| 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 | 39.3 | Very low | 64.7 | Low | 212 Ų | 212 | 84.4 Ų | 84.4 | 100% | 1.044 | 44% | 0.436 | S | S | * | . | 0 | 100.1 | 0 | -172.6 | 126.3 | 119.8 | 0 | 0 | 105.2 | |||||
| 2 | E | 41.3 | Very low | 65.4 | Low | 162 Ų | 162 | 77.3 Ų | 77.3 | 76% | 0.757 | 40% | 0.4 | S | S | * | . | trans | -65.4 | 145.8 | -176.7 | -80 | 168 | 75.9 | 0 | 0 | 110.6 | R4 | E2-R4 PolarHBondContact O-N 3.18Š| ||
| 3 | P | 54.2 | Low | 66.1 | Low | 71 Ų | 71 | 79.6 Ų | 79.6 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | trans | -62.8 | 99.9 | -179 | 24.3 | -30.9 | 0 | 0 | 0 | 108.8 | M5 E6 S7 | P3-M5 PolarHBondContact O-N 3.36Å; P3-E6 HydrophobicContact CB-CB 4.3Å; P3-E6 HydrophobicContact CB-CG 4.19Å; P3-E6 WeakPolarHBondContact CB-OE2 3.46Å; P3-E6 HydrophobicContact CG-CB 4.16Å; P3-E6 HydrophobicContact CG-CG 4.26Å; P3-E6 WeakPolarHBondContact CG-OE2 3.42Å; P3-E6 PolarHBondContact O-N 3.41Å; P3-S7 PolarHBondContact O-N 3.04Å | ||
| 4 | R | 67.6 | Low | 66.4 | Low | 128 Ų | 128 | 78 Ų | 78 | 48% | 0.483 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -53.9 | -31.4 | -175.6 | -62.8 | -173.3 | -172.7 | 174.4 | 2 | 111.5 | E2 C8 Y30 | E2-R4 PolarHBondContact O-N 3.18Å; R4-C8 PolarHBondContact O-N 3.36Å; R4-C8 PolarHBondContact O-SG 2.95Å; R4-Y30 HydrophobicContact CB-CE2 4.28Å |
| 5 | M | 65.4 | Low | 66.6 | Low | 13 Ų | 13 | 85.5 Ų | 85.5 | 6% | 0.064 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -80.2 | -37.4 | -173.5 | -152.8 | 169.8 | 168.5 | 0 | 0 | 113.5 | P3 S7 C8 L9 L40 D43 L46 L47 L50 | P3-M5 PolarHBondContact O-N 3.36Å; M5-S7 VanDerWaalsContact C-N 3.31Å; M5-C8 WeakPolarHBondContact O-CB 3.37Å; M5-C8 PolarHBondContact O-N 3.07Å; M5-L9 PolarHBondContact O-N 3.04Å; M5-L40 HydrophobicContact CE-CD2 3.26Å; M5-L40 HydrophobicContact CG-CD2 4.29Å; M5-L40 HydrophobicContact SD-CD2 3.52Å; M5-L40 VanDerWaalsContact SD-CD2 3.52Å; M5-D43 HydrophobicContact CE-CB 4.41Å; M5-D43 HydrophobicContact SD-CB 4.3Å; M5-L46 HydrophobicContact CB-CD2 3.59Å; M5-L46 HydrophobicContact CE-CB 3.76Å; M5-L46 HydrophobicContact CE-CD2 4.1Å; M5-L46 HydrophobicContact CE-CG 3.91Å; M5-L46 HydrophobicContact CG-CD2 3.41Å; M5-L46 VanDerWaalsContact CG-CD2 3.41Å; M5-L46 HydrophobicContact CG-CG 3.9Å; M5-L46 HydrophobicContact SD-CB 4.34Å; M5-L46 HydrophobicContact SD-CD2 3.63Å; M5-L46 HydrophobicContact SD-CG 4.13Å; M5-L47 HydrophobicContact CE-CB 3.86Å; M5-L47 HydrophobicContact CE-CD1 4.32Å; M5-L47 HydrophobicContact CE-CG 4.28Å; M5-L50 HydrophobicContact CE-CD1 4.11Å; M5-L50 HydrophobicContact CG-CD1 3.93Å |
| 6 | E | 71.1 | Confident | 67.3 | Low | 124 Ų | 124 | 86.5 Ų | 86.5 | 58% | 0.579 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.3 | -37.9 | 170.6 | -67.5 | -172.3 | 84.9 | 0 | 0 | 111 | P3 C8 L9 A10 L46 | P3-E6 HydrophobicContact CB-CB 4.3Å; P3-E6 HydrophobicContact CB-CG 4.19Å; P3-E6 WeakPolarHBondContact CB-OE2 3.46Å; P3-E6 HydrophobicContact CG-CB 4.16Å; P3-E6 HydrophobicContact CG-CG 4.26Å; P3-E6 WeakPolarHBondContact CG-OE2 3.42Å; P3-E6 PolarHBondContact O-N 3.41Å; E6-C8 VanDerWaalsContact C-N 3.33Å; E6-L9 PolarHBondContact O-N 3.23Å; E6-A10 WeakPolarHBondContact O-CB 3.49Å; E6-A10 PolarHBondContact O-N 3.14Å; E6-L46 HydrophobicContact CG-CD2 4.49Å |
| 7 | S | 71.4 | Confident | 67.3 | Low | 60 Ų | 60 | 85 Ų | 85 | 42% | 0.42 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 172.6 | -130 | 0 | 0 | 0 | 0 | 111.8 | P3 M5 Q11 | P3-S7 PolarHBondContact O-N 3.04Å; M5-S7 VanDerWaalsContact C-N 3.31Å; S7-Q11 WeakPolarHBondContact O-CB 3.37Å; S7-Q11 WeakPolarHBondContact O-CG 3.21Å; S7-Q11 PolarHBondContact O-N 3.41Å; S7-Q11 VanDerWaalsContact O-N 3.11Å; S7-Q11 PolarHBondContact O-NE2 3.29Å |
| 8 | C | 72.2 | Confident | 67.5 | Low | 15 Ų | 15 | 83.3 Ų | 83.3 | 10% | 0.101 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 171.3 | -74.5 | 0 | 0 | 0 | 0 | 111.7 | R4 M5 E6 Q11 V12 L27 L50 | R4-C8 PolarHBondContact O-N 3.36Å; R4-C8 PolarHBondContact O-SG 2.95Å; M5-C8 WeakPolarHBondContact O-CB 3.37Å; M5-C8 PolarHBondContact O-N 3.07Å; E6-C8 VanDerWaalsContact C-N 3.33Å; C8-Q11 WeakPolarHBondContact O-CB 3.36Å; C8-Q11 PolarHBondContact O-N 3.15Å; C8-Q11 VanDerWaalsContact O-N 3.11Å; C8-V12 WeakPolarHBondContact O-CG2 3.49Å; C8-V12 PolarHBondContact O-N 3.03Å; C8-L27 HydrophobicContact CB-CD2 3.46Å; C8-L27 VanDerWaalsContact CB-CD2 3.46Å; C8-L27 WeakPolarHBondContact SG-CD2 3.5Å; C8-L50 HydrophobicContact CB-CD1 4.45Å; C8-L50 HydrophobicContact CB-CD2 4.14Å |
| 9 | L | 75.1 | Confident | 67.8 | Low | 32 Ų | 32 | 85.2 Ų | 85.2 | 17% | 0.168 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65.2 | -43.6 | -179.3 | -178.7 | 67.3 | 0 | 0 | 0 | 111.4 | M5 E6 Q11 V12 L13 L46 K49 L50 | M5-L9 PolarHBondContact O-N 3.04Å; E6-L9 PolarHBondContact O-N 3.23Å; L9-Q11 PolarHBondContact O-N 3.25Å; L9-V12 PolarHBondContact O-N 2.96Å; L9-L13 HydrophobicContact CD1-CD1 3.98Å; L9-L13 HydrophobicContact CD1-CG 4.41Å; L9-L13 HydrophobicContact CD2-CD1 4.36Å; L9-L13 HydrophobicContact CG-CD1 3.74Å; L9-L13 WeakPolarHBondContact O-CB 3.07Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.32Å; L9-L46 HydrophobicContact CD2-CD1 3.78Å; L9-K49 HydrophobicContact CD1-CB 4.15Å; L9-L50 VanDerWaalsContact CA-CD2 3.42Å; L9-L50 HydrophobicContact CB-CD2 3.93Å; L9-L50 HydrophobicContact CB-CG 4.16Å; L9-L50 HydrophobicContact CD1-CD2 4.01Å; L9-L50 HydrophobicContact CD1-CG 3.95Å |
| 10 | A | 78.4 | Confident | 67.9 | Low | 57 Ų | 57 | 81.8 Ų | 81.8 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.4 | -35 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E6 Q14 | E6-A10 WeakPolarHBondContact O-CB 3.49Å; E6-A10 PolarHBondContact O-N 3.14Å; A10-Q14 WeakPolarHBondContact O-CG 3.34Å; A10-Q14 PolarHBondContact O-N 3.41Å |
| 11 | Q | 75.2 | Confident | 68.1 | Low | 54 Ų | 54 | 80.3 Ų | 80.3 | 25% | 0.252 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -73.5 | -38.7 | 176.5 | -72.4 | 179.7 | 100.2 | 0 | 0 | 113.2 | S7 C8 L9 L13 Q14 V23 | S7-Q11 WeakPolarHBondContact O-CB 3.37Å; S7-Q11 WeakPolarHBondContact O-CG 3.21Å; S7-Q11 PolarHBondContact O-N 3.41Å; S7-Q11 VanDerWaalsContact O-N 3.11Å; S7-Q11 PolarHBondContact O-NE2 3.29Å; C8-Q11 WeakPolarHBondContact O-CB 3.36Å; C8-Q11 PolarHBondContact O-N 3.15Å; C8-Q11 VanDerWaalsContact O-N 3.11Å; L9-Q11 PolarHBondContact O-N 3.25Å; Q11-L13 VanDerWaalsContact C-N 3.34Å; Q11-Q14 WeakPolarHBondContact O-CB 3.24Å; Q11-Q14 PolarHBondContact O-N 3.26Å; Q11-V23 HydrophobicContact CB-CB 4.17Å; Q11-V23 HydrophobicContact CB-CG1 3.74Å; Q11-V23 HydrophobicContact CB-CG2 4Å; Q11-V23 HydrophobicContact CG-CG1 4.06Å; Q11-V23 HydrophobicContact CG-CG2 4.29Å |
| 12 | V | 74.2 | Confident | 69.8 | Low | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.4 | -39 | 173.4 | 170.5 | 0 | 0 | 0 | 0 | 112 | C8 L9 Q14 L27 L50 L54 W58 | C8-V12 WeakPolarHBondContact O-CG2 3.49Å; C8-V12 PolarHBondContact O-N 3.03Å; L9-V12 PolarHBondContact O-N 2.96Å; V12-Q14 VanDerWaalsContact C-N 3.26Å; V12-Q14 PolarHBondContact O-N 2.87Å; V12-L27 HydrophobicContact CG2-CD1 3.3Å; V12-L50 HydrophobicContact CB-CD2 4.14Å; V12-L50 HydrophobicContact CG2-CD2 3.59Å; V12-L54 HydrophobicContact CG1-CB 4.49Å; V12-L54 HydrophobicContact CG1-CD2 4Å; V12-L54 HydrophobicContact CG1-CG 3.83Å; V12-L54 HydrophobicContact CG2-CD2 3.76Å; V12-L54 HydrophobicContact CG2-CG 3.93Å; V12-W58 HydrophobicContact CB-CZ2 4.48Å; V12-W58 HydrophobicContact CG2-CZ2 4.13Å; V12-W58 PolarHBondContact O-NE1 3.3Å |
| 13 | L | 73.8 | Confident | 71.4 | Confident | 107 Ų | 107 | 70.2 Ų | 70.2 | 56% | 0.56 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.5 | 179.2 | -74.8 | 162.3 | 0 | 0 | 0 | 113.9 | L9 Q11 | L9-L13 HydrophobicContact CD1-CD1 3.98Å; L9-L13 HydrophobicContact CD1-CG 4.41Å; L9-L13 HydrophobicContact CD2-CD1 4.36Å; L9-L13 HydrophobicContact CG-CD1 3.74Å; L9-L13 WeakPolarHBondContact O-CB 3.07Å; L9-L13 WeakPolarHBondContact O-CG 3.38Å; L9-L13 PolarHBondContact O-N 3.32Å; Q11-L13 VanDerWaalsContact C-N 3.34Å |
| 14 | Q | 71 | Confident | 72.4 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | trans | -58.1 | 150 | 177.3 | -78.1 | -166.3 | 26.7 | 0 | 0 | 111.1 | A10 Q11 V12 R20 | A10-Q14 WeakPolarHBondContact O-CG 3.34Å; A10-Q14 PolarHBondContact O-N 3.41Å; Q11-Q14 WeakPolarHBondContact O-CB 3.24Å; Q11-Q14 PolarHBondContact O-N 3.26Å; V12-Q14 VanDerWaalsContact C-N 3.26Å; V12-Q14 PolarHBondContact O-N 2.87Å; Q14-R20 HydrophobicContact CB-CG 4.18Å; Q14-R20 WeakPolarHBondContact O-CD 3.35Å; Q14-R20 PolarHBondContact O-NE 3.21Å; Q14-R20 PolarHBondContact O-NH2 3.27Å; Q14-R20 VanDerWaalsContact O-NH2 3.14Å | ||
| 15 | K | 68.9 | Low | 72.5 | Confident | 190 Ų | 190 | 64.4 Ų | 64.4 | 83% | 0.826 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -84.3 | -21.7 | 175.2 | -78.4 | -175 | 165.2 | -177 | 0 | 112.9 | V17 R20 | K15-V17 PolarHBondContact O-N 2.99Å; K15-R20 PolarHBondContact O-NH2 2.99Å |
| 16 | D | 77.6 | Confident | 73 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | trans | -76.6 | 113.9 | 179.1 | -70.5 | -87.5 | 0 | 0 | 0 | 112.2 | K19 R20 | D16-K19 HydrophobicContact CB-CB 4.18Å; D16-K19 HydrophobicContact CB-CG 4.46Å; D16-R20 WeakPolarHBondContact O-CB 3.43Å; D16-R20 VanDerWaalsContact O-CG 3.31Å; D16-R20 WeakPolarHBondContact O-CG 2.93Å; D16-R20 PolarHBondContact O-N 3.12Å; D16-R20 PolarHBondContact O-NE 3.48Å | ||
| 17 | V | 67.2 | Low | 73.1 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 179.5 | 172 | 0 | 0 | 0 | 0 | 111.7 | K15 K19 R20 L21 N63 | K15-V17 PolarHBondContact O-N 2.99Å; V17-K19 PolarHBondContact O-N 3.14Å; V17-R20 PolarHBondContact O-N 3.36Å; V17-L21 PolarHBondContact O-N 2.94Å; V17-N63 HydrophobicContact CG1-CB 4.5Å |
| 18 | G | 70.8 | Confident | 73.3 | Confident | 54 Ų | 54 | 66.2 Ų | 66.2 | 56% | 0.557 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.4 | -40.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q22 | G18-Q22 PolarHBondContact O-N 3.38Å |
| 19 | K | 73.5 | Confident | 73.5 | Confident | 120 Ų | 120 | 70.7 Ų | 70.7 | 52% | 0.522 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.2 | -48 | 172.8 | -78.4 | -175.7 | 177 | 176.7 | 0 | 110.7 | D16 V17 L21 Q22 V23 | D16-K19 HydrophobicContact CB-CB 4.18Å; D16-K19 HydrophobicContact CB-CG 4.46Å; V17-K19 PolarHBondContact O-N 3.14Å; K19-L21 PolarHBondContact O-N 2.87Å; K19-Q22 WeakPolarHBondContact O-CB 3.3Å; K19-Q22 PolarHBondContact O-N 2.8Å; K19-Q22 VanDerWaalsContact O-N 3.08Å; K19-V23 WeakPolarHBondContact O-CG2 3.47Å; K19-V23 PolarHBondContact O-N 3.48Å |
| 20 | R | 70.8 | Confident | 73.4 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 6% | 0.06 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -52.3 | -41.3 | 175.9 | -79.2 | -173.6 | -92.2 | -176.7 | -18.6 | 112.7 | Q14 K15 D16 V17 V23 G24 S57 W58 | Q14-R20 HydrophobicContact CB-CG 4.18Å; Q14-R20 WeakPolarHBondContact O-CD 3.35Å; Q14-R20 PolarHBondContact O-NE 3.21Å; Q14-R20 PolarHBondContact O-NH2 3.27Å; Q14-R20 VanDerWaalsContact O-NH2 3.14Å; K15-R20 PolarHBondContact O-NH2 2.99Å; D16-R20 WeakPolarHBondContact O-CB 3.43Å; D16-R20 VanDerWaalsContact O-CG 3.31Å; D16-R20 WeakPolarHBondContact O-CG 2.93Å; D16-R20 PolarHBondContact O-N 3.12Å; D16-R20 PolarHBondContact O-NE 3.48Å; V17-R20 PolarHBondContact O-N 3.36Å; R20-V23 PolarHBondContact O-N 3.25Å; R20-G24 PolarHBondContact O-N 2.66Å; R20-S57 PolarHBondContact NH1-O 2.85Å; R20-S57 PolarHBondContact NH1-OG 2.88Å; R20-W58 HydrophobicContact CB-CD2 4.35Å; R20-W58 HydrophobicContact CB-CH2 4.37Å; R20-W58 HydrophobicContact CB-CZ2 3.69Å; R20-W58 HydrophobicContact CG-CZ2 3.88Å; R20-W58 WeakPolarHBondContact O-CH2 3.11Å; R20-W58 WeakPolarHBondContact O-CZ2 3.4Å; R20-W58 WeakPolarHBondContact O-CZ3 3.42Å |
| 21 | L | 71.8 | Confident | 73 | Confident | 52 Ų | 52 | 70.4 Ų | 70.4 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 176.8 | -156.2 | 86.7 | 0 | 0 | 0 | 112.1 | V17 K19 G24 Q25 Y64 E67 | V17-L21 PolarHBondContact O-N 2.94Å; K19-L21 PolarHBondContact O-N 2.87Å; L21-G24 PolarHBondContact O-N 2.78Å; L21-Q25 PolarHBondContact O-N 3.31Å; L21-Y64 HydrophobicContact CD1-CD2 3.53Å; L21-Y64 HydrophobicContact CD1-CE2 3.39Å; L21-Y64 HydrophobicContact CD1-CG 4.45Å; L21-Y64 HydrophobicContact CG-CE2 4.23Å; L21-E67 HydrophobicContact CD1-CB 4.37Å; L21-E67 HydrophobicContact CD1-CG 4Å; L21-E67 HydrophobicContact CD2-CG 4.11Å; L21-E67 WeakPolarHBondContact CD2-OE2 3.48Å; L21-E67 HydrophobicContact CG-CG 4.44Å |
| 22 | Q | 73.7 | Confident | 72.7 | Confident | 152 Ų | 152 | 72.4 Ų | 72.4 | 71% | 0.71 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.5 | -47.7 | 175.5 | -74.9 | -169.1 | -23.5 | 0 | 0 | 111.9 | G18 K19 G24 Q25 | G18-Q22 PolarHBondContact O-N 3.38Å; K19-Q22 WeakPolarHBondContact O-CB 3.3Å; K19-Q22 PolarHBondContact O-N 2.8Å; K19-Q22 VanDerWaalsContact O-N 3.08Å; Q22-G24 PolarHBondContact O-N 2.81Å; Q22-Q25 PolarHBondContact O-N 3.41Å |
| 23 | V | 75.1 | Confident | 72.6 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 6% | 0.055 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.2 | -24.3 | -179.7 | -145.9 | 0 | 0 | 0 | 0 | 111.7 | Q11 K19 R20 Q25 E26 L27 | Q11-V23 HydrophobicContact CB-CB 4.17Å; Q11-V23 HydrophobicContact CB-CG1 3.74Å; Q11-V23 HydrophobicContact CB-CG2 4Å; Q11-V23 HydrophobicContact CG-CG1 4.06Å; Q11-V23 HydrophobicContact CG-CG2 4.29Å; K19-V23 WeakPolarHBondContact O-CG2 3.47Å; K19-V23 PolarHBondContact O-N 3.48Å; R20-V23 PolarHBondContact O-N 3.25Å; V23-Q25 VanDerWaalsContact C-N 3.29Å; V23-Q25 PolarHBondContact O-N 2.9Å; V23-E26 HydrophobicContact CG1-CB 4.49Å; V23-E26 PolarHBondContact O-N 2.81Å; V23-L27 HydrophobicContact CG1-CG 4.37Å; V23-L27 WeakPolarHBondContact O-CB 3.31Å; V23-L27 WeakPolarHBondContact O-CG 3.38Å; V23-L27 PolarHBondContact O-N 3.46Å |
| 24 | G | 75.1 | Confident | 71.8 | Confident | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R20 L21 Q22 L27 I28 | R20-G24 PolarHBondContact O-N 2.66Å; L21-G24 PolarHBondContact O-N 2.78Å; Q22-G24 PolarHBondContact O-N 2.81Å; G24-L27 PolarHBondContact O-N 3.29Å; G24-I28 WeakPolarHBondContact O-CB 3.37Å; G24-I28 WeakPolarHBondContact O-CD1 3.46Å; G24-I28 WeakPolarHBondContact O-CG1 3.46Å; G24-I28 PolarHBondContact O-N 3.22Å |
| 25 | Q | 69.4 | Low | 71.4 | Confident | 77 Ų | 77 | 86.5 Ų | 86.5 | 36% | 0.36 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -47.5 | 175.2 | -152.2 | 95.1 | 56.2 | 0 | 0 | 111.2 | L21 Q22 V23 L27 I28 D29 Y71 | L21-Q25 PolarHBondContact O-N 3.31Å; Q22-Q25 PolarHBondContact O-N 3.41Å; V23-Q25 VanDerWaalsContact C-N 3.29Å; V23-Q25 PolarHBondContact O-N 2.9Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 2.86Å; Q25-I28 PolarHBondContact O-N 3.33Å; Q25-D29 WeakPolarHBondContact O-CB 3.46Å; Q25-D29 PolarHBondContact O-N 3.02Å; Q25-Y71 VanDerWaalsContact NE2-CZ 3.27Å; Q25-Y71 PolarHBondContact NE2-OH 2.76Å |
| 26 | E | 75.9 | Confident | 70.9 | Confident | 136 Ų | 136 | 80.1 Ų | 80.1 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.7 | -38.1 | 177.1 | -78.9 | -159 | 86.7 | 0 | 0 | 112.3 | V23 Y30 | V23-E26 HydrophobicContact CG1-CB 4.49Å; V23-E26 PolarHBondContact O-N 2.81Å; E26-Y30 WeakPolarHBondContact O-CB 3.4Å; E26-Y30 PolarHBondContact O-N 2.95Å |
| 27 | L | 74.4 | Confident | 69.6 | Low | 4 Ų | 4 | 76.8 Ų | 76.8 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 176.6 | -71.5 | 168 | 0 | 0 | 0 | 111.1 | C8 V12 V23 G24 Q25 Y30 F31 L54 W58 | C8-L27 HydrophobicContact CB-CD2 3.46Å; C8-L27 VanDerWaalsContact CB-CD2 3.46Å; C8-L27 WeakPolarHBondContact SG-CD2 3.5Å; V12-L27 HydrophobicContact CG2-CD1 3.3Å; V23-L27 HydrophobicContact CG1-CG 4.37Å; V23-L27 WeakPolarHBondContact O-CB 3.31Å; V23-L27 WeakPolarHBondContact O-CG 3.38Å; V23-L27 PolarHBondContact O-N 3.46Å; G24-L27 PolarHBondContact O-N 3.29Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 2.86Å; L27-Y30 WeakPolarHBondContact O-CB 3.19Å; L27-Y30 PolarHBondContact O-N 3.01Å; L27-F31 HydrophobicContact CB-CD2 4.32Å; L27-F31 HydrophobicContact CB-CE2 4.11Å; L27-F31 HydrophobicContact CD2-CE2 4.44Å; L27-F31 WeakPolarHBondContact O-CB 3.16Å; L27-F31 WeakPolarHBondContact O-CD2 3.4Å; L27-F31 WeakPolarHBondContact O-CG 3.46Å; L27-F31 PolarHBondContact O-N 3.44Å; L27-L54 HydrophobicContact CD1-CD2 4.36Å; L27-W58 HydrophobicContact CD1-CH2 3.93Å; L27-W58 HydrophobicContact CD1-CZ2 4.27Å |
| 28 | I | 75.9 | Confident | 69.2 | Low | 95 Ų | 95 | 77 Ų | 77 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 176.7 | -68.7 | 163.3 | 0 | 0 | 0 | 110.2 | G24 Q25 Y30 F31 S32 | G24-I28 WeakPolarHBondContact O-CB 3.37Å; G24-I28 WeakPolarHBondContact O-CD1 3.46Å; G24-I28 WeakPolarHBondContact O-CG1 3.46Å; G24-I28 PolarHBondContact O-N 3.22Å; Q25-I28 PolarHBondContact O-N 3.33Å; I28-Y30 VanDerWaalsContact C-N 3.32Å; I28-Y30 PolarHBondContact O-N 3.17Å; I28-F31 PolarHBondContact O-N 3.32Å; I28-S32 VanDerWaalsContact O-CB 3.24Å; I28-S32 WeakPolarHBondContact O-CB 3.17Å; I28-S32 PolarHBondContact O-N 3.29Å |
| 29 | D | 75.1 | Confident | 68.7 | Low | 108 Ų | 108 | 79.9 Ų | 79.9 | 58% | 0.578 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 175.1 | -170.6 | -96.4 | 0 | 0 | 0 | 111.2 | Q25 S32 D33 | Q25-D29 WeakPolarHBondContact O-CB 3.46Å; Q25-D29 PolarHBondContact O-N 3.02Å; D29-S32 PolarHBondContact O-N 2.91Å; D29-D33 PolarHBondContact O-N 3.48Å |
| 30 | Y | 73.3 | Confident | 67.9 | Low | 25 Ų | 25 | 74.5 Ų | 74.5 | 10% | 0.098 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.1 | -173.7 | -79.4 | 0 | 0 | 0 | 113 | R4 E26 L27 I28 S32 D33 K36 L40 | R4-Y30 HydrophobicContact CB-CE2 4.28Å; E26-Y30 WeakPolarHBondContact O-CB 3.4Å; E26-Y30 PolarHBondContact O-N 2.95Å; L27-Y30 WeakPolarHBondContact O-CB 3.19Å; L27-Y30 PolarHBondContact O-N 3.01Å; I28-Y30 VanDerWaalsContact C-N 3.32Å; I28-Y30 PolarHBondContact O-N 3.17Å; Y30-S32 VanDerWaalsContact C-N 3.33Å; Y30-D33 PolarHBondContact O-N 3.4Å; Y30-K36 HydrophobicContact CD1-CD 4.38Å; Y30-K36 HydrophobicContact CD2-CD 3.38Å; Y30-K36 HydrophobicContact CE1-CB 4.1Å; Y30-K36 HydrophobicContact CE1-CD 4.27Å; Y30-K36 HydrophobicContact CE2-CB 4.44Å; Y30-K36 HydrophobicContact CE2-CD 3.27Å; Y30-K36 HydrophobicContact CE2-CG 4.35Å; Y30-K36 HydrophobicContact CG-CD 3.94Å; Y30-L40 HydrophobicContact CD1-CD1 4.18Å; Y30-L40 HydrophobicContact CE1-CD1 3.79Å; Y30-L40 HydrophobicContact CE1-CD2 4.08Å; Y30-L40 HydrophobicContact CE1-CG 4.13Å |
| 31 | F | 70.6 | Confident | 67.4 | Low | 59 Ų | 59 | 81 Ų | 81 | 26% | 0.259 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.1 | -30 | 176.9 | -71.4 | -58.8 | 0 | 0 | 0 | 112.2 | L27 I28 D33 L40 L47 L50 L54 | L27-F31 HydrophobicContact CB-CD2 4.32Å; L27-F31 HydrophobicContact CB-CE2 4.11Å; L27-F31 HydrophobicContact CD2-CE2 4.44Å; L27-F31 WeakPolarHBondContact O-CB 3.16Å; L27-F31 WeakPolarHBondContact O-CD2 3.4Å; L27-F31 WeakPolarHBondContact O-CG 3.46Å; L27-F31 PolarHBondContact O-N 3.44Å; I28-F31 PolarHBondContact O-N 3.32Å; F31-D33 VanDerWaalsContact C-N 3.27Å; F31-L40 HydrophobicContact CD1-CD1 3.9Å; F31-L40 HydrophobicContact CE1-CD1 4.31Å; F31-L40 HydrophobicContact CE1-CD2 4.1Å; F31-L47 HydrophobicContact CE1-CD1 4.38Å; F31-L47 HydrophobicContact CE1-CG 4.15Å; F31-L50 HydrophobicContact CZ-CB 4.44Å; F31-L50 HydrophobicContact CZ-CD1 4.21Å; F31-L54 HydrophobicContact CE2-CD1 4.4Å |
| 32 | S | 68.9 | Low | 66.9 | Low | 96 Ų | 96 | 86.7 Ų | 86.7 | 67% | 0.671 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -74.1 | -20.3 | 175.4 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | I28 D29 Y30 R34 | I28-S32 VanDerWaalsContact O-CB 3.24Å; I28-S32 WeakPolarHBondContact O-CB 3.17Å; I28-S32 PolarHBondContact O-N 3.29Å; D29-S32 PolarHBondContact O-N 2.91Å; Y30-S32 VanDerWaalsContact C-N 3.33Å; S32-R34 PolarHBondContact O-N 2.89Å; S32-R34 VanDerWaalsContact O-N 3.14Å |
| 33 | D | 72 | Confident | 66.7 | Low | 57 Ų | 57 | 83.2 Ų | 83.2 | 31% | 0.305 | 42% | 0.416 | S | S | . | . | trans | -75.1 | 100.1 | 175.3 | -167.4 | -64.4 | 0 | 0 | 0 | 110.9 | D29 Y30 F31 Q35 K36 S37 | D29-D33 PolarHBondContact O-N 3.48Å; Y30-D33 PolarHBondContact O-N 3.4Å; F31-D33 VanDerWaalsContact C-N 3.27Å; D33-Q35 PolarHBondContact O-N 3.36Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.43Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.25Å; D33-Q35 PolarHBondContact OD1-N 3.49Å; D33-K36 HydrophobicContact CB-CB 4.42Å; D33-K36 HydrophobicContact CB-CD 4.24Å; D33-K36 HydrophobicContact CB-CG 4.19Å; D33-K36 PolarHBondContact O-N 3.33Å; D33-K36 PolarHBondContact OD1-N 2.79Å; D33-K36 VanDerWaalsContact OD1-N 3.15Å; D33-S37 PolarHBondContact O-N 3.2Å; D33-S37 VanDerWaalsContact O-N 3.07Å; D33-S37 PolarHBondContact O-OG 3.36Å | ||
| 34 | R | 57.5 | Low | 66.3 | Low | 227 Ų | 227 | 90 Ų | 90 | 86% | 0.857 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -58.8 | -19.1 | -179.2 | -153.4 | -173.3 | -71.8 | -152.1 | -0.4 | 113.6 | S32 S37 | S32-R34 PolarHBondContact O-N 2.89Å; S32-R34 VanDerWaalsContact O-N 3.14Å; R34-S37 WeakPolarHBondContact CA-OG 3.46Å |
| 35 | Q | 61.2 | Low | 66.5 | Low | 176 Ų | 176 | 94.8 Ų | 94.8 | 82% | 0.822 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -80.5 | -32.3 | 179.3 | -142.2 | 179.1 | 107.7 | 0 | 0 | 111.3 | D33 | D33-Q35 PolarHBondContact O-N 3.36Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.43Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.25Å; D33-Q35 PolarHBondContact OD1-N 3.49Å |
| 36 | K | 58.6 | Low | 66.7 | Low | 55 Ų | 55 | 92.6 Ų | 92.6 | 24% | 0.239 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -81.3 | -24.9 | 171.6 | -56.8 | -175.6 | -160.5 | 155.4 | 0 | 111.9 | Y30 D33 A38 D39 L40 | Y30-K36 HydrophobicContact CD1-CD 4.38Å; Y30-K36 HydrophobicContact CD2-CD 3.38Å; Y30-K36 HydrophobicContact CE1-CB 4.1Å; Y30-K36 HydrophobicContact CE1-CD 4.27Å; Y30-K36 HydrophobicContact CE2-CB 4.44Å; Y30-K36 HydrophobicContact CE2-CD 3.27Å; Y30-K36 HydrophobicContact CE2-CG 4.35Å; Y30-K36 HydrophobicContact CG-CD 3.94Å; D33-K36 HydrophobicContact CB-CB 4.42Å; D33-K36 HydrophobicContact CB-CD 4.24Å; D33-K36 HydrophobicContact CB-CG 4.19Å; D33-K36 PolarHBondContact O-N 3.33Å; D33-K36 PolarHBondContact OD1-N 2.79Å; D33-K36 VanDerWaalsContact OD1-N 3.15Å; K36-A38 PolarHBondContact O-N 2.99Å; K36-D39 PolarHBondContact O-N 3.32Å; K36-L40 WeakPolarHBondContact O-CG 3.44Å; K36-L40 PolarHBondContact O-N 3.1Å |
| 37 | S | 52 | Low | 66.7 | Low | 32 Ų | 32 | 88.6 Ų | 88.6 | 22% | 0.224 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.7 | -30.3 | 175 | -50.6 | 0 | 0 | 0 | 0 | 114.1 | D33 R34 D39 L40 E41 | D33-S37 PolarHBondContact O-N 3.2Å; D33-S37 VanDerWaalsContact O-N 3.07Å; D33-S37 PolarHBondContact O-OG 3.36Å; R34-S37 WeakPolarHBondContact CA-OG 3.46Å; S37-D39 VanDerWaalsContact C-N 3.31Å; S37-D39 PolarHBondContact O-N 2.82Å; S37-L40 WeakPolarHBondContact O-CB 3.49Å; S37-L40 PolarHBondContact O-N 2.82Å; S37-E41 WeakPolarHBondContact O-CG 3.35Å; S37-E41 PolarHBondContact O-N 3.49Å |
| 38 | A | 57.9 | Low | 67 | Low | 66 Ų | 66 | 93.9 Ų | 93.9 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -30.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K36 | K36-A38 PolarHBondContact O-N 2.99Å |
| 39 | D | 59.1 | Low | 67.3 | Low | 115 Ų | 115 | 94.7 Ų | 94.7 | 62% | 0.615 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -78.7 | -36.8 | 173.8 | -156.6 | -111.5 | 0 | 0 | 0 | 110.3 | K36 S37 E41 H42 | K36-D39 PolarHBondContact O-N 3.32Å; S37-D39 VanDerWaalsContact C-N 3.31Å; S37-D39 PolarHBondContact O-N 2.82Å; D39-E41 VanDerWaalsContact C-N 3.34Å; D39-E41 PolarHBondContact O-N 2.9Å; D39-H42 WeakPolarHBondContact O-CB 2.84Å; D39-H42 PolarHBondContact O-N 3.11Å |
| 40 | L | 58.3 | Low | 67.4 | Low | 6 Ų | 6 | 89.6 Ų | 89.6 | 3% | 0.031 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.1 | -32.4 | 176.1 | -73.8 | 166.7 | 0 | 0 | 0 | 113.7 | M5 Y30 F31 K36 S37 H42 D43 L47 | M5-L40 HydrophobicContact CE-CD2 3.26Å; M5-L40 HydrophobicContact CG-CD2 4.29Å; M5-L40 HydrophobicContact SD-CD2 3.52Å; M5-L40 VanDerWaalsContact SD-CD2 3.52Å; Y30-L40 HydrophobicContact CD1-CD1 4.18Å; Y30-L40 HydrophobicContact CE1-CD1 3.79Å; Y30-L40 HydrophobicContact CE1-CD2 4.08Å; Y30-L40 HydrophobicContact CE1-CG 4.13Å; F31-L40 HydrophobicContact CD1-CD1 3.9Å; F31-L40 HydrophobicContact CE1-CD1 4.31Å; F31-L40 HydrophobicContact CE1-CD2 4.1Å; K36-L40 WeakPolarHBondContact O-CG 3.44Å; K36-L40 PolarHBondContact O-N 3.1Å; S37-L40 WeakPolarHBondContact O-CB 3.49Å; S37-L40 PolarHBondContact O-N 2.82Å; L40-H42 PolarHBondContact O-N 2.92Å; L40-D43 PolarHBondContact O-N 3.23Å; L40-L47 HydrophobicContact CB-CD1 3.67Å; L40-L47 HydrophobicContact CD2-CD1 3.67Å; L40-L47 HydrophobicContact CD2-CG 4.43Å; L40-L47 HydrophobicContact CG-CD1 4.17Å |
| 41 | E | 59.9 | Low | 67.6 | Low | 153 Ų | 153 | 92 Ų | 92 | 72% | 0.715 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -26.5 | 175.7 | -78.2 | -176.7 | 92 | 0 | 0 | 112.6 | S37 D39 | S37-E41 WeakPolarHBondContact O-CG 3.35Å; S37-E41 PolarHBondContact O-N 3.49Å; D39-E41 VanDerWaalsContact C-N 3.34Å; D39-E41 PolarHBondContact O-N 2.9Å |
| 42 | H | 61 | Low | 68.2 | Low | 172 Ų | 172 | 93.7 Ų | 93.7 | 80% | 0.796 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -30.1 | 179.6 | -146.2 | 79.8 | 0 | 0 | 0 | 112.5 | D39 L40 | D39-H42 WeakPolarHBondContact O-CB 2.84Å; D39-H42 PolarHBondContact O-N 3.11Å; L40-H42 PolarHBondContact O-N 2.92Å |
| 43 | D | 70.4 | Confident | 68.5 | Low | 79 Ų | 79 | 89.3 Ų | 89.3 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 53.2 | -175 | -97.3 | -75.1 | 0 | 0 | 0 | 112.2 | M5 L40 T45 L46 L47 | M5-D43 HydrophobicContact CE-CB 4.41Å; M5-D43 HydrophobicContact SD-CB 4.3Å; L40-D43 PolarHBondContact O-N 3.23Å; D43-T45 PolarHBondContact O-N 3.25Å; D43-T45 VanDerWaalsContact O-N 3.14Å; D43-L46 HydrophobicContact CB-CB 4.2Å; D43-L46 PolarHBondContact O-N 2.94Å; D43-L47 PolarHBondContact O-N 2.89Å; D43-L47 VanDerWaalsContact O-N 3.12Å |
| 44 | Q | 66.3 | Low | 68.7 | Low | 152 Ų | 152 | 88.3 Ų | 88.3 | 71% | 0.71 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -50.6 | -38 | 176.6 | -93.8 | -175 | -14.5 | 0 | 0 | 113.2 | L46 L47 D48 | Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.23Å; Q44-L47 PolarHBondContact O-N 3.24Å; Q44-D48 WeakPolarHBondContact O-CB 2.93Å; Q44-D48 PolarHBondContact O-N 3.28Å |
| 45 | T | 78.8 | Confident | 69.5 | Low | 101 Ų | 101 | 80 Ų | 80 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 179 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | D43 K49 | D43-T45 PolarHBondContact O-N 3.25Å; D43-T45 VanDerWaalsContact O-N 3.14Å; T45-K49 WeakPolarHBondContact O-CG 3.3Å; T45-K49 PolarHBondContact O-N 3.03Å |
| 46 | L | 74.2 | Confident | 70 | Confident | 31 Ų | 31 | 74.8 Ų | 74.8 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -76.8 | -34.5 | -179.3 | -169.9 | 63 | 0 | 0 | 0 | 110.6 | M5 E6 L9 D43 Q44 K49 L50 | M5-L46 HydrophobicContact CB-CD2 3.59Å; M5-L46 HydrophobicContact CE-CB 3.76Å; M5-L46 HydrophobicContact CE-CD2 4.1Å; M5-L46 HydrophobicContact CE-CG 3.91Å; M5-L46 HydrophobicContact CG-CD2 3.41Å; M5-L46 VanDerWaalsContact CG-CD2 3.41Å; M5-L46 HydrophobicContact CG-CG 3.9Å; M5-L46 HydrophobicContact SD-CB 4.34Å; M5-L46 HydrophobicContact SD-CD2 3.63Å; M5-L46 HydrophobicContact SD-CG 4.13Å; E6-L46 HydrophobicContact CG-CD2 4.49Å; L9-L46 HydrophobicContact CD2-CD1 3.78Å; D43-L46 HydrophobicContact CB-CB 4.2Å; D43-L46 PolarHBondContact O-N 2.94Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.23Å; L46-K49 PolarHBondContact O-N 2.87Å; L46-L50 WeakPolarHBondContact O-CB 3.44Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 3.34Å |
| 47 | L | 76 | Confident | 70.6 | Confident | 52 Ų | 52 | 73.8 Ų | 73.8 | 27% | 0.272 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 174.4 | -149.2 | 147.1 | 0 | 0 | 0 | 111.7 | M5 F31 L40 D43 Q44 L50 V51 | M5-L47 HydrophobicContact CE-CB 3.86Å; M5-L47 HydrophobicContact CE-CD1 4.32Å; M5-L47 HydrophobicContact CE-CG 4.28Å; F31-L47 HydrophobicContact CE1-CD1 4.38Å; F31-L47 HydrophobicContact CE1-CG 4.15Å; L40-L47 HydrophobicContact CB-CD1 3.67Å; L40-L47 HydrophobicContact CD2-CD1 3.67Å; L40-L47 HydrophobicContact CD2-CG 4.43Å; L40-L47 HydrophobicContact CG-CD1 4.17Å; D43-L47 PolarHBondContact O-N 2.89Å; D43-L47 VanDerWaalsContact O-N 3.12Å; Q44-L47 PolarHBondContact O-N 3.24Å; L47-L50 WeakPolarHBondContact O-CB 3.05Å; L47-L50 PolarHBondContact O-N 3.2Å; L47-V51 HydrophobicContact CD2-CG2 4.03Å; L47-V51 WeakPolarHBondContact O-CG2 3.42Å; L47-V51 PolarHBondContact O-N 2.9Å |
| 48 | D | 80.6 | Confident | 71.4 | Confident | 114 Ų | 114 | 73 Ų | 73 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -59.9 | -45.6 | 174.6 | -173.3 | -100.7 | 0 | 0 | 0 | 111.4 | Q44 L50 V51 D52 | Q44-D48 WeakPolarHBondContact O-CB 2.93Å; Q44-D48 PolarHBondContact O-N 3.28Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 2.9Å; D48-V51 PolarHBondContact O-N 2.87Å; D48-D52 VanDerWaalsContact O-CB 3.31Å; D48-D52 WeakPolarHBondContact O-CB 3.4Å; D48-D52 PolarHBondContact O-N 3.36Å |
| 49 | K | 80.9 | Confident | 71.7 | Confident | 113 Ų | 113 | 73.9 Ų | 73.9 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 174.5 | -73.6 | 172.9 | -178 | -68.7 | 0 | 113.5 | L9 T45 L46 G53 | L9-K49 HydrophobicContact CD1-CB 4.15Å; T45-K49 WeakPolarHBondContact O-CG 3.3Å; T45-K49 PolarHBondContact O-N 3.03Å; L46-K49 PolarHBondContact O-N 2.87Å; K49-G53 PolarHBondContact O-N 3.23Å |
| 50 | L | 78 | Confident | 71.7 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 175.5 | -87.3 | 163.3 | 0 | 0 | 0 | 111 | M5 C8 L9 V12 F31 L46 L47 D48 G53 L54 | M5-L50 HydrophobicContact CE-CD1 4.11Å; M5-L50 HydrophobicContact CG-CD1 3.93Å; C8-L50 HydrophobicContact CB-CD1 4.45Å; C8-L50 HydrophobicContact CB-CD2 4.14Å; L9-L50 VanDerWaalsContact CA-CD2 3.42Å; L9-L50 HydrophobicContact CB-CD2 3.93Å; L9-L50 HydrophobicContact CB-CG 4.16Å; L9-L50 HydrophobicContact CD1-CD2 4.01Å; L9-L50 HydrophobicContact CD1-CG 3.95Å; V12-L50 HydrophobicContact CB-CD2 4.14Å; V12-L50 HydrophobicContact CG2-CD2 3.59Å; F31-L50 HydrophobicContact CZ-CB 4.44Å; F31-L50 HydrophobicContact CZ-CD1 4.21Å; L46-L50 WeakPolarHBondContact O-CB 3.44Å; L46-L50 WeakPolarHBondContact O-CG 3.45Å; L46-L50 PolarHBondContact O-N 3.34Å; L47-L50 WeakPolarHBondContact O-CB 3.05Å; L47-L50 PolarHBondContact O-N 3.2Å; D48-L50 VanDerWaalsContact C-N 3.34Å; D48-L50 PolarHBondContact O-N 2.9Å; L50-G53 PolarHBondContact O-N 2.78Å; L50-L54 WeakPolarHBondContact O-CB 3.31Å; L50-L54 VanDerWaalsContact O-CG 3.25Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.38Å |
| 51 | V | 77.6 | Confident | 71.4 | Confident | 76 Ų | 76 | 77.2 Ų | 77.2 | 46% | 0.461 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 111 | L47 D48 L54 A55 | L47-V51 HydrophobicContact CD2-CG2 4.03Å; L47-V51 WeakPolarHBondContact O-CG2 3.42Å; L47-V51 PolarHBondContact O-N 2.9Å; D48-V51 PolarHBondContact O-N 2.87Å; V51-L54 PolarHBondContact O-N 3.08Å; V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.2Å; V51-A55 PolarHBondContact O-N 2.71Å |
| 52 | D | 82 | Confident | 71 | Confident | 93 Ų | 93 | 74.4 Ų | 74.4 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 174.7 | -178.1 | -102.7 | 0 | 0 | 0 | 111.1 | D48 L54 A55 T56 | D48-D52 VanDerWaalsContact O-CB 3.31Å; D48-D52 WeakPolarHBondContact O-CB 3.4Å; D48-D52 PolarHBondContact O-N 3.36Å; D52-L54 PolarHBondContact O-N 3.03Å; D52-A55 PolarHBondContact O-N 3.32Å; D52-T56 WeakPolarHBondContact O-CB 2.92Å; D52-T56 PolarHBondContact O-N 2.96Å; D52-T56 PolarHBondContact O-OG1 3.41Å |
| 53 | G | 76.9 | Confident | 70.6 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K49 L50 S57 | K49-G53 PolarHBondContact O-N 3.23Å; L50-G53 PolarHBondContact O-N 2.78Å; G53-S57 VanDerWaalsContact O-CA 3.3Å; G53-S57 WeakPolarHBondContact O-CA 3.04Å; G53-S57 WeakPolarHBondContact O-CB 3.17Å; G53-S57 PolarHBondContact O-N 3.21Å |
| 54 | L | 75.7 | Confident | 69.6 | Low | 37 Ų | 37 | 69.6 Ų | 69.6 | 19% | 0.194 | 39% | 0.392 | C | S | . | . | I | π-helix | trans | -66.2 | -50.2 | 173.2 | -73 | 168 | 0 | 0 | 0 | 110.6 | V12 L27 F31 L50 V51 D52 W58 V59 | V12-L54 HydrophobicContact CG1-CB 4.49Å; V12-L54 HydrophobicContact CG1-CD2 4Å; V12-L54 HydrophobicContact CG1-CG 3.83Å; V12-L54 HydrophobicContact CG2-CD2 3.76Å; V12-L54 HydrophobicContact CG2-CG 3.93Å; L27-L54 HydrophobicContact CD1-CD2 4.36Å; F31-L54 HydrophobicContact CE2-CD1 4.4Å; L50-L54 WeakPolarHBondContact O-CB 3.31Å; L50-L54 VanDerWaalsContact O-CG 3.25Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.38Å; V51-L54 PolarHBondContact O-N 3.08Å; D52-L54 PolarHBondContact O-N 3.03Å; L54-W58 HydrophobicContact CD2-CD2 3.41Å; L54-W58 VanDerWaalsContact CD2-CD2 3.41Å; L54-W58 VanDerWaalsContact CD2-CE2 3.42Å; L54-W58 HydrophobicContact CD2-CE3 3.4Å; L54-W58 HydrophobicContact CD2-CG 4.16Å; L54-W58 HydrophobicContact CD2-CH2 3.47Å; L54-W58 VanDerWaalsContact CD2-CH2 3.47Å; L54-W58 HydrophobicContact CD2-CZ2 3.51Å; L54-W58 HydrophobicContact CD2-CZ3 3.4Å; L54-W58 VanDerWaalsContact CD2-CZ3 3.4Å; L54-W58 WeakPolarHBondContact O-CA 3.43Å; L54-W58 WeakPolarHBondContact O-CB 3.5Å; L54-W58 PolarHBondContact O-N 3.42Å; L54-V59 PolarHBondContact O-N 2.94Å |
| 55 | A | 73.4 | Confident | 68.6 | Low | 52 Ų | 52 | 70.7 Ų | 70.7 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | I | π-helix | trans | -63.8 | -44.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | V51 D52 V59 | V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.2Å; V51-A55 PolarHBondContact O-N 2.71Å; D52-A55 PolarHBondContact O-N 3.32Å; A55-V59 WeakPolarHBondContact O-CB 3.38Å; A55-V59 PolarHBondContact O-N 3.21Å |
| 56 | T | 72.9 | Confident | 67.1 | Low | 66 Ų | 66 | 70.8 Ų | 70.8 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | I | π-helix | trans | -86.1 | -42.1 | -177.7 | 57.7 | 0 | 0 | 0 | 0 | 112.6 | D52 N60 | D52-T56 WeakPolarHBondContact O-CB 2.92Å; D52-T56 PolarHBondContact O-N 2.96Å; D52-T56 PolarHBondContact O-OG1 3.41Å; T56-N60 WeakPolarHBondContact O-CB 3.42Å |
| 57 | S | 69.7 | Low | 65.7 | Low | 34 Ų | 34 | 72.4 Ų | 72.4 | 24% | 0.238 | 40% | 0.402 | C | S | . | . | I | π-helix | trans | -83.9 | -29.1 | -175.1 | -161.2 | 0 | 0 | 0 | 0 | 112.4 | R20 G53 S61 | R20-S57 PolarHBondContact NH1-O 2.85Å; R20-S57 PolarHBondContact NH1-OG 2.88Å; G53-S57 VanDerWaalsContact O-CA 3.3Å; G53-S57 WeakPolarHBondContact O-CA 3.04Å; G53-S57 WeakPolarHBondContact O-CB 3.17Å; G53-S57 PolarHBondContact O-N 3.21Å; S57-S61 WeakPolarHBondContact O-CB 3.39Å |
| 58 | W | 70.6 | Confident | 64.3 | Low | 15 Ų | 15 | 73.9 Ų | 73.9 | 6% | 0.057 | 42% | 0.415 | C | S | . | . | I | π-helix | trans | -102.1 | -37.7 | -175.8 | -57.8 | 22.4 | 0 | 0 | 0 | 113 | V12 R20 L27 L54 Y64 | V12-W58 HydrophobicContact CB-CZ2 4.48Å; V12-W58 HydrophobicContact CG2-CZ2 4.13Å; V12-W58 PolarHBondContact O-NE1 3.3Å; R20-W58 HydrophobicContact CB-CD2 4.35Å; R20-W58 HydrophobicContact CB-CH2 4.37Å; R20-W58 HydrophobicContact CB-CZ2 3.69Å; R20-W58 HydrophobicContact CG-CZ2 3.88Å; R20-W58 WeakPolarHBondContact O-CH2 3.11Å; R20-W58 WeakPolarHBondContact O-CZ2 3.4Å; R20-W58 WeakPolarHBondContact O-CZ3 3.42Å; L27-W58 HydrophobicContact CD1-CH2 3.93Å; L27-W58 HydrophobicContact CD1-CZ2 4.27Å; L54-W58 HydrophobicContact CD2-CD2 3.41Å; L54-W58 VanDerWaalsContact CD2-CD2 3.41Å; L54-W58 VanDerWaalsContact CD2-CE2 3.42Å; L54-W58 HydrophobicContact CD2-CE3 3.4Å; L54-W58 HydrophobicContact CD2-CG 4.16Å; L54-W58 HydrophobicContact CD2-CH2 3.47Å; L54-W58 VanDerWaalsContact CD2-CH2 3.47Å; L54-W58 HydrophobicContact CD2-CZ2 3.51Å; L54-W58 HydrophobicContact CD2-CZ3 3.4Å; L54-W58 VanDerWaalsContact CD2-CZ3 3.4Å; L54-W58 WeakPolarHBondContact O-CA 3.43Å; L54-W58 WeakPolarHBondContact O-CB 3.5Å; L54-W58 PolarHBondContact O-N 3.42Å; W58-Y64 HydrophobicContact CD2-CD2 4.43Å; W58-Y64 HydrophobicContact CD2-CE2 4.45Å; W58-Y64 AromaticContact CE3-CD2 3.65Å; W58-Y64 HydrophobicContact CE3-CD2 3.65Å; W58-Y64 HydrophobicContact CE3-CE1 4.5Å; W58-Y64 AromaticContact CE3-CE2 3.38Å; W58-Y64 HydrophobicContact CE3-CE2 3.38Å; W58-Y64 HydrophobicContact CE3-CG 4.32Å; W58-Y64 AromaticContact CE3-CZ 3.89Å; W58-Y64 HydrophobicContact CZ3-CD2 4.28Å; W58-Y64 AromaticContact CZ3-CE2 3.54Å; W58-Y64 HydrophobicContact CZ3-CE2 3.54Å; W58-Y64 AromaticContact CZ3-CZ 3.83Å |
| 59 | V | 63.3 | Low | 62.4 | Low | 86 Ų | 86 | 75.3 Ų | 75.3 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | I | π-helix | trans | -80.6 | -35.3 | 178.2 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | L54 A55 | L54-V59 PolarHBondContact O-N 2.94Å; A55-V59 WeakPolarHBondContact O-CB 3.38Å; A55-V59 PolarHBondContact O-N 3.21Å |
| 60 | N | 58.8 | Low | 60.5 | Low | 133 Ų | 133 | 77.1 Ų | 77.1 | 71% | 0.711 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -34.2 | 179.1 | -144 | -31.5 | 0 | 0 | 0 | 111.9 | T56 S62 | T56-N60 WeakPolarHBondContact O-CB 3.42Å; N60-S62 VanDerWaalsContact C-N 3.28Å; N60-S62 PolarHBondContact O-N 3.29Å |
| 61 | S | 52.8 | Low | 58.7 | Low | 57 Ų | 57 | 85.6 Ų | 85.6 | 40% | 0.399 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 71.2 | 170.5 | -166.2 | 0 | 0 | 0 | 0 | 109.9 | S57 N63 | S57-S61 WeakPolarHBondContact O-CB 3.39Å; S61-N63 PolarHBondContact O-N 3.11Å |
| 62 | S | 50.8 | Low | 56.9 | Low | 95 Ų | 95 | 90.8 Ų | 90.8 | 66% | 0.664 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.6 | 103 | -170.3 | -79.2 | 0 | 0 | 0 | 0 | 114.9 | N60 | N60-S62 VanDerWaalsContact C-N 3.28Å; N60-S62 PolarHBondContact O-N 3.29Å |
| 63 | N | 53 | Low | 54.9 | Low | 112 Ų | 112 | 96.4 Ų | 96.4 | 60% | 0.599 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -156.1 | -8.7 | 143.5 | -96.9 | -55.8 | 0 | 0 | 0 | 113.2 | V17 S61 K65 | V17-N63 HydrophobicContact CG1-CB 4.5Å; S61-N63 PolarHBondContact O-N 3.11Å; N63-K65 VanDerWaalsContact C-N 3.27Å; N63-K65 PolarHBondContact O-N 3.31Å |
| 64 | Y | 50.1 | Low | 53.8 | Low | 37 Ų | 37 | 101 Ų | 101 | 15% | 0.145 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -7.2 | -179.2 | -141.8 | -86.8 | 0 | 0 | 0 | 114.8 | L21 W58 V66 | L21-Y64 HydrophobicContact CD1-CD2 3.53Å; L21-Y64 HydrophobicContact CD1-CE2 3.39Å; L21-Y64 HydrophobicContact CD1-CG 4.45Å; L21-Y64 HydrophobicContact CG-CE2 4.23Å; W58-Y64 HydrophobicContact CD2-CD2 4.43Å; W58-Y64 HydrophobicContact CD2-CE2 4.45Å; W58-Y64 AromaticContact CE3-CD2 3.65Å; W58-Y64 HydrophobicContact CE3-CD2 3.65Å; W58-Y64 HydrophobicContact CE3-CE1 4.5Å; W58-Y64 AromaticContact CE3-CE2 3.38Å; W58-Y64 HydrophobicContact CE3-CE2 3.38Å; W58-Y64 HydrophobicContact CE3-CG 4.32Å; W58-Y64 AromaticContact CE3-CZ 3.89Å; W58-Y64 HydrophobicContact CZ3-CD2 4.28Å; W58-Y64 AromaticContact CZ3-CE2 3.54Å; W58-Y64 HydrophobicContact CZ3-CE2 3.54Å; W58-Y64 AromaticContact CZ3-CZ 3.83Å; Y64-V66 PolarHBondContact O-N 3.49Å |
| 65 | K | 44.1 | Very low | 52.6 | Low | 176 Ų | 176 | 104.4 Ų | 104.4 | 77% | 0.765 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -16.9 | 174.7 | -101 | -176.3 | 172.8 | -177.2 | 0 | 113.5 | N63 | N63-K65 VanDerWaalsContact C-N 3.27Å; N63-K65 PolarHBondContact O-N 3.31Å |
| 66 | V | 46.9 | Very low | 51.5 | Low | 102 Ų | 102 | 107.3 Ų | 107.3 | 62% | 0.618 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -29.2 | -173.7 | -170.3 | 0 | 0 | 0 | 0 | 112.2 | Y64 | Y64-V66 PolarHBondContact O-N 3.49Š|
| 67 | E | 45.7 | Very low | 50.2 | Low | 66 Ų | 66 | 109.7 Ų | 109.7 | 31% | 0.308 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -33.9 | -176.6 | -85.5 | -97.3 | 88 | 0 | 0 | 114 | L21 H69 F70 | L21-E67 HydrophobicContact CD1-CB 4.37Å; L21-E67 HydrophobicContact CD1-CG 4Å; L21-E67 HydrophobicContact CD2-CG 4.11Å; L21-E67 WeakPolarHBondContact CD2-OE2 3.48Å; L21-E67 HydrophobicContact CG-CG 4.44Å; E67-H69 PolarHBondContact O-N 3.36Å; E67-F70 WeakPolarHBondContact O-CB 2.97Å; E67-F70 PolarHBondContact O-N 3.05Å |
| 68 | C | 46.3 | Very low | 49 | Very low | 83 Ų | 83 | 114.4 Ų | 114.4 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -17 | 173.7 | -70.7 | 0 | 0 | 0 | 0 | 113.2 | F70 | C68-F70 VanDerWaalsContact C-N 3.33Š|
| 69 | H | 40.1 | Very low | 47.5 | Very low | 143 Ų | 143 | 121.1 Ų | 121.1 | 66% | 0.662 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -16.7 | 171.5 | -139.2 | 79.2 | 0 | 0 | 0 | 112.7 | E67 | E67-H69 PolarHBondContact O-N 3.36Š|
| 70 | F | 41.9 | Very low | 46.4 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 66% | 0.662 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -81.8 | -19.5 | -178.1 | -132 | -90.5 | 0 | 0 | 0 | 113.4 | E67 C68 K72 | E67-F70 WeakPolarHBondContact O-CB 2.97Å; E67-F70 PolarHBondContact O-N 3.05Å; C68-F70 VanDerWaalsContact C-N 3.33Å; F70-K72 VanDerWaalsContact C-N 3.3Å; F70-K72 PolarHBondContact O-N 3.14Å |
| 71 | Y | 39.9 | Very low | 45.5 | Very low | 179 Ų | 179 | 122.8 Ų | 122.8 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -87.5 | 8.8 | 175.6 | -95.6 | -92 | 0 | 0 | 0 | 114.3 | Q25 | Q25-Y71 VanDerWaalsContact NE2-CZ 3.27Å; Q25-Y71 PolarHBondContact NE2-OH 2.76Å |
| 72 | K | 41.2 | Very low | 44.8 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -124.2 | 24.9 | -177.2 | -147.8 | 169.9 | 178.8 | 164.6 | 0 | 113.5 | F70 | F70-K72 VanDerWaalsContact C-N 3.3Å; F70-K72 PolarHBondContact O-N 3.14Å |
| 73 | I | 38.3 | Very low | 44.3 | Very low | 211 Ų | 211 | 131.4 Ų | 131.4 | 100% | 1.082 | 63% | 0.628 | S | S | * | * | trans | -117.9 | 0 | 167.9 | -68.2 | 170.9 | 0 | 0 | 0 | 108.5 |
Retrieved 73 of 73 residues in 105.9 ms
(Link to these results)