.7 | 52.6 | 161 | -2 | 110.9 | L15 T16 D21 A22 Y45 | L15-R19 PolarHBondContact O-N 3.5Å; T16-R19 WeakPolarHBondContact O-CB 3.38Å; T16-R19 PolarHBondContact O-N 2.84Å; R19-D21 WeakPolarHBondContact CB-OD1 3.3Å; R19-D21 IonicContact CZ-OD1 3.85Å; R19-D21 IonicContact CZ-OD2 3.37Å; R19-D21 IonicContact NE-OD1 2.61Å; R19-D21 PolarHBondContact NE-OD1 3.39Å; R19-D21 IonicContact NE-OD2 2.79Å; R19-D21 VanDerWaalsContact NH2-CG 3.34Å; R19-D21 IonicContact NH2-OD1 3.26Å; R19-D21 PolarHBondContact NH2-OD1 3.2Å; R19-D21 VanDerWaalsContact NH2-OD1 3.13Å; R19-D21 IonicContact NH2-OD2 3.13Å; R19-D21 PolarHBondContact NH2-OD2 2.91Å; R19-D21 PolarHBondContact O-N 3.19Å; R19-D21 VanDerWaalsContact O-N 3.13Å; R19-A22 WeakPolarHBondContact O-CB 3.34Å; R19-A22 PolarHBondContact O-N 3.02Å; R19-Y45 PolarHBondContact NH1-OH 3.39Å |
| 20 | K | 91.2 | Very high | 92.9 | Very high | 223 Ų | 223 | 70.4 Ų | 70.4 | 97% | 0.97 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.4 | 176.6 | -171.8 | 179.9 | -179.9 | -179.3 | 0 | 113.7 | ||
| 21 | D | 91.9 | Very high | 92.9 | Very high | 42 Ų | 42 | 75.8 Ų | 75.8 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.1 | 179.7 | 76.1 | -42.8 | 0 | 0 | 0 | 113.8 | R19 C40 S41 | R19-D21 WeakPolarHBondContact CB-OD1 3.3Å; R19-D21 IonicContact CZ-OD1 3.85Å; R19-D21 IonicContact CZ-OD2 3.37Å; R19-D21 IonicContact NE-OD1 2.61Å; R19-D21 PolarHBondContact NE-OD1 3.39Å; R19-D21 IonicContact NE-OD2 2.79Å; R19-D21 VanDerWaalsContact NH2-CG 3.34Å; R19-D21 IonicContact NH2-OD1 3.26Å; R19-D21 PolarHBondContact NH2-OD1 3.2Å; R19-D21 VanDerWaalsContact NH2-OD1 3.13Å; R19-D21 IonicContact NH2-OD2 3.13Å; R19-D21 PolarHBondContact NH2-OD2 2.91Å; R19-D21 PolarHBondContact O-N 3.19Å; R19-D21 VanDerWaalsContact O-N 3.13Å; D21-C40 CarbonylContact O-C 3.47Å; D21-C40 VanDerWaalsContact O-CA 3.27Å; D21-C40 WeakPolarHBondContact O-CA 3.34Å; D21-S41 PolarHBondContact O-N 2.95Å |
| 22 | A | 91.7 | Very high | 93 | Very high | 14 Ų | 14 | 73.4 Ų | 73.4 | 12% | 0.116 | 34% | 0.341 | C | S | . | . | trans | -72.3 | 129.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | R19 V38 L67 | R19-A22 WeakPolarHBondContact O-CB 3.34Å; R19-A22 PolarHBondContact O-N 3.02Å; A22-V38 HydrophobicContact CB-CG2 4.03Å; A22-L67 HydrophobicContact CB-CD1 3.66Å; A22-L67 WeakPolarHBondContact O-CD1 3.37Å | ||
| 23 | K | 91.5 | Very high | 93 | Very high | 131 Ų | 131 | 71.3 Ų | 71.3 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | trans | -110.2 | -38.4 | -173.1 | -60.9 | -174.9 | 177.3 | -172 | 0 | 112.9 | R39 | K23-R39 PolarHBondContact N-O 3.3Š| ||
| 24 | S | 91.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 72 Ų | 72 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 155.8 | -179.3 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | V38 R39 A68 | S24-V38 WeakPolarHBondContact O-CA 3.42Å; S24-R39 PolarHBondContact O-N 2.96Å; S24-A68 CarbonylContact C-O 3.56Å; S24-A68 VanDerWaalsContact CA-O 3.28Å; S24-A68 WeakPolarHBondContact CA-O 3.17Å; S24-A68 WeakPolarHBondContact CB-O 3.39Å |
| 25 | V | 93.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 128.5 | 168.1 | 169.8 | 0 | 0 | 0 | 0 | 108.6 | F13 I27 K37 V38 L62 L67 A68 V69 K70 | F13-V25 HydrophobicContact CZ-CG1 4.43Å; V25-I27 HydrophobicContact CG1-CG1 4.14Å; V25-K37 CarbonylContact C-O 3.52Å; V25-K37 WeakPolarHBondContact CA-O 3.35Å; V25-V38 HydrophobicContact CG2-CB 3.97Å; V25-V38 HydrophobicContact CG2-CG2 4Å; V25-L62 HydrophobicContact CG1-CD1 4.15Å; V25-L67 HydrophobicContact CB-CD2 4.35Å; V25-L67 HydrophobicContact CG2-CD2 3.4Å; V25-L67 HydrophobicContact CG2-CG 4.44Å; V25-A68 PolarHBondContact N-O 3.2Å; V25-V69 CarbonylContact O-C 3.59Å; V25-V69 WeakPolarHBondContact O-CA 3.21Å; V25-K70 PolarHBondContact O-N 2.97Å |
| 26 | K | 93.9 | Very high | 93.5 | Very high | 92 Ų | 92 | 67.9 Ų | 67.9 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.3 | 171.2 | -60 | -177 | -175.9 | -179.7 | 0 | 109.2 | K37 K70 L72 | K26-K37 HydrophobicContact CB-CB 4.24Å; K26-K37 PolarHBondContact N-O 3.49Å; K26-K37 WeakPolarHBondContact O-CB 3.44Å; K26-K37 PolarHBondContact O-N 2.9Å; K26-K70 CarbonylContact C-O 3.6Å; K26-K70 VanDerWaalsContact CA-O 3.3Å; K26-K70 WeakPolarHBondContact CA-O 3.46Å; K26-L72 HydrophobicContact CB-CD1 4.04Å; K26-L72 HydrophobicContact CB-CG 4.36Å; K26-L72 HydrophobicContact CD-CD1 4.16Å |
| 27 | I | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.4 | 176.4 | -53.9 | 175.4 | 0 | 0 | 0 | 106.9 | V25 V34 F36 K59 L62 V69 K70 E71 L72 | V25-I27 HydrophobicContact CG1-CG1 4.14Å; I27-V34 HydrophobicContact CG2-CG1 3.67Å; I27-F36 HydrophobicContact CD1-CD1 4.2Å; I27-F36 HydrophobicContact CD1-CE1 3.86Å; I27-F36 HydrophobicContact CG1-CD1 3.87Å; I27-F36 HydrophobicContact CG1-CE1 3.97Å; I27-F36 HydrophobicContact CG2-CD1 4.4Å; I27-F36 HydrophobicContact CG2-CE1 4.09Å; I27-F36 HydrophobicContact CG2-CZ 4.35Å; I27-K59 HydrophobicContact CD1-CD 4.34Å; I27-K59 HydrophobicContact CD1-CG 3.92Å; I27-L62 HydrophobicContact CD1-CD1 3.96Å; I27-V69 HydrophobicContact CD1-CG1 3.83Å; I27-V69 HydrophobicContact CG1-CG1 4.32Å; I27-K70 PolarHBondContact N-O 3.33Å; I27-E71 HydrophobicContact CB-CG 4.48Å; I27-L72 PolarHBondContact O-N 3.45Å |
| 28 | K | 95.1 | Very high | 93.7 | Very high | 50 Ų | 50 | 69.7 Ų | 69.7 | 22% | 0.217 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 115.3 | 174.3 | -179.6 | 69.6 | -179.5 | 101.1 | 0 | 109 | V34 K35 L72 K73 | K28-V34 WeakPolarHBondContact O-CA 3.45Å; K28-K35 HydrophobicContact CB-CB 4.45Å; K28-K35 PolarHBondContact N-O 3.41Å; K28-K35 PolarHBondContact O-N 3.35Å; K28-L72 HydrophobicContact CB-CB 4.4Å; K28-L72 HydrophobicContact CB-CD1 4.44Å; K28-L72 HydrophobicContact CD-CB 3.69Å; K28-L72 HydrophobicContact CD-CD1 4.47Å; K28-K73 VanDerWaalsContact CE-O 3.31Å; K28-K73 WeakPolarHBondContact CE-O 3.49Å; K28-K73 PolarHBondContact NZ-O 2.65Å; K28-K73 PolarHBondContact NZ-OXT 3.28Å |
| 29 | K | 94.8 | Very high | 93.9 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 35% | 0.352 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.2 | 169.8 | -63.2 | -176.4 | 173.9 | -166.8 | 0 | 108.4 | V34 E56 | K29-V34 HydrophobicContact CG-CG1 4.3Å; K29-V34 HydrophobicContact CG-CG2 4.29Å; K29-E56 IonicContact NZ-OE1 3.93Å; K29-E56 PolarHBondContact NZ-OE1 3.36Å |
| 30 | N | 94.3 | Very high | 94 | Very high | 64 Ų | 64 | 59.5 Ų | 59.5 | 34% | 0.342 | 28% | 0.277 | S | S | . | . | trans | -112.2 | 177.2 | 168.7 | -55.8 | -44.9 | 0 | 0 | 0 | 108.5 | D32 N33 | N30-D32 PolarHBondContact O-N 2.86Å; N30-N33 CarbonylContact C-O 3.58Å; N30-N33 WeakPolarHBondContact CA-O 3.27Å; N30-N33 VanDerWaalsContact CB-O 3.3Å; N30-N33 WeakPolarHBondContact CB-O 3.4Å; N30-N33 PolarHBondContact N-O 2.92Å; N30-N33 PolarHBondContact ND2-OD1 2.88Å | ||
| 31 | K | 92.9 | Very high | 94 | Very high | 180 Ų | 180 | 52 Ų | 52 | 78% | 0.783 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -57.1 | -47.7 | 179.3 | -168 | -179.6 | 178.1 | -178.7 | 0 | 112.4 | ||
| 32 | D | 94.8 | Very high | 93.9 | Very high | 114 Ų | 114 | 57.9 Ų | 57.9 | 61% | 0.61 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -112.2 | -6.4 | -169.4 | -45.1 | -51.6 | 0 | 0 | 0 | 113.8 | N30 | N30-D32 PolarHBondContact O-N 2.86Š|
| 33 | N | 95.4 | Very high | 94 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | trans | -155.1 | 160.8 | 180 | 56.4 | 68.7 | 0 | 0 | 0 | 112.5 | N30 V48 I49 T50 | N30-N33 CarbonylContact C-O 3.58Å; N30-N33 WeakPolarHBondContact CA-O 3.27Å; N30-N33 VanDerWaalsContact CB-O 3.3Å; N30-N33 WeakPolarHBondContact CB-O 3.4Å; N30-N33 PolarHBondContact N-O 2.92Å; N30-N33 PolarHBondContact ND2-OD1 2.88Å; N33-V48 HydrophobicContact CB-CG1 3.84Å; N33-I49 CarbonylContact C-O 3.59Å; N33-I49 VanDerWaalsContact CA-O 3.29Å; N33-I49 WeakPolarHBondContact CA-O 3.49Å; N33-I49 WeakPolarHBondContact CB-O 3.23Å; N33-T50 HydrophobicContact CB-CG2 4.29Å | ||
| 34 | V | 96.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 9% | 0.085 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.8 | 169.6 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | I27 K28 K29 F36 I49 A55 | I27-V34 HydrophobicContact CG2-CG1 3.67Å; K28-V34 WeakPolarHBondContact O-CA 3.45Å; K29-V34 HydrophobicContact CG-CG1 4.3Å; K29-V34 HydrophobicContact CG-CG2 4.29Å; V34-F36 HydrophobicContact CB-CE2 4.11Å; V34-F36 HydrophobicContact CG1-CD2 4.16Å; V34-F36 HydrophobicContact CG1-CE2 3.58Å; V34-F36 HydrophobicContact CG1-CZ 3.94Å; V34-I49 PolarHBondContact N-O 3.18Å; V34-I49 PolarHBondContact O-N 2.73Å; V34-A55 HydrophobicContact CB-CB 3.87Å; V34-A55 HydrophobicContact CG1-CB 4.33Å; V34-A55 HydrophobicContact CG2-CB 3.8Å |
| 35 | K | 96.4 | Very high | 94.4 | Very high | 71 Ų | 71 | 55 Ų | 55 | 31% | 0.309 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.7 | 177 | -61 | -170.4 | 177 | 177.4 | 0 | 109.9 | K28 K37 T46 L47 V48 | K28-K35 HydrophobicContact CB-CB 4.45Å; K28-K35 PolarHBondContact N-O 3.41Å; K28-K35 PolarHBondContact O-N 3.35Å; K35-K37 HydrophobicContact CB-CG 4.48Å; K35-T46 HydrophobicContact CB-CG2 4.1Å; K35-T46 HydrophobicContact CD-CG2 4.39Å; K35-T46 HydrophobicContact CG-CG2 4.49Å; K35-L47 CarbonylContact C-O 3.55Å; K35-L47 WeakPolarHBondContact CA-O 3.47Å; K35-V48 HydrophobicContact CD-CG2 4.34Å; K35-V48 HydrophobicContact CG-CG1 4.3Å; K35-V48 HydrophobicContact CG-CG2 4.1Å |
| 36 | F | 96.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115 | 172.4 | -66.5 | -97.3 | 0 | 0 | 0 | 109 | F13 I27 V34 T46 L47 I49 A55 L58 K59 L62 | F13-F36 HydrophobicContact CD2-CB 4.44Å; F13-F36 HydrophobicContact CE1-CB 4.13Å; F13-F36 HydrophobicContact CE1-CD1 4.49Å; F13-F36 HydrophobicContact CE2-CB 3.66Å; F13-F36 HydrophobicContact CZ-CB 3.5Å; F13-F36 VanDerWaalsContact CZ-CB 3.5Å; F13-F36 HydrophobicContact CZ-CD1 4.35Å; F13-F36 HydrophobicContact CZ-CG 4.28Å; I27-F36 HydrophobicContact CD1-CD1 4.2Å; I27-F36 HydrophobicContact CD1-CE1 3.86Å; I27-F36 HydrophobicContact CG1-CD1 3.87Å; I27-F36 HydrophobicContact CG1-CE1 3.97Å; I27-F36 HydrophobicContact CG2-CD1 4.4Å; I27-F36 HydrophobicContact CG2-CE1 4.09Å; I27-F36 HydrophobicContact CG2-CZ 4.35Å; V34-F36 HydrophobicContact CB-CE2 4.11Å; V34-F36 HydrophobicContact CG1-CD2 4.16Å; V34-F36 HydrophobicContact CG1-CE2 3.58Å; V34-F36 HydrophobicContact CG1-CZ 3.94Å; F36-T46 CarbonylContact O-C 3.53Å; F36-T46 WeakPolarHBondContact O-CA 3.32Å; F36-L47 HydrophobicContact CB-CB 4.36Å; F36-L47 PolarHBondContact N-O 2.79Å; F36-L47 PolarHBondContact O-N 3.13Å; F36-I49 HydrophobicContact CD2-CD1 4.2Å; F36-I49 HydrophobicContact CD2-CG1 4.44Å; F36-I49 HydrophobicContact CE2-CD1 3.95Å; F36-I49 HydrophobicContact CE2-CG1 4.42Å; F36-A55 HydrophobicContact CE2-CB 4Å; F36-A55 HydrophobicContact CZ-CB 4.2Å; F36-A55 WeakPolarHBondContact CZ-O 3.35Å; F36-L58 HydrophobicContact CD1-CD2 4.27Å; F36-L58 HydrophobicContact CD2-CD2 3.98Å; F36-L58 HydrophobicContact CE1-CD2 4.3Å; F36-L58 HydrophobicContact CE1-CG 4.3Å; F36-L58 HydrophobicContact CE2-CD2 4.02Å; F36-L58 HydrophobicContact CG-CD2 4.13Å; F36-L58 HydrophobicContact CZ-CB 4.32Å; F36-L58 HydrophobicContact CZ-CD2 4.2Å; F36-L58 HydrophobicContact CZ-CG 4.36Å; F36-K59 HydrophobicContact CE1-CB 4.27Å; F36-K59 HydrophobicContact CZ-CB 4.47Å; F36-L62 HydrophobicContact CD1-CD1 4.36Å; F36-L62 HydrophobicContact CE1-CD1 4.37Å |
| 37 | K | 95.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 25% | 0.248 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 104.5 | -172.4 | -60 | -179.4 | 179.4 | -176.6 | 0 | 110.2 | V25 K26 K35 L44 Y45 T46 | V25-K37 CarbonylContact C-O 3.52Å; V25-K37 WeakPolarHBondContact CA-O 3.35Å; K26-K37 HydrophobicContact CB-CB 4.24Å; K26-K37 PolarHBondContact N-O 3.49Å; K26-K37 WeakPolarHBondContact O-CB 3.44Å; K26-K37 PolarHBondContact O-N 2.9Å; K35-K37 HydrophobicContact CB-CG 4.48Å; K37-L44 HydrophobicContact CB-CD1 4Å; K37-Y45 CarbonylContact C-O 3.56Å; K37-Y45 VanDerWaalsContact CA-O 3.27Å; K37-Y45 WeakPolarHBondContact CA-O 3.44Å; K37-T46 HydrophobicContact CG-CG2 4Å |
| 38 | V | 94.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125.9 | 174.1 | 61.8 | 0 | 0 | 0 | 0 | 110.5 | F13 T16 A22 S24 V25 L44 Y45 | F13-V38 HydrophobicContact CD2-CG1 4.42Å; F13-V38 HydrophobicContact CE2-CB 4.2Å; F13-V38 HydrophobicContact CE2-CG1 4.09Å; T16-V38 HydrophobicContact CG2-CG1 3.58Å; A22-V38 HydrophobicContact CB-CG2 4.03Å; S24-V38 WeakPolarHBondContact O-CA 3.42Å; V25-V38 HydrophobicContact CG2-CB 3.97Å; V25-V38 HydrophobicContact CG2-CG2 4Å; V38-L44 WeakPolarHBondContact O-CD1 3.3Å; V38-Y45 HydrophobicContact CG1-CD2 4.32Å; V38-Y45 HydrophobicContact CG1-CG 4.39Å; V38-Y45 PolarHBondContact N-O 2.74Å; V38-Y45 PolarHBondContact O-N 2.61Å |
| 39 | R | 94 | Very high | 94.9 | Very high | 46 Ų | 46 | 52.7 Ų | 52.7 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 113.4 | 176.1 | 179.2 | 65.6 | -132.7 | 178.4 | -6.7 | 109.4 | N2 K23 S24 S41 R42 L44 | N2-R39 PolarHBondContact ND2-NH1 2.81Å; N2-R39 VanDerWaalsContact OD1-CZ 3.25Å; N2-R39 PolarHBondContact OD1-NH1 2.78Å; N2-R39 PolarHBondContact OD1-NH2 2.8Å; K23-R39 PolarHBondContact N-O 3.3Å; S24-R39 PolarHBondContact O-N 2.96Å; R39-S41 PolarHBondContact NH2-O 3.03Å; R39-R42 PolarHBondContact NH2-O 2.92Å; R39-L44 HydrophobicContact CB-CD1 4.31Å |
| 40 | C | 93.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | trans | -99.4 | -173.6 | 170.9 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | D21 Y43 Y45 | D21-C40 CarbonylContact O-C 3.47Å; D21-C40 VanDerWaalsContact O-CA 3.27Å; D21-C40 WeakPolarHBondContact O-CA 3.34Å; C40-Y43 PolarHBondContact N-O 3.26Å; C40-Y45 HydrophobicContact CB-CD2 4.39Å; C40-Y45 HydrophobicContact CB-CE2 4.11Å | ||
| 41 | S | 91.7 | Very high | 95 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 47% | 0.469 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -60.6 | -52.2 | 177 | -73 | 0 | 0 | 0 | 0 | 112.2 | D21 R39 | D21-S41 PolarHBondContact O-N 2.95Å; R39-S41 PolarHBondContact NH2-O 3.03Å |
| 42 | R | 90.9 | Very high | 94.9 | Very high | 164 Ų | 164 | 52.5 Ų | 52.5 | 62% | 0.619 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -96.1 | -47.1 | -175.4 | -172.5 | 172.2 | 177.9 | 178.4 | -0.2 | 113.6 | R39 | R39-R42 PolarHBondContact NH2-O 2.92Š|
| 43 | Y | 93.6 | Very high | 94.8 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 156 | -169.9 | -58.2 | -68.7 | 0 | 0 | 0 | 112.7 | M3 R5 C40 Y45 | M3-Y43 HydrophobicContact CB-CD1 3.8Å; M3-Y43 HydrophobicContact CB-CE1 3.88Å; M3-Y43 WeakPolarHBondContact O-CD1 3.18Å; M3-Y43 HydrophobicContact SD-CE1 4.43Å; R5-Y43 HydrophobicContact CG-CD1 4Å; R5-Y43 HydrophobicContact CG-CG 4.07Å; C40-Y43 PolarHBondContact N-O 3.26Å; Y43-Y45 HydrophobicContact CD2-CE2 4.44Å; Y43-Y45 WeakPolarHBondContact CD2-OH 3.03Å |
| 44 | L | 95.1 | Very high | 94.7 | Very high | 41 Ų | 41 | 57.5 Ų | 57.5 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 112 | 162.2 | 177.8 | 68.2 | 0 | 0 | 0 | 107.8 | M3 P4 R5 K37 V38 R39 | M3-L44 PolarHBondContact O-N 2.82Å; P4-L44 CarbonylContact C-O 3.46Å; P4-L44 VanDerWaalsContact CA-O 3.3Å; P4-L44 WeakPolarHBondContact CA-O 3.37Å; R5-L44 PolarHBondContact N-O 2.81Å; K37-L44 HydrophobicContact CB-CD1 4Å; V38-L44 WeakPolarHBondContact O-CD1 3.3Å; R39-L44 HydrophobicContact CB-CD1 4.31Å |
| 45 | Y | 95.8 | Very high | 94.6 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 14% | 0.141 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.3 | 176.4 | -61.3 | -94.1 | 0 | 0 | 0 | 110.1 | R5 I7 T16 R19 K37 V38 C40 Y43 | R5-Y45 HydrophobicContact CB-CD1 3.49Å; R5-Y45 VanDerWaalsContact CB-CD1 3.49Å; R5-Y45 HydrophobicContact CB-CE1 3.72Å; R5-Y45 HydrophobicContact CB-CG 4.28Å; R5-Y45 HydrophobicContact CG-CD1 4.26Å; R5-Y45 HydrophobicContact CG-CE1 4Å; R5-Y45 CarbonylContact O-C 3.51Å; R5-Y45 VanDerWaalsContact O-CA 3.27Å; R5-Y45 WeakPolarHBondContact O-CA 3.3Å; I7-Y45 HydrophobicContact CD1-CD1 3.81Å; I7-Y45 HydrophobicContact CD1-CG 3.95Å; I7-Y45 HydrophobicContact CG1-CD1 3.86Å; I7-Y45 HydrophobicContact CG1-CG 4.36Å; T16-Y45 HydrophobicContact CG2-CD2 3.64Å; T16-Y45 HydrophobicContact CG2-CE2 4.03Å; T16-Y45 HydrophobicContact CG2-CG 3.95Å; R19-Y45 PolarHBondContact NH1-OH 3.39Å; K37-Y45 CarbonylContact C-O 3.56Å; K37-Y45 VanDerWaalsContact CA-O 3.27Å; K37-Y45 WeakPolarHBondContact CA-O 3.44Å; V38-Y45 HydrophobicContact CG1-CD2 4.32Å; V38-Y45 HydrophobicContact CG1-CG 4.39Å; V38-Y45 PolarHBondContact N-O 2.74Å; V38-Y45 PolarHBondContact O-N 2.61Å; C40-Y45 HydrophobicContact CB-CD2 4.39Å; C40-Y45 HydrophobicContact CB-CE2 4.11Å; Y43-Y45 HydrophobicContact CD2-CE2 4.44Å; Y43-Y45 WeakPolarHBondContact CD2-OH 3.03Å |
| 46 | T | 96.9 | Very high | 94.4 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.1 | -180 | -56.2 | 0 | 0 | 0 | 0 | 110.3 | R5 K6 I7 K35 F36 K37 V48 | R5-T46 PolarHBondContact O-N 3.44Å; K6-T46 WeakPolarHBondContact CA-O 3.46Å; I7-T46 PolarHBondContact N-O 2.82Å; K35-T46 HydrophobicContact CB-CG2 4.1Å; K35-T46 HydrophobicContact CD-CG2 4.39Å; K35-T46 HydrophobicContact CG-CG2 4.49Å; F36-T46 CarbonylContact O-C 3.53Å; F36-T46 WeakPolarHBondContact O-CA 3.32Å; K37-T46 HydrophobicContact CG-CG2 4Å; T46-V48 HydrophobicContact CG2-CG2 4.16Å |
| 47 | L | 97.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134 | 164.8 | 175.9 | 68.8 | 0 | 0 | 0 | 108.5 | I7 I10 F13 K35 F36 I49 L58 | I7-L47 WeakPolarHBondContact O-CD1 3.37Å; I10-L47 HydrophobicContact CG1-CD2 4.13Å; F13-L47 HydrophobicContact CB-CB 4.22Å; F13-L47 HydrophobicContact CB-CD2 3.73Å; F13-L47 HydrophobicContact CB-CG 4.48Å; F13-L47 HydrophobicContact CD1-CD2 4.04Å; F13-L47 HydrophobicContact CD2-CB 3.74Å; F13-L47 HydrophobicContact CD2-CD2 4.3Å; F13-L47 HydrophobicContact CE2-CB 4.41Å; F13-L47 HydrophobicContact CG-CB 4.02Å; F13-L47 HydrophobicContact CG-CD2 3.74Å; K35-L47 CarbonylContact C-O 3.55Å; K35-L47 WeakPolarHBondContact CA-O 3.47Å; F36-L47 HydrophobicContact CB-CB 4.36Å; F36-L47 PolarHBondContact N-O 2.79Å; F36-L47 PolarHBondContact O-N 3.13Å; L47-I49 HydrophobicContact CD2-CD1 3.99Å; L47-I49 HydrophobicContact CD2-CG1 4.17Å; L47-I49 HydrophobicContact CG-CD1 4.47Å; L47-I49 HydrophobicContact CG-CG1 4.1Å; L47-L58 HydrophobicContact CD2-CD2 3.62Å |
| 48 | V | 96.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 35% | 0.345 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.5 | 178 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | N33 K35 T46 | N33-V48 HydrophobicContact CB-CG1 3.84Å; K35-V48 HydrophobicContact CD-CG2 4.34Å; K35-V48 HydrophobicContact CG-CG1 4.3Å; K35-V48 HydrophobicContact CG-CG2 4.1Å; T46-V48 HydrophobicContact CG2-CG2 4.16Å |
| 49 | I | 96.2 | Very high | 93.9 | Very high | 14 Ų | 14 | 63.5 Ų | 63.5 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.8 | 176.9 | -57.7 | -175 | 0 | 0 | 0 | 108.3 | I10 N33 V34 F36 L47 D51 K54 A55 L58 | I10-I49 HydrophobicContact CD1-CD1 4.4Å; I10-I49 HydrophobicContact CG1-CD1 4.48Å; N33-I49 CarbonylContact C-O 3.59Å; N33-I49 VanDerWaalsContact CA-O 3.29Å; N33-I49 WeakPolarHBondContact CA-O 3.49Å; N33-I49 WeakPolarHBondContact CB-O 3.23Å; V34-I49 PolarHBondContact N-O 3.18Å; V34-I49 PolarHBondContact O-N 2.73Å; F36-I49 HydrophobicContact CD2-CD1 4.2Å; F36-I49 HydrophobicContact CD2-CG1 4.44Å; F36-I49 HydrophobicContact CE2-CD1 3.95Å; F36-I49 HydrophobicContact CE2-CG1 4.42Å; L47-I49 HydrophobicContact CD2-CD1 3.99Å; L47-I49 HydrophobicContact CD2-CG1 4.17Å; L47-I49 HydrophobicContact CG-CD1 4.47Å; L47-I49 HydrophobicContact CG-CG1 4.1Å; I49-D51 HydrophobicContact CG2-CB 4.29Å; I49-D51 WeakPolarHBondContact CG2-O 3.48Å; I49-K54 HydrophobicContact CG2-CB 4.05Å; I49-A55 HydrophobicContact CB-CB 4.39Å; I49-A55 HydrophobicContact CG2-CB 4.16Å; I49-L58 HydrophobicContact CD1-CB 4.38Å; I49-L58 HydrophobicContact CD1-CD2 3.49Å; I49-L58 VanDerWaalsContact CD1-CD2 3.49Å |
| 50 | T | 96 | Very high | 93.6 | Very high | 108 Ų | 108 | 68.9 Ų | 68.9 | 66% | 0.663 | 33% | 0.329 | S | S | * | . | trans | -85.6 | -32.4 | 175.6 | 48.7 | 0 | 0 | 0 | 0 | 112.1 | N33 K52 | N33-T50 HydrophobicContact CB-CG2 4.29Å; T50-K52 PolarHBondContact O-N 3.25Å | ||
| 51 | D | 95.1 | Very high | 93.3 | Very high | 62 Ų | 62 | 72 Ų | 72 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | trans | -75.4 | 115.6 | 177.6 | -178.1 | -26.9 | 0 | 0 | 0 | 111.6 | I49 E53 K54 A55 | I49-D51 HydrophobicContact CG2-CB 4.29Å; I49-D51 WeakPolarHBondContact CG2-O 3.48Å; D51-E53 PolarHBondContact O-N 2.88Å; D51-E53 PolarHBondContact OD1-N 2.86Å; D51-K54 HydrophobicContact CB-CB 4.03Å; D51-K54 HydrophobicContact CB-CD 3.98Å; D51-K54 HydrophobicContact CB-CG 4.14Å; D51-K54 PolarHBondContact O-N 3.18Å; D51-K54 PolarHBondContact OD1-N 3.36Å; D51-K54 VanDerWaalsContact OD1-N 3.09Å; D51-K54 VanDerWaalsContact OD2-CD 3.32Å; D51-K54 WeakPolarHBondContact OD2-CD 3.5Å; D51-K54 VanDerWaalsContact OD2-CE 3.24Å; D51-K54 WeakPolarHBondContact OD2-CE 3.43Å; D51-K54 WeakPolarHBondContact OD2-CG 3.28Å; D51-K54 IonicContact OD2-NZ 2.74Å; D51-A55 WeakPolarHBondContact O-CB 3.27Å; D51-A55 PolarHBondContact O-N 2.99Å | ||
| 52 | K | 91.5 | Very high | 92.9 | Very high | 150 Ų | 150 | 69.7 Ų | 69.7 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -66.3 | -36.9 | -176.7 | -65.8 | 179.5 | -178 | 174.4 | 0 | 112.6 | T50 A55 E56 | T50-K52 PolarHBondContact O-N 3.25Å; K52-A55 PolarHBondContact O-N 3.06Å; K52-E56 PolarHBondContact O-N 3.45Å |
| 53 | E | 93.2 | Very high | 92.1 | Very high | 139 Ų | 139 | 62.7 Ų | 62.7 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.6 | -43.1 | 179.6 | -68.2 | -170.7 | 179.4 | 0 | 0 | 111 | D51 A55 E56 K57 | D51-E53 PolarHBondContact O-N 2.88Å; D51-E53 PolarHBondContact OD1-N 2.86Å; E53-A55 VanDerWaalsContact C-N 3.27Å; E53-A55 PolarHBondContact O-N 3.42Å; E53-E56 PolarHBondContact O-N 2.96Å; E53-K57 WeakPolarHBondContact O-CG 3.42Å; E53-K57 PolarHBondContact O-N 3.25Å |
| 54 | K | 93.4 | Very high | 90.9 | Very high | 119 Ų | 119 | 67.2 Ų | 67.2 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 173.9 | -72.4 | -179.8 | -170.8 | 171.5 | 0 | 111.5 | I49 D51 K57 L58 | I49-K54 HydrophobicContact CG2-CB 4.05Å; D51-K54 HydrophobicContact CB-CB 4.03Å; D51-K54 HydrophobicContact CB-CD 3.98Å; D51-K54 HydrophobicContact CB-CG 4.14Å; D51-K54 PolarHBondContact O-N 3.18Å; D51-K54 PolarHBondContact OD1-N 3.36Å; D51-K54 VanDerWaalsContact OD1-N 3.09Å; D51-K54 VanDerWaalsContact OD2-CD 3.32Å; D51-K54 WeakPolarHBondContact OD2-CD 3.5Å; D51-K54 VanDerWaalsContact OD2-CE 3.24Å; D51-K54 WeakPolarHBondContact OD2-CE 3.43Å; D51-K54 WeakPolarHBondContact OD2-CG 3.28Å; D51-K54 IonicContact OD2-NZ 2.74Å; K54-K57 PolarHBondContact O-N 3.25Å; K54-L58 WeakPolarHBondContact O-CB 3.33Å; K54-L58 PolarHBondContact O-N 3.36Å |
| 55 | A | 93.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V34 F36 I49 D51 K52 E53 L58 K59 | V34-A55 HydrophobicContact CB-CB 3.87Å; V34-A55 HydrophobicContact CG1-CB 4.33Å; V34-A55 HydrophobicContact CG2-CB 3.8Å; F36-A55 HydrophobicContact CE2-CB 4Å; F36-A55 HydrophobicContact CZ-CB 4.2Å; F36-A55 WeakPolarHBondContact CZ-O 3.35Å; I49-A55 HydrophobicContact CB-CB 4.39Å; I49-A55 HydrophobicContact CG2-CB 4.16Å; D51-A55 WeakPolarHBondContact O-CB 3.27Å; D51-A55 PolarHBondContact O-N 2.99Å; K52-A55 PolarHBondContact O-N 3.06Å; E53-A55 VanDerWaalsContact C-N 3.27Å; E53-A55 PolarHBondContact O-N 3.42Å; A55-L58 PolarHBondContact O-N 2.78Å; A55-K59 WeakPolarHBondContact O-CB 3.37Å; A55-K59 PolarHBondContact O-N 3.18Å |
| 56 | E | 92.3 | Very high | 87.7 | Confident | 71 Ų | 71 | 71.7 Ų | 71.7 | 33% | 0.332 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 177.7 | -69.9 | -61.3 | 151.3 | 0 | 0 | 112 | K29 K52 E53 L58 K59 Q60 | K29-E56 IonicContact NZ-OE1 3.93Å; K29-E56 PolarHBondContact NZ-OE1 3.36Å; K52-E56 PolarHBondContact O-N 3.45Å; E53-E56 PolarHBondContact O-N 2.96Å; E56-L58 VanDerWaalsContact C-N 3.35Å; E56-L58 PolarHBondContact O-N 2.87Å; E56-K59 WeakPolarHBondContact O-CB 3.42Å; E56-K59 PolarHBondContact O-N 3.23Å; E56-Q60 WeakPolarHBondContact O-CG 3.42Å; E56-Q60 PolarHBondContact O-N 3.41Å |
| 57 | K | 92.4 | Very high | 86.9 | Confident | 131 Ų | 131 | 71.8 Ų | 71.8 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.4 | -42.8 | 172.5 | -73.5 | 175.9 | -179.6 | 171.1 | 0 | 112.1 | E53 K54 K59 Q60 S61 | E53-K57 WeakPolarHBondContact O-CG 3.42Å; E53-K57 PolarHBondContact O-N 3.25Å; K54-K57 PolarHBondContact O-N 3.25Å; K57-K59 VanDerWaalsContact C-N 3.35Å; K57-Q60 PolarHBondContact O-N 2.83Å; K57-S61 PolarHBondContact O-N 3.05Å; K57-S61 PolarHBondContact O-OG 3.34Å |
| 58 | L | 92.1 | Very high | 86.3 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.042 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 176.6 | -179.9 | 59.4 | 0 | 0 | 0 | 111.4 | I10 F13 L14 F36 L47 I49 K54 A55 E56 Q60 S61 L62 | I10-L58 HydrophobicContact CG2-CD1 3.74Å; I10-L58 HydrophobicContact CG2-CD2 4.43Å; F13-L58 HydrophobicContact CD1-CD1 4.37Å; F13-L58 HydrophobicContact CD1-CD2 4.11Å; F13-L58 HydrophobicContact CE1-CD2 4.21Å; L14-L58 HydrophobicContact CD1-CD1 4.49Å; L14-L58 HydrophobicContact CD2-CD1 3.81Å; L14-L58 HydrophobicContact CG-CD1 4.17Å; F36-L58 HydrophobicContact CD1-CD2 4.27Å; F36-L58 HydrophobicContact CD2-CD2 3.98Å; F36-L58 HydrophobicContact CE1-CD2 4.3Å; F36-L58 HydrophobicContact CE1-CG 4.3Å; F36-L58 HydrophobicContact CE2-CD2 4.02Å; F36-L58 HydrophobicContact CG-CD2 4.13Å; F36-L58 HydrophobicContact CZ-CB 4.32Å; F36-L58 HydrophobicContact CZ-CD2 4.2Å; F36-L58 HydrophobicContact CZ-CG 4.36Å; L47-L58 HydrophobicContact CD2-CD2 3.62Å; I49-L58 HydrophobicContact CD1-CB 4.38Å; I49-L58 HydrophobicContact CD1-CD2 3.49Å; I49-L58 VanDerWaalsContact CD1-CD2 3.49Å; K54-L58 WeakPolarHBondContact O-CB 3.33Å; K54-L58 PolarHBondContact O-N 3.36Å; A55-L58 PolarHBondContact O-N 2.78Å; E56-L58 VanDerWaalsContact C-N 3.35Å; E56-L58 PolarHBondContact O-N 2.87Å; L58-Q60 VanDerWaalsContact C-N 3.3Å; L58-Q60 PolarHBondContact O-N 3.4Å; L58-S61 PolarHBondContact O-N 3.46Å; L58-L62 PolarHBondContact O-N 3.03Å |
| 59 | K | 90.1 | Very high | 85.9 | Confident | 59 Ų | 59 | 75.2 Ų | 75.2 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.9 | -43.4 | 176 | -179.4 | -175.7 | 176.1 | -174.4 | 0 | 111.5 | I27 F36 A55 E56 K57 S61 L62 E71 | I27-K59 HydrophobicContact CD1-CD 4.34Å; I27-K59 HydrophobicContact CD1-CG 3.92Å; F36-K59 HydrophobicContact CE1-CB 4.27Å; F36-K59 HydrophobicContact CZ-CB 4.47Å; A55-K59 WeakPolarHBondContact O-CB 3.37Å; A55-K59 PolarHBondContact O-N 3.18Å; E56-K59 WeakPolarHBondContact O-CB 3.42Å; E56-K59 PolarHBondContact O-N 3.23Å; K57-K59 VanDerWaalsContact C-N 3.35Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 2.87Å; K59-L62 WeakPolarHBondContact O-CB 3.2Å; K59-L62 PolarHBondContact O-N 3.13Å; K59-E71 WeakPolarHBondContact CE-OE1 3.37Å; K59-E71 IonicContact NZ-OE1 2.82Å; K59-E71 PolarHBondContact NZ-OE1 3.13Å; K59-E71 IonicContact NZ-OE2 3.73Å; K59-E71 PolarHBondContact NZ-OE2 3.12Å |
| 60 | Q | 88.1 | Confident | 85.6 | Confident | 159 Ų | 159 | 80.9 Ų | 80.9 | 74% | 0.743 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.9 | -29.2 | 175.4 | -68.2 | 172.9 | 1.5 | 0 | 0 | 112.9 | E56 K57 L58 L62 | E56-Q60 WeakPolarHBondContact O-CG 3.42Å; E56-Q60 PolarHBondContact O-N 3.41Å; K57-Q60 PolarHBondContact O-N 2.83Å; L58-Q60 VanDerWaalsContact C-N 3.3Å; L58-Q60 PolarHBondContact O-N 3.4Å; Q60-L62 VanDerWaalsContact C-N 3.33Å |
| 61 | S | 85.9 | Confident | 85.1 | Confident | 67 Ų | 67 | 80.6 Ų | 80.6 | 47% | 0.469 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -82.7 | -7 | -179.8 | -55 | 0 | 0 | 0 | 0 | 113.9 | K57 L58 K59 | K57-S61 PolarHBondContact O-N 3.05Å; K57-S61 PolarHBondContact O-OG 3.34Å; L58-S61 PolarHBondContact O-N 3.46Å; K59-S61 VanDerWaalsContact C-N 3.29Å; K59-S61 PolarHBondContact O-N 2.87Å |
| 62 | L | 85 | Confident | 84.8 | Confident | 17 Ų | 17 | 80.2 Ų | 80.2 | 9% | 0.089 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -66 | 134.1 | 178.4 | -75.6 | 174.7 | 0 | 0 | 0 | 110 | F13 V25 I27 F36 L58 K59 Q60 V69 | F13-L62 HydrophobicContact CE1-CD2 3.73Å; F13-L62 HydrophobicContact CZ-CD2 4.25Å; V25-L62 HydrophobicContact CG1-CD1 4.15Å; I27-L62 HydrophobicContact CD1-CD1 3.96Å; F36-L62 HydrophobicContact CD1-CD1 4.36Å; F36-L62 HydrophobicContact CE1-CD1 4.37Å; L58-L62 PolarHBondContact O-N 3.03Å; K59-L62 WeakPolarHBondContact O-CB 3.2Å; K59-L62 PolarHBondContact O-N 3.13Å; Q60-L62 VanDerWaalsContact C-N 3.33Å; L62-V69 HydrophobicContact CD1-CG1 4.48Å |
| 63 | P | 72.3 | Confident | 83.9 | Confident | 17 Ų | 17 | 84.9 Ų | 84.9 | 11% | 0.11 | 46% | 0.462 | C | S | . | . | trans | -65 | 131.8 | -179.2 | 24.9 | -31.6 | 0 | 0 | 0 | 110.6 | R18 A65 | R18-P63 HydrophobicContact CG-CG 4.39Å; P63-A65 PolarHBondContact O-N 3.25Å | ||
| 64 | P | 68.6 | Low | 83.5 | Confident | 132 Ų | 132 | 82.2 Ų | 82.2 | 86% | 0.857 | 45% | 0.453 | S | S | * | . | trans | -75.5 | -14.2 | 175.3 | 29.6 | -34 | 0 | 0 | 0 | 112.7 | G66 | P64-G66 PolarHBondContact O-N 3.47Š| ||
| 65 | A | 58.8 | Low | 83 | Confident | 85 Ų | 85 | 80.2 Ų | 80.2 | 70% | 0.702 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -80.4 | 106.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P63 L67 | P63-A65 PolarHBondContact O-N 3.25Å; A65-L67 VanDerWaalsContact C-N 3.26Å; A65-L67 PolarHBondContact O-N 3.24Å; A65-L67 VanDerWaalsContact O-N 3.12Å |
| 66 | G | 66.5 | Low | 82.4 | Confident | 86 Ų | 86 | 84.6 Ų | 84.6 | 89% | 0.887 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 76.9 | -6.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117 | P64 | P64-G66 PolarHBondContact O-N 3.47Š|
| 67 | L | 79 | Confident | 81.8 | Confident | 22 Ų | 22 | 85.4 Ų | 85.4 | 12% | 0.115 | 48% | 0.482 | C | S | . | . | trans | -104.8 | 117.4 | -177.9 | -148 | 77.7 | 0 | 0 | 0 | 110.7 | A17 A22 V25 A65 V69 | A17-L67 HydrophobicContact CB-CD2 4.32Å; A22-L67 HydrophobicContact CB-CD1 3.66Å; A22-L67 WeakPolarHBondContact O-CD1 3.37Å; V25-L67 HydrophobicContact CB-CD2 4.35Å; V25-L67 HydrophobicContact CG2-CD2 3.4Å; V25-L67 HydrophobicContact CG2-CG 4.44Å; A65-L67 VanDerWaalsContact C-N 3.26Å; A65-L67 PolarHBondContact O-N 3.24Å; A65-L67 VanDerWaalsContact O-N 3.12Å; L67-V69 PolarHBondContact O-N 3.4Å; L67-V69 VanDerWaalsContact O-N 3.13Å | ||
| 68 | A | 85.9 | Confident | 81.1 | Confident | 63 Ų | 63 | 82.6 Ų | 82.6 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 113.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S24 V25 | S24-A68 CarbonylContact C-O 3.56Å; S24-A68 VanDerWaalsContact CA-O 3.28Å; S24-A68 WeakPolarHBondContact CA-O 3.17Å; S24-A68 WeakPolarHBondContact CB-O 3.39Å; V25-A68 PolarHBondContact N-O 3.2Å |
| 69 | V | 87.8 | Confident | 80.4 | Confident | 69 Ų | 69 | 87.5 Ų | 87.5 | 42% | 0.418 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.7 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | V25 I27 L62 L67 | V25-V69 CarbonylContact O-C 3.59Å; V25-V69 WeakPolarHBondContact O-CA 3.21Å; I27-V69 HydrophobicContact CD1-CG1 3.83Å; I27-V69 HydrophobicContact CG1-CG1 4.32Å; L62-V69 HydrophobicContact CD1-CG1 4.48Å; L67-V69 PolarHBondContact O-N 3.4Å; L67-V69 VanDerWaalsContact O-N 3.13Å |
| 70 | K | 88.9 | Confident | 79.7 | Confident | 133 Ų | 133 | 89.6 Ų | 89.6 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.3 | 177 | -171.5 | 171.1 | -175.5 | 170.7 | 0 | 110.9 | V25 K26 I27 L72 | V25-K70 PolarHBondContact O-N 2.97Å; K26-K70 CarbonylContact C-O 3.6Å; K26-K70 VanDerWaalsContact CA-O 3.3Å; K26-K70 WeakPolarHBondContact CA-O 3.46Å; I27-K70 PolarHBondContact N-O 3.33Å; K70-L72 HydrophobicContact CD-CD2 4.45Å; K70-L72 HydrophobicContact CG-CD2 4.44Å |
| 71 | E | 87.3 | Confident | 79 | Confident | 102 Ų | 102 | 84.2 Ų | 84.2 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 128.5 | 169.7 | -66.8 | -172.9 | -137.5 | 0 | 0 | 109.9 | I27 K59 | I27-E71 HydrophobicContact CB-CG 4.48Å; K59-E71 WeakPolarHBondContact CE-OE1 3.37Å; K59-E71 IonicContact NZ-OE1 2.82Å; K59-E71 PolarHBondContact NZ-OE1 3.13Å; K59-E71 IonicContact NZ-OE2 3.73Å; K59-E71 PolarHBondContact NZ-OE2 3.12Å |
| 72 | L | 87.3 | Confident | 78.5 | Confident | 55 Ų | 55 | 85.7 Ų | 85.7 | 29% | 0.288 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.1 | 173.3 | -59.6 | 178.1 | 0 | 0 | 0 | 107.7 | K26 I27 K28 K70 | K26-L72 HydrophobicContact CB-CD1 4.04Å; K26-L72 HydrophobicContact CB-CG 4.36Å; K26-L72 HydrophobicContact CD-CD1 4.16Å; I27-L72 PolarHBondContact O-N 3.45Å; K28-L72 HydrophobicContact CB-CB 4.4Å; K28-L72 HydrophobicContact CB-CD1 4.44Å; K28-L72 HydrophobicContact CD-CB 3.69Å; K28-L72 HydrophobicContact CD-CD1 4.47Å; K70-L72 HydrophobicContact CD-CD2 4.45Å; K70-L72 HydrophobicContact CG-CD2 4.44Å |
| 73 | K | 74.1 | Confident | 77.9 | Confident | 247 Ų | 247 | 91.9 Ų | 91.9 | 100% | 1.074 | 55% | 0.548 | S | S | * | . | trans | -60.6 | 0 | 167.8 | -70.2 | -177.1 | 177.1 | -179.1 | 0 | 110 | K28 | K28-K73 VanDerWaalsContact CE-O 3.31Å; K28-K73 WeakPolarHBondContact CE-O 3.49Å; K28-K73 PolarHBondContact NZ-O 2.65Å; K28-K73 PolarHBondContact NZ-OXT 3.28Å |
Retrieved 73 of 73 residues in 64.5 ms
(Link to these results)