| 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 | 59.4 | Low | 88.7 | Confident | 235 Ų | 235 | 112.6 Ų | 112.6 | 100% | 1.158 | 60% | 0.604 | S | S | * | * | 0 | 125.4 | 0 | -73.6 | -172.3 | 169.8 | 0 | 0 | 107.7 | |||||
| 2 | S | 77 | Confident | 89.4 | Confident | 121 Ų | 121 | 103.3 Ų | 103.3 | 85% | 0.846 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 150.3 | 179.6 | -50.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 3 | A | 83.1 | Confident | 89.9 | Confident | 90 Ų | 90 | 104.2 Ų | 104.2 | 74% | 0.744 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -65 | 133.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 4 | P | 88.2 | Confident | 90.5 | Very high | 28 Ų | 28 | 99 Ų | 99 | 18% | 0.182 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 145.9 | -179.3 | 25.2 | -32.7 | 0 | 0 | 0 | 111.3 | E8 R9 P45 W48 | P4-E8 WeakPolarHBondContact CA-OE2 3.48Å; P4-E8 HydrophobicContact CB-CB 4Å; P4-R9 HydrophobicContact CB-CG 4.26Å; P4-R9 HydrophobicContact CG-CG 4.06Å; P4-R9 PolarHBondContact O-NH1 2.89Å; P4-P45 HydrophobicContact CG-CG 4.32Å; P4-W48 HydrophobicContact CG-CH2 4.21Å; P4-W48 HydrophobicContact CG-CZ2 4.26Å |
| 5 | T | 94.8 | Very high | 91 | Very high | 74 Ų | 74 | 92.7 Ų | 92.7 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 169.2 | 176.8 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | E7 E8 R9 | T5-E7 VanDerWaalsContact C-N 3.26Å; T5-E7 PolarHBondContact O-N 2.85Å; T5-E7 PolarHBondContact OG1-N 2.89Å; T5-E8 PolarHBondContact N-OE2 2.57Å; T5-E8 PolarHBondContact O-N 2.72Å; T5-E8 WeakPolarHBondContact OG1-CG 3.28Å; T5-E8 PolarHBondContact OG1-N 3.05Å; T5-E8 PolarHBondContact OG1-OE2 3.02Å; T5-R9 VanDerWaalsContact O-CG 3.27Å; T5-R9 WeakPolarHBondContact O-CG 3.25Å; T5-R9 PolarHBondContact O-N 3.22Å |
| 6 | M | 94.3 | Very high | 91.4 | Very high | 139 Ų | 139 | 89.7 Ų | 89.7 | 69% | 0.685 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.8 | -39.9 | 175.7 | -171.7 | -179.2 | 87.7 | 0 | 0 | 112.3 | R9 K10 | M6-R9 PolarHBondContact O-N 3.33Å; M6-K10 PolarHBondContact O-N 3.16Å |
| 7 | E | 95.3 | Very high | 91.8 | Very high | 154 Ų | 154 | 89.1 Ų | 89.1 | 72% | 0.72 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69 | -43 | -178.8 | -62.6 | -176.2 | 146.4 | 0 | 0 | 111.4 | T5 R9 K10 A11 | T5-E7 VanDerWaalsContact C-N 3.26Å; T5-E7 PolarHBondContact O-N 2.85Å; T5-E7 PolarHBondContact OG1-N 2.89Å; E7-R9 VanDerWaalsContact C-N 3.32Å; E7-R9 PolarHBondContact O-N 3.05Å; E7-K10 PolarHBondContact O-N 3.35Å; E7-A11 WeakPolarHBondContact O-CB 3.32Å; E7-A11 PolarHBondContact O-N 3.28Å |
| 8 | E | 94.6 | Very high | 92.1 | Very high | 104 Ų | 104 | 90 Ų | 90 | 49% | 0.486 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 174.8 | -70.6 | 173.1 | 148.7 | 0 | 0 | 111.4 | P4 T5 K10 A11 C12 | P4-E8 WeakPolarHBondContact CA-OE2 3.48Å; P4-E8 HydrophobicContact CB-CB 4Å; T5-E8 PolarHBondContact N-OE2 2.57Å; T5-E8 PolarHBondContact O-N 2.72Å; T5-E8 WeakPolarHBondContact OG1-CG 3.28Å; T5-E8 PolarHBondContact OG1-N 3.05Å; T5-E8 PolarHBondContact OG1-OE2 3.02Å; E8-K10 PolarHBondContact O-N 3.43Å; E8-A11 PolarHBondContact O-N 2.9Å; E8-C12 VanDerWaalsContact O-CB 3.31Å; E8-C12 WeakPolarHBondContact O-CB 3.11Å; E8-C12 PolarHBondContact O-N 3.39Å |
| 9 | R | 95.5 | Very high | 92.5 | Very high | 92 Ų | 92 | 85.8 Ų | 85.8 | 35% | 0.347 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.4 | -69.6 | -169.4 | -64 | -101.5 | 11.3 | 111.8 | P4 T5 M6 E7 C12 W13 W48 | P4-R9 HydrophobicContact CB-CG 4.26Å; P4-R9 HydrophobicContact CG-CG 4.06Å; P4-R9 PolarHBondContact O-NH1 2.89Å; T5-R9 VanDerWaalsContact O-CG 3.27Å; T5-R9 WeakPolarHBondContact O-CG 3.25Å; T5-R9 PolarHBondContact O-N 3.22Å; M6-R9 PolarHBondContact O-N 3.33Å; E7-R9 VanDerWaalsContact C-N 3.32Å; E7-R9 PolarHBondContact O-N 3.05Å; R9-C12 PolarHBondContact O-N 3.36Å; R9-W13 PolarHBondContact O-N 3.45Å; R9-W48 HydrophobicContact CB-CH2 4.39Å; R9-W48 HydrophobicContact CB-CZ3 4.3Å; R9-W48 HydrophobicContact CG-CH2 3.52Å; R9-W48 HydrophobicContact CG-CZ3 3.81Å |
| 10 | K | 96.5 | Very high | 92.7 | Very high | 164 Ų | 164 | 83.3 Ų | 83.3 | 71% | 0.713 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 178.2 | -171.4 | 179.4 | 179.6 | -177.2 | 0 | 111.3 | M6 E7 E8 W13 G14 | M6-K10 PolarHBondContact O-N 3.16Å; E7-K10 PolarHBondContact O-N 3.35Å; E8-K10 PolarHBondContact O-N 3.43Å; K10-W13 PolarHBondContact O-N 3.31Å; K10-G14 PolarHBondContact O-N 2.71Å |
| 11 | A | 96.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 84.3 Ų | 84.3 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E7 E8 G14 A15 | E7-A11 WeakPolarHBondContact O-CB 3.32Å; E7-A11 PolarHBondContact O-N 3.28Å; E8-A11 PolarHBondContact O-N 2.9Å; A11-G14 PolarHBondContact O-N 2.94Å; A11-A15 PolarHBondContact O-N 3.14Å |
| 12 | C | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.007 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -50.5 | 175.4 | 168.1 | 0 | 0 | 0 | 0 | 112 | E8 R9 G14 A15 R16 C44 | E8-C12 VanDerWaalsContact O-CB 3.31Å; E8-C12 WeakPolarHBondContact O-CB 3.11Å; E8-C12 PolarHBondContact O-N 3.39Å; R9-C12 PolarHBondContact O-N 3.36Å; C12-G14 VanDerWaalsContact C-N 3.33Å; C12-G14 PolarHBondContact O-N 3.42Å; C12-A15 PolarHBondContact O-N 3.24Å; C12-R16 PolarHBondContact O-N 2.04Å; C12-C44 VanDerWaalsContact C-SG 3.57Å; C12-C44 WeakPolarHBondContact CA-SG 3.39Å; C12-C44 HydrophobicContact CB-CB 4.06Å; C12-C44 WeakPolarHBondContact CB-SG 3.4Å; C12-C44 PolarHBondContact O-SG 3.28Å; C12-C44 VanDerWaalsContact O-SG 3.36Å; C12-C44 VanDerWaalsContact SG-CA 3.57Å; C12-C44 WeakPolarHBondContact SG-CB 3.37Å; C12-C44 CovalentContact SG-SG 2.02Å; C12-C44 PolarHBondContact SG-SG 2.93Å |
| 13 | W | 96 | Very high | 95.7 | Very high | 115 Ų | 115 | 68.8 Ų | 68.8 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.4 | -36.4 | 179.8 | -63.5 | -9.2 | 0 | 0 | 0 | 112.4 | R9 K10 R16 D17 W48 F52 | R9-W13 PolarHBondContact O-N 3.45Å; K10-W13 PolarHBondContact O-N 3.31Å; W13-R16 WeakPolarHBondContact O-CB 3.27Å; W13-R16 PolarHBondContact O-N 3.01Å; W13-D17 PolarHBondContact O-N 3.25Å; W13-W48 AromaticContact NE1-CZ3 3.55Å; W13-F52 AromaticContact CD1-CZ 3.79Å; W13-F52 AromaticContact NE1-CZ 3.66Å |
| 14 | G | 97.8 | Very high | 96.3 | Very high | 31 Ų | 31 | 69.4 Ų | 69.4 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | K10 A11 C12 R16 D17 E18 | K10-G14 PolarHBondContact O-N 2.71Å; A11-G14 PolarHBondContact O-N 2.94Å; C12-G14 VanDerWaalsContact C-N 3.33Å; C12-G14 PolarHBondContact O-N 3.42Å; G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 3.27Å; G14-D17 PolarHBondContact O-N 2.71Å; G14-D17 VanDerWaalsContact O-N 3.14Å; G14-E18 WeakPolarHBondContact O-CG 3.4Å; G14-E18 PolarHBondContact O-N 3.25Å |
| 15 | A | 97.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 75.1 Ų | 75.1 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A11 C12 F19 F40 R43 | A11-A15 PolarHBondContact O-N 3.14Å; C12-A15 PolarHBondContact O-N 3.24Å; A15-F19 WeakPolarHBondContact O-CB 3.38Å; A15-F19 PolarHBondContact O-N 3.02Å; A15-F40 HydrophobicContact CB-CB 4.41Å; A15-R43 HydrophobicContact CB-CB 4.4Å |
| 16 | R | 98.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 74 Ų | 74 | 17% | 0.166 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.2 | -50.9 | 170.9 | -179.7 | -159.9 | 65.9 | -154 | -3.8 | 110.6 | C12 W13 G14 F19 W20 F40 F52 | C12-R16 PolarHBondContact O-N 2.04Å; W13-R16 WeakPolarHBondContact O-CB 3.27Å; W13-R16 PolarHBondContact O-N 3.01Å; G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 3.27Å; R16-F19 PolarHBondContact O-N 3.11Å; R16-W20 HydrophobicContact CG-CD2 4.23Å; R16-W20 HydrophobicContact CG-CG 4.36Å; R16-W20 HydrophobicContact CG-CZ2 4.2Å; R16-W20 VanDerWaalsContact O-CB 3.32Å; R16-W20 WeakPolarHBondContact O-CB 3.31Å; R16-W20 VanDerWaalsContact O-CD1 3.29Å; R16-W20 PolarHBondContact O-N 3.23Å; R16-F40 HydrophobicContact CB-CD2 3.8Å; R16-F40 HydrophobicContact CB-CE2 3.53Å; R16-F40 HydrophobicContact CB-CZ 4.23Å; R16-F40 HydrophobicContact CG-CE2 3.92Å; R16-F40 HydrophobicContact CG-CZ 4.1Å; R16-F52 HydrophobicContact CG-CB 4.5Å; R16-F52 HydrophobicContact CG-CD2 4.45Å; R16-F52 HydrophobicContact CG-CG 4.41Å |
| 17 | D | 98 | Very high | 96.7 | Very high | 79 Ų | 79 | 72.8 Ų | 72.8 | 42% | 0.422 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | -174 | -67.6 | -12.8 | 0 | 0 | 0 | 111.4 | W13 G14 W20 Q21 | W13-D17 PolarHBondContact O-N 3.25Å; G14-D17 PolarHBondContact O-N 2.71Å; G14-D17 VanDerWaalsContact O-N 3.14Å; D17-W20 PolarHBondContact O-N 2.96Å; D17-Q21 VanDerWaalsContact O-CB 3.31Å; D17-Q21 WeakPolarHBondContact O-CB 3.25Å; D17-Q21 PolarHBondContact O-N 2.88Å |
| 18 | E | 98 | Very high | 96.6 | Very high | 106 Ų | 106 | 68.5 Ų | 68.5 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61 | -48 | 172.5 | -71.6 | 175.5 | -174.1 | 0 | 0 | 112.1 | G14 W20 Q21 C22 L36 | G14-E18 WeakPolarHBondContact O-CG 3.4Å; G14-E18 PolarHBondContact O-N 3.25Å; E18-W20 VanDerWaalsContact C-N 3.3Å; E18-W20 PolarHBondContact O-N 3.24Å; E18-Q21 PolarHBondContact O-N 3.34Å; E18-C22 PolarHBondContact O-N 3.44Å; E18-L36 HydrophobicContact CB-CD2 4.27Å |
| 19 | F | 98.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 4% | 0.044 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 176.4 | 173 | -122.6 | 0 | 0 | 0 | 111.2 | A15 R16 C22 L23 C33 L36 R37 F40 | A15-F19 WeakPolarHBondContact O-CB 3.38Å; A15-F19 PolarHBondContact O-N 3.02Å; R16-F19 PolarHBondContact O-N 3.11Å; F19-C22 WeakPolarHBondContact O-CB 3.46Å; F19-C22 PolarHBondContact O-N 3.02Å; F19-L23 HydrophobicContact CD1-CD1 4.32Å; F19-L23 HydrophobicContact CD2-CG 4.44Å; F19-L23 HydrophobicContact CE1-CD1 3.69Å; F19-L23 HydrophobicContact CE1-CG 4.48Å; F19-L23 HydrophobicContact CE2-CD1 4.02Å; F19-L23 HydrophobicContact CE2-CD2 4.13Å; F19-L23 HydrophobicContact CE2-CG 3.95Å; F19-L23 HydrophobicContact CZ-CD1 3.52Å; F19-L23 HydrophobicContact CZ-CD2 4.2Å; F19-L23 HydrophobicContact CZ-CG 3.98Å; F19-L23 PolarHBondContact O-N 3.48Å; F19-L23 VanDerWaalsContact O-N 3.08Å; F19-C33 HydrophobicContact CD2-CB 3.95Å; F19-C33 HydrophobicContact CE2-CB 3.8Å; F19-L36 HydrophobicContact CB-CB 4.1Å; F19-L36 HydrophobicContact CD2-CB 4.12Å; F19-R37 HydrophobicContact CD2-CB 4.06Å; F19-R37 HydrophobicContact CE2-CB 3.7Å; F19-R37 HydrophobicContact CE2-CG 4.39Å; F19-R37 HydrophobicContact CZ-CB 4.15Å; F19-R37 HydrophobicContact CZ-CG 4.35Å; F19-F40 HydrophobicContact CB-CB 4.34Å; F19-F40 AromaticContact CD1-CD1 3.83Å; F19-F40 HydrophobicContact CD1-CD1 3.83Å; F19-F40 HydrophobicContact CD1-CE1 4.36Å; F19-F40 HydrophobicContact CE1-CD1 4.36Å |
| 20 | W | 97.4 | Very high | 96.2 | Very high | 36 Ų | 36 | 63.9 Ų | 63.9 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.5 | -41.7 | -179.4 | -82 | 25.4 | 0 | 0 | 0 | 113 | R16 D17 E18 C22 L23 D24 F52 R56 L59 | R16-W20 HydrophobicContact CG-CD2 4.23Å; R16-W20 HydrophobicContact CG-CG 4.36Å; R16-W20 HydrophobicContact CG-CZ2 4.2Å; R16-W20 VanDerWaalsContact O-CB 3.32Å; R16-W20 WeakPolarHBondContact O-CB 3.31Å; R16-W20 VanDerWaalsContact O-CD1 3.29Å; R16-W20 PolarHBondContact O-N 3.23Å; D17-W20 PolarHBondContact O-N 2.96Å; E18-W20 VanDerWaalsContact C-N 3.3Å; E18-W20 PolarHBondContact O-N 3.24Å; W20-C22 VanDerWaalsContact C-N 3.27Å; W20-C22 PolarHBondContact O-N 3.4Å; W20-L23 PolarHBondContact O-N 3.04Å; W20-D24 VanDerWaalsContact O-CG 3.3Å; W20-D24 PolarHBondContact O-N 2.8Å; W20-F52 HydrophobicContact CZ2-CB 4.08Å; W20-F52 VanDerWaalsContact CZ2-O 3.25Å; W20-F52 WeakPolarHBondContact CZ2-O 3.25Å; W20-R56 HydrophobicContact CD2-CB 4.44Å; W20-R56 HydrophobicContact CD2-CG 4.16Å; W20-R56 HydrophobicContact CE3-CG 4.39Å; W20-R56 HydrophobicContact CH2-CB 3.85Å; W20-R56 HydrophobicContact CH2-CG 4.39Å; W20-R56 HydrophobicContact CZ2-CB 3.54Å; W20-R56 HydrophobicContact CZ2-CG 4.17Å; W20-R56 HydrophobicContact CZ3-CB 4.41Å; W20-R56 HydrophobicContact CZ3-CG 4.49Å; W20-R56 PolarHBondContact O-NH1 3.31Å; W20-R56 PolarHBondContact O-NH2 3.05Å; W20-L59 HydrophobicContact CH2-CD1 4.39Å; W20-L59 HydrophobicContact CZ3-CD1 4.09Å |
| 21 | Q | 97.4 | Very high | 96.1 | Very high | 105 Ų | 105 | 60 Ų | 60 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.2 | -36.4 | 175 | -169.4 | -171.6 | 25.3 | 0 | 0 | 111.3 | D17 E18 D24 K25 | D17-Q21 VanDerWaalsContact O-CB 3.31Å; D17-Q21 WeakPolarHBondContact O-CB 3.25Å; D17-Q21 PolarHBondContact O-N 2.88Å; E18-Q21 PolarHBondContact O-N 3.34Å; Q21-D24 PolarHBondContact O-N 3.46Å; Q21-K25 HydrophobicContact CG-CD 4.38Å; Q21-K25 WeakPolarHBondContact O-CB 3.49Å; Q21-K25 VanDerWaalsContact O-CG 3.31Å; Q21-K25 WeakPolarHBondContact O-CG 3.44Å; Q21-K25 PolarHBondContact O-N 3.13Å; Q21-K25 VanDerWaalsContact O-N 3.07Å |
| 22 | C | 98 | Very high | 96 | Very high | 19 Ų | 19 | 64.5 Ų | 64.5 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | E18 F19 W20 D24 K25 N26 C33 L36 | E18-C22 PolarHBondContact O-N 3.44Å; F19-C22 WeakPolarHBondContact O-CB 3.46Å; F19-C22 PolarHBondContact O-N 3.02Å; W20-C22 VanDerWaalsContact C-N 3.27Å; W20-C22 PolarHBondContact O-N 3.4Å; C22-D24 PolarHBondContact O-N 2.99Å; C22-K25 PolarHBondContact O-N 2.8Å; C22-N26 WeakPolarHBondContact O-CB 3.06Å; C22-N26 PolarHBondContact O-N 3.29Å; C22-N26 PolarHBondContact O-ND2 2.81Å; C22-C33 HydrophobicContact CB-CB 3.89Å; C22-C33 WeakPolarHBondContact CB-SG 3.4Å; C22-C33 VanDerWaalsContact SG-CA 3.56Å; C22-C33 WeakPolarHBondContact SG-CB 3.4Å; C22-C33 CovalentContact SG-SG 2.04Å; C22-C33 PolarHBondContact SG-SG 2.93Å; C22-L36 HydrophobicContact CB-CD1 3.47Å; C22-L36 VanDerWaalsContact CB-CD1 3.47Å |
| 23 | L | 97.1 | Very high | 96 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 177.4 | -71.3 | 176.8 | 0 | 0 | 0 | 111.8 | F19 W20 K25 N26 S27 E28 A30 C33 | F19-L23 HydrophobicContact CD1-CD1 4.32Å; F19-L23 HydrophobicContact CD2-CG 4.44Å; F19-L23 HydrophobicContact CE1-CD1 3.69Å; F19-L23 HydrophobicContact CE1-CG 4.48Å; F19-L23 HydrophobicContact CE2-CD1 4.02Å; F19-L23 HydrophobicContact CE2-CD2 4.13Å; F19-L23 HydrophobicContact CE2-CG 3.95Å; F19-L23 HydrophobicContact CZ-CD1 3.52Å; F19-L23 HydrophobicContact CZ-CD2 4.2Å; F19-L23 HydrophobicContact CZ-CG 3.98Å; F19-L23 PolarHBondContact O-N 3.48Å; F19-L23 VanDerWaalsContact O-N 3.08Å; W20-L23 PolarHBondContact O-N 3.04Å; L23-K25 VanDerWaalsContact C-N 3.31Å; L23-K25 PolarHBondContact O-N 3.17Å; L23-N26 CarbonylContact O-C 3.58Å; L23-N26 PolarHBondContact O-N 3.38Å; L23-N26 VanDerWaalsContact O-N 3.13Å; L23-S27 PolarHBondContact O-N 2.7Å; L23-E28 PolarHBondContact O-N 2.86Å; L23-A30 HydrophobicContact CD2-CB 4.03Å; L23-C33 HydrophobicContact CD2-CB 4.29Å |
| 24 | D | 95.6 | Very high | 96.1 | Very high | 104 Ų | 104 | 64 Ų | 64 | 56% | 0.556 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.6 | -42.2 | 177.6 | -66.9 | -18.9 | 0 | 0 | 0 | 111.5 | W20 Q21 C22 N26 R56 | W20-D24 VanDerWaalsContact O-CG 3.3Å; W20-D24 PolarHBondContact O-N 2.8Å; Q21-D24 PolarHBondContact O-N 3.46Å; C22-D24 PolarHBondContact O-N 2.99Å; D24-N26 VanDerWaalsContact C-N 3.31Å; D24-N26 PolarHBondContact O-N 3.27Å; D24-R56 IonicContact OD1-CZ 3.69Å; D24-R56 IonicContact OD1-NH1 3.25Å; D24-R56 IonicContact OD1-NH2 3.27Å; D24-R56 PolarHBondContact OD1-NH2 2.99Å |
| 25 | K | 96.8 | Very high | 96 | Very high | 147 Ų | 147 | 71.7 Ų | 71.7 | 64% | 0.639 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -69.9 | -25.6 | 178.1 | -74.1 | 174.1 | 179.4 | 172.9 | 0 | 113.6 | Q21 C22 L23 | Q21-K25 HydrophobicContact CG-CD 4.38Å; Q21-K25 WeakPolarHBondContact O-CB 3.49Å; Q21-K25 VanDerWaalsContact O-CG 3.31Å; Q21-K25 WeakPolarHBondContact O-CG 3.44Å; Q21-K25 PolarHBondContact O-N 3.13Å; Q21-K25 VanDerWaalsContact O-N 3.07Å; C22-K25 PolarHBondContact O-N 2.8Å; L23-K25 VanDerWaalsContact C-N 3.31Å; L23-K25 PolarHBondContact O-N 3.17Å |
| 26 | N | 95.8 | Very high | 96 | Very high | 50 Ų | 50 | 74 Ų | 74 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 22.2 | -174.3 | -70.3 | -81.1 | 0 | 0 | 0 | 112.8 | C22 L23 D24 E28 D29 K32 | C22-N26 WeakPolarHBondContact O-CB 3.06Å; C22-N26 PolarHBondContact O-N 3.29Å; C22-N26 PolarHBondContact O-ND2 2.81Å; L23-N26 CarbonylContact O-C 3.58Å; L23-N26 PolarHBondContact O-N 3.38Å; L23-N26 VanDerWaalsContact O-N 3.13Å; D24-N26 VanDerWaalsContact C-N 3.31Å; D24-N26 PolarHBondContact O-N 3.27Å; N26-E28 VanDerWaalsContact C-N 3.26Å; N26-E28 PolarHBondContact O-N 3.02Å; N26-D29 HydrophobicContact CB-CB 4.39Å; N26-D29 VanDerWaalsContact O-CB 3.25Å; N26-D29 WeakPolarHBondContact O-CB 3.06Å; N26-D29 PolarHBondContact O-N 3.17Å; N26-K32 HydrophobicContact CB-CB 4.41Å; N26-K32 HydrophobicContact CB-CD 4.13Å; N26-K32 VanDerWaalsContact OD1-CD 3.27Å; N26-K32 WeakPolarHBondContact OD1-CD 3.48Å |
| 27 | S | 93.1 | Very high | 96 | Very high | 114 Ų | 114 | 73.7 Ų | 73.7 | 80% | 0.797 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 42.6 | 178 | -53.8 | 0 | 0 | 0 | 0 | 113 | L23 D29 | L23-S27 PolarHBondContact O-N 2.7Å; S27-D29 VanDerWaalsContact C-N 3.25Å; S27-D29 PolarHBondContact O-N 3.17Å |
| 28 | E | 92.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 73.1 Ų | 73.1 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 14.1 | -179 | -50.8 | -63.6 | 123 | 0 | 0 | 115.8 | L23 N26 A30 R56 K60 | L23-E28 PolarHBondContact O-N 2.86Å; N26-E28 VanDerWaalsContact C-N 3.26Å; N26-E28 PolarHBondContact O-N 3.02Å; E28-A30 PolarHBondContact O-N 3.34Å; E28-R56 IonicContact OE1-CZ 2.7Å; E28-R56 IonicContact OE1-NH2 3.37Å; E28-R56 PolarHBondContact OE1-NH2 2.8Å; E28-R56 IonicContact OE2-CZ 2.71Å; E28-R56 IonicContact OE2-NE 2.81Å; E28-R56 PolarHBondContact OE2-NE 3.41Å; E28-R56 IonicContact OE2-NH2 3.11Å; E28-R56 PolarHBondContact OE2-NH2 3.46Å; E28-K60 VanDerWaalsContact CD-NZ 3.31Å; E28-K60 WeakPolarHBondContact OE2-CD 3.31Å; E28-K60 VanDerWaalsContact OE2-CE 3.25Å; E28-K60 WeakPolarHBondContact OE2-CE 3.32Å; E28-K60 IonicContact OE2-NZ 2.71Å; E28-K60 PolarHBondContact OE2-NZ 2.89Å |
| 29 | D | 92.4 | Very high | 95.9 | Very high | 56 Ų | 56 | 69.4 Ų | 69.4 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | trans | -73.9 | 93.7 | 174.1 | -174.8 | -4.2 | 0 | 0 | 0 | 111.6 | N26 S27 S31 K32 | N26-D29 HydrophobicContact CB-CB 4.39Å; N26-D29 VanDerWaalsContact O-CB 3.25Å; N26-D29 WeakPolarHBondContact O-CB 3.06Å; N26-D29 PolarHBondContact O-N 3.17Å; S27-D29 VanDerWaalsContact C-N 3.25Å; S27-D29 PolarHBondContact O-N 3.17Å; D29-S31 PolarHBondContact O-N 2.89Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.48Å; D29-S31 PolarHBondContact OD1-N 3.03Å; D29-S31 PolarHBondContact OD1-OG 3.42Å; D29-S31 PolarHBondContact OD2-OG 3.45Å; D29-K32 HydrophobicContact CB-CD 4.3Å; D29-K32 PolarHBondContact O-N 3.06Å; D29-K32 WeakPolarHBondContact OD2-CD 3.15Å; D29-K32 WeakPolarHBondContact OD2-CE 3.4Å; D29-K32 IonicContact OD2-NZ 3.54Å | ||
| 30 | A | 90.5 | Very high | 95.9 | Very high | 43 Ų | 43 | 69 Ų | 69 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L23 E28 K32 C33 Q34 | L23-A30 HydrophobicContact CD2-CB 4.03Å; E28-A30 PolarHBondContact O-N 3.34Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 2.92Å; A30-C33 PolarHBondContact O-N 3.43Å; A30-Q34 PolarHBondContact O-N 3.5Å; A30-Q34 PolarHBondContact O-NE2 3.2Å; A30-Q34 VanDerWaalsContact O-NE2 3.16Å |
| 31 | S | 94.3 | Very high | 95.8 | Very high | 82 Ų | 82 | 71.7 Ų | 71.7 | 57% | 0.573 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -34 | 178.5 | 75.8 | 0 | 0 | 0 | 0 | 111.6 | D29 C33 Q34 | D29-S31 PolarHBondContact O-N 2.89Å; D29-S31 VanDerWaalsContact OD1-CB 3.28Å; D29-S31 WeakPolarHBondContact OD1-CB 3.48Å; D29-S31 PolarHBondContact OD1-N 3.03Å; D29-S31 PolarHBondContact OD1-OG 3.42Å; D29-S31 PolarHBondContact OD2-OG 3.45Å; S31-C33 VanDerWaalsContact C-N 3.27Å; S31-C33 PolarHBondContact O-N 3.19Å; S31-Q34 VanDerWaalsContact O-CG 3.31Å; S31-Q34 WeakPolarHBondContact O-CG 3.49Å |
| 32 | K | 95.2 | Very high | 95.8 | Very high | 133 Ų | 133 | 71.1 Ų | 71.1 | 58% | 0.578 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -18.1 | 177.4 | -66.2 | 177.5 | -177.1 | 164.3 | 0 | 113.2 | N26 D29 A30 | N26-K32 HydrophobicContact CB-CB 4.41Å; N26-K32 HydrophobicContact CB-CD 4.13Å; N26-K32 VanDerWaalsContact OD1-CD 3.27Å; N26-K32 WeakPolarHBondContact OD1-CD 3.48Å; D29-K32 HydrophobicContact CB-CD 4.3Å; D29-K32 PolarHBondContact O-N 3.06Å; D29-K32 WeakPolarHBondContact OD2-CD 3.15Å; D29-K32 WeakPolarHBondContact OD2-CE 3.4Å; D29-K32 IonicContact OD2-NZ 3.54Å; A30-K32 VanDerWaalsContact C-N 3.29Å; A30-K32 PolarHBondContact O-N 2.92Å |
| 33 | C | 97.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 12.9 | -175.2 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | F19 C22 L23 A30 S31 K35 L36 R37 | F19-C33 HydrophobicContact CD2-CB 3.95Å; F19-C33 HydrophobicContact CE2-CB 3.8Å; C22-C33 HydrophobicContact CB-CB 3.89Å; C22-C33 WeakPolarHBondContact CB-SG 3.4Å; C22-C33 VanDerWaalsContact SG-CA 3.56Å; C22-C33 WeakPolarHBondContact SG-CB 3.4Å; C22-C33 CovalentContact SG-SG 2.04Å; C22-C33 PolarHBondContact SG-SG 2.93Å; L23-C33 HydrophobicContact CD2-CB 4.29Å; A30-C33 PolarHBondContact O-N 3.43Å; S31-C33 VanDerWaalsContact C-N 3.27Å; S31-C33 PolarHBondContact O-N 3.19Å; C33-K35 VanDerWaalsContact C-N 3.33Å; C33-K35 PolarHBondContact O-N 3.42Å; C33-L36 PolarHBondContact O-N 3.15Å; C33-R37 PolarHBondContact O-N 3.32Å |
| 34 | Q | 97.1 | Very high | 95.6 | Very high | 105 Ų | 105 | 77 Ų | 77 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -54.1 | -42.6 | -175.5 | -74.9 | -65.9 | -44.1 | 0 | 0 | 113.8 | A30 S31 L36 R37 S38 | A30-Q34 PolarHBondContact O-N 3.5Å; A30-Q34 PolarHBondContact O-NE2 3.2Å; A30-Q34 VanDerWaalsContact O-NE2 3.16Å; S31-Q34 VanDerWaalsContact O-CG 3.31Å; S31-Q34 WeakPolarHBondContact O-CG 3.49Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 2.91Å; Q34-R37 WeakPolarHBondContact O-CB 3.49Å; Q34-R37 PolarHBondContact O-N 3.38Å; Q34-R37 VanDerWaalsContact O-N 3.15Å; Q34-S38 PolarHBondContact O-N 2.79Å; Q34-S38 PolarHBondContact O-OG 3.3Å |
| 35 | K | 96.9 | Very high | 95.6 | Very high | 192 Ų | 192 | 74.4 Ų | 74.4 | 84% | 0.835 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.5 | -42.4 | 178.1 | -67.2 | -178.5 | 179.9 | 178.9 | 0 | 112.2 | C33 S38 S39 | C33-K35 VanDerWaalsContact C-N 3.33Å; C33-K35 PolarHBondContact O-N 3.42Å; K35-S38 PolarHBondContact O-N 3.44Å; K35-S39 PolarHBondContact O-N 2.9Å; K35-S39 VanDerWaalsContact O-N 3.13Å |
| 36 | L | 97.2 | Very high | 95.4 | Very high | 52 Ų | 52 | 74.1 Ų | 74.1 | 27% | 0.272 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.4 | -33.3 | 177.5 | -65.5 | 172.6 | 0 | 0 | 0 | 111.1 | E18 F19 C22 C33 Q34 S39 F40 | E18-L36 HydrophobicContact CB-CD2 4.27Å; F19-L36 HydrophobicContact CB-CB 4.1Å; F19-L36 HydrophobicContact CD2-CB 4.12Å; C22-L36 HydrophobicContact CB-CD1 3.47Å; C22-L36 VanDerWaalsContact CB-CD1 3.47Å; C33-L36 PolarHBondContact O-N 3.15Å; Q34-L36 VanDerWaalsContact C-N 3.32Å; Q34-L36 PolarHBondContact O-N 2.91Å; L36-S39 PolarHBondContact O-N 2.88Å; L36-F40 WeakPolarHBondContact O-CB 3.45Å; L36-F40 PolarHBondContact O-N 2.89Å |
| 37 | R | 97.4 | Very high | 95.4 | Very high | 38 Ų | 38 | 78 Ų | 78 | 14% | 0.143 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 172.2 | -180 | 57.7 | -175.6 | -172.1 | 2.6 | 111.5 | F19 C33 Q34 S39 F40 E41 V49 D53 | F19-R37 HydrophobicContact CD2-CB 4.06Å; F19-R37 HydrophobicContact CE2-CB 3.7Å; F19-R37 HydrophobicContact CE2-CG 4.39Å; F19-R37 HydrophobicContact CZ-CB 4.15Å; F19-R37 HydrophobicContact CZ-CG 4.35Å; C33-R37 PolarHBondContact O-N 3.32Å; Q34-R37 WeakPolarHBondContact O-CB 3.49Å; Q34-R37 PolarHBondContact O-N 3.38Å; Q34-R37 VanDerWaalsContact O-N 3.15Å; R37-S39 VanDerWaalsContact C-N 3.32Å; R37-S39 PolarHBondContact O-N 2.9Å; R37-F40 WeakPolarHBondContact O-CB 3.37Å; R37-F40 PolarHBondContact O-N 3.15Å; R37-E41 IonicContact CZ-OE1 2.86Å; R37-E41 VanDerWaalsContact NE-CD 3.31Å; R37-E41 IonicContact NE-OE1 3.86Å; R37-E41 PolarHBondContact NE-OE1 3.08Å; R37-E41 IonicContact NH2-OE1 3.02Å; R37-E41 PolarHBondContact NH2-OE1 3.24Å; R37-E41 WeakPolarHBondContact O-CG 3.35Å; R37-E41 PolarHBondContact O-N 2.94Å; R37-V49 VanDerWaalsContact NH2-CG1 3.27Å; R37-D53 IonicContact CZ-OD1 3.66Å; R37-D53 IonicContact CZ-OD2 2.8Å; R37-D53 VanDerWaalsContact NH1-CG 3.31Å; R37-D53 IonicContact NH1-OD1 3.56Å; R37-D53 PolarHBondContact NH1-OD1 3.19Å; R37-D53 IonicContact NH1-OD2 2.68Å; R37-D53 PolarHBondContact NH1-OD2 2.84Å; R37-D53 IonicContact NH2-OD2 3.55Å; R37-D53 PolarHBondContact NH2-OD2 2.81Å |
| 38 | S | 97.4 | Very high | 95.5 | Very high | 67 Ų | 67 | 76.2 Ų | 76.2 | 47% | 0.469 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.1 | -37.7 | 177.5 | -52.9 | 0 | 0 | 0 | 0 | 112.3 | Q34 K35 S42 | Q34-S38 PolarHBondContact O-N 2.79Å; Q34-S38 PolarHBondContact O-OG 3.3Å; K35-S38 PolarHBondContact O-N 3.44Å; S38-S42 WeakPolarHBondContact O-CB 3.28Å; S38-S42 PolarHBondContact O-N 3.26Å; S38-S42 PolarHBondContact O-OG 3.42Å |
| 39 | S | 96.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 73.5 Ų | 73.5 | 20% | 0.203 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 173.4 | -173 | 0 | 0 | 0 | 0 | 111.8 | K35 L36 R37 S42 R43 | K35-S39 PolarHBondContact O-N 2.9Å; K35-S39 VanDerWaalsContact O-N 3.13Å; L36-S39 PolarHBondContact O-N 2.88Å; R37-S39 VanDerWaalsContact C-N 3.32Å; R37-S39 PolarHBondContact O-N 2.9Å; S39-S42 WeakPolarHBondContact CA-OG 3.4Å; S39-S42 PolarHBondContact O-OG 3.03Å; S39-R43 WeakPolarHBondContact O-CB 3.4Å; S39-R43 WeakPolarHBondContact O-CD 3.25Å; S39-R43 VanDerWaalsContact O-CG 3.27Å; S39-R43 WeakPolarHBondContact O-CG 3.4Å; S39-R43 PolarHBondContact O-N 2.99Å; S39-R43 VanDerWaalsContact O-N 3.1Å; S39-R43 PolarHBondContact OG-NE 3.44Å |
| 40 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 176.7 | 172.5 | -133.3 | 0 | 0 | 0 | 112.2 | A15 R16 F19 L36 R37 S42 R43 C44 V49 F52 | A15-F40 HydrophobicContact CB-CB 4.41Å; R16-F40 HydrophobicContact CB-CD2 3.8Å; R16-F40 HydrophobicContact CB-CE2 3.53Å; R16-F40 HydrophobicContact CB-CZ 4.23Å; R16-F40 HydrophobicContact CG-CE2 3.92Å; R16-F40 HydrophobicContact CG-CZ 4.1Å; F19-F40 HydrophobicContact CB-CB 4.34Å; F19-F40 AromaticContact CD1-CD1 3.83Å; F19-F40 HydrophobicContact CD1-CD1 3.83Å; F19-F40 HydrophobicContact CD1-CE1 4.36Å; F19-F40 HydrophobicContact CE1-CD1 4.36Å; L36-F40 WeakPolarHBondContact O-CB 3.45Å; L36-F40 PolarHBondContact O-N 2.89Å; R37-F40 WeakPolarHBondContact O-CB 3.37Å; R37-F40 PolarHBondContact O-N 3.15Å; F40-S42 VanDerWaalsContact C-N 3.35Å; F40-S42 PolarHBondContact O-N 2.68Å; F40-R43 PolarHBondContact O-N 3.48Å; F40-C44 HydrophobicContact CD2-CB 4.23Å; F40-C44 WeakPolarHBondContact CD2-SG 3.31Å; F40-C44 HydrophobicContact CE2-CB 4.06Å; F40-C44 WeakPolarHBondContact CE2-SG 3.49Å; F40-C44 VanDerWaalsContact O-CB 3.25Å; F40-C44 WeakPolarHBondContact O-CB 3.48Å; F40-C44 PolarHBondContact O-N 3.25Å; F40-C44 VanDerWaalsContact O-N 3.1Å; F40-C44 PolarHBondContact O-SG 3.06Å; F40-V49 HydrophobicContact CD1-CG1 4.45Å; F40-V49 HydrophobicContact CE1-CB 4.37Å; F40-V49 HydrophobicContact CE1-CG1 3.86Å; F40-V49 HydrophobicContact CE1-CG2 4.32Å; F40-V49 HydrophobicContact CE2-CG2 4.35Å; F40-V49 HydrophobicContact CZ-CB 4.3Å; F40-V49 HydrophobicContact CZ-CG1 4.27Å; F40-V49 HydrophobicContact CZ-CG2 4.11Å; F40-F52 AromaticContact CE2-CD2 3.99Å; F40-F52 HydrophobicContact CE2-CD2 3.99Å; F40-F52 HydrophobicContact CZ-CB 3.95Å; F40-F52 AromaticContact CZ-CD2 3.89Å; F40-F52 HydrophobicContact CZ-CD2 3.89Å; F40-F52 HydrophobicContact CZ-CG 4.39Å |
| 41 | E | 96.8 | Very high | 96.2 | Very high | 94 Ų | 94 | 80.4 Ų | 80.4 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.8 | -32.9 | 179.7 | -72.7 | -178.6 | 165.7 | 0 | 0 | 113.6 | R37 V49 | R37-E41 IonicContact CZ-OE1 2.86Å; R37-E41 VanDerWaalsContact NE-CD 3.31Å; R37-E41 IonicContact NE-OE1 3.86Å; R37-E41 PolarHBondContact NE-OE1 3.08Å; R37-E41 IonicContact NH2-OE1 3.02Å; R37-E41 PolarHBondContact NH2-OE1 3.24Å; R37-E41 WeakPolarHBondContact O-CG 3.35Å; R37-E41 PolarHBondContact O-N 2.94Å; E41-V49 HydrophobicContact CG-CG1 4.19Å |
| 42 | S | 96.3 | Very high | 96.4 | Very high | 93 Ų | 93 | 77.1 Ų | 77.1 | 65% | 0.65 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -77.5 | -30.7 | 178.3 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | S38 S39 F40 | S38-S42 WeakPolarHBondContact O-CB 3.28Å; S38-S42 PolarHBondContact O-N 3.26Å; S38-S42 PolarHBondContact O-OG 3.42Å; S39-S42 WeakPolarHBondContact CA-OG 3.4Å; S39-S42 PolarHBondContact O-OG 3.03Å; F40-S42 VanDerWaalsContact C-N 3.35Å; F40-S42 PolarHBondContact O-N 2.68Å |
| 43 | R | 95.7 | Very high | 96.4 | Very high | 142 Ų | 142 | 72.9 Ų | 72.9 | 54% | 0.536 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -90.2 | -17.2 | -178.1 | -68.6 | 170.2 | -176.7 | -98.7 | 0.9 | 113.6 | A15 S39 F40 | A15-R43 HydrophobicContact CB-CB 4.4Å; S39-R43 WeakPolarHBondContact O-CB 3.4Å; S39-R43 WeakPolarHBondContact O-CD 3.25Å; S39-R43 VanDerWaalsContact O-CG 3.27Å; S39-R43 WeakPolarHBondContact O-CG 3.4Å; S39-R43 PolarHBondContact O-N 2.99Å; S39-R43 VanDerWaalsContact O-N 3.1Å; S39-R43 PolarHBondContact OG-NE 3.44Å; F40-R43 PolarHBondContact O-N 3.48Å |
| 44 | C | 95.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 80.4 Ų | 80.4 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -111.4 | 143.1 | -176.1 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | C12 F40 Q46 V49 | C12-C44 VanDerWaalsContact C-SG 3.57Å; C12-C44 WeakPolarHBondContact CA-SG 3.39Å; C12-C44 HydrophobicContact CB-CB 4.06Å; C12-C44 WeakPolarHBondContact CB-SG 3.4Å; C12-C44 PolarHBondContact O-SG 3.28Å; C12-C44 VanDerWaalsContact O-SG 3.36Å; C12-C44 VanDerWaalsContact SG-CA 3.57Å; C12-C44 WeakPolarHBondContact SG-CB 3.37Å; C12-C44 CovalentContact SG-SG 2.02Å; C12-C44 PolarHBondContact SG-SG 2.93Å; F40-C44 HydrophobicContact CD2-CB 4.23Å; F40-C44 WeakPolarHBondContact CD2-SG 3.31Å; F40-C44 HydrophobicContact CE2-CB 4.06Å; F40-C44 WeakPolarHBondContact CE2-SG 3.49Å; F40-C44 VanDerWaalsContact O-CB 3.25Å; F40-C44 WeakPolarHBondContact O-CB 3.48Å; F40-C44 PolarHBondContact O-N 3.25Å; F40-C44 VanDerWaalsContact O-N 3.1Å; F40-C44 PolarHBondContact O-SG 3.06Å; C44-Q46 PolarHBondContact O-N 3.07Å; C44-V49 HydrophobicContact CB-CG2 3.59Å |
| 45 | P | 95.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 81 Ų | 81 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | trans | -55.2 | 137.4 | 165.9 | -23.7 | 33.6 | 0 | 0 | 0 | 111 | P4 Q47 W48 V49 | P4-P45 HydrophobicContact CG-CG 4.32Å; P45-Q47 PolarHBondContact O-N 3.42Å; P45-Q47 VanDerWaalsContact O-N 3.08Å; P45-W48 HydrophobicContact CB-CB 4.42Å; P45-W48 HydrophobicContact CB-CG 4.23Å; P45-W48 HydrophobicContact CG-CD2 4.22Å; P45-W48 HydrophobicContact CG-CG 4.29Å; P45-W48 WeakPolarHBondContact O-CA 3.43Å; P45-W48 WeakPolarHBondContact O-CB 3.34Å; P45-W48 PolarHBondContact O-N 3.06Å; P45-V49 PolarHBondContact O-N 3.02Å | ||
| 46 | Q | 93.5 | Very high | 96.4 | Very high | 141 Ų | 141 | 72.6 Ų | 72.6 | 66% | 0.659 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -56 | -33.8 | -176.5 | -66.9 | -177.9 | 32.3 | 0 | 0 | 113.5 | C44 W48 V49 K50 | C44-Q46 PolarHBondContact O-N 3.07Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.47Å; Q46-V49 PolarHBondContact O-N 3.48Å; Q46-K50 WeakPolarHBondContact O-CG 3.36Å; Q46-K50 PolarHBondContact O-N 2.86Å |
| 47 | Q | 94.5 | Very high | 96.3 | Very high | 132 Ų | 132 | 74.7 Ų | 74.7 | 62% | 0.617 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.5 | -36.1 | 176.4 | -61.8 | -57.4 | -36.2 | 0 | 0 | 112 | P45 Y51 | P45-Q47 PolarHBondContact O-N 3.42Å; P45-Q47 VanDerWaalsContact O-N 3.08Å; Q47-Y51 WeakPolarHBondContact O-CB 3.25Å; Q47-Y51 PolarHBondContact O-N 3.06Å |
| 48 | W | 96 | Very high | 96.2 | Very high | 76 Ų | 76 | 79.5 Ų | 79.5 | 29% | 0.288 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.8 | -40.7 | 176.7 | -72.4 | 17.1 | 0 | 0 | 0 | 111.3 | P4 R9 W13 P45 Q46 K50 Y51 F52 | P4-W48 HydrophobicContact CG-CH2 4.21Å; P4-W48 HydrophobicContact CG-CZ2 4.26Å; R9-W48 HydrophobicContact CB-CH2 4.39Å; R9-W48 HydrophobicContact CB-CZ3 4.3Å; R9-W48 HydrophobicContact CG-CH2 3.52Å; R9-W48 HydrophobicContact CG-CZ3 3.81Å; W13-W48 AromaticContact NE1-CZ3 3.55Å; P45-W48 HydrophobicContact CB-CB 4.42Å; P45-W48 HydrophobicContact CB-CG 4.23Å; P45-W48 HydrophobicContact CG-CD2 4.22Å; P45-W48 HydrophobicContact CG-CG 4.29Å; P45-W48 WeakPolarHBondContact O-CA 3.43Å; P45-W48 WeakPolarHBondContact O-CB 3.34Å; P45-W48 PolarHBondContact O-N 3.06Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.47Å; W48-K50 PolarHBondContact O-N 3.08Å; W48-Y51 PolarHBondContact O-N 3.03Å; W48-F52 HydrophobicContact CB-CD2 4.2Å; W48-F52 HydrophobicContact CB-CE2 3.88Å; W48-F52 HydrophobicContact CE3-CE2 4.19Å; W48-F52 HydrophobicContact CE3-CZ 4.45Å; W48-F52 WeakPolarHBondContact O-CB 3.28Å; W48-F52 WeakPolarHBondContact O-CD2 3.38Å; W48-F52 VanDerWaalsContact O-CG 3.28Å; W48-F52 WeakPolarHBondContact O-CG 3.4Å; W48-F52 PolarHBondContact O-N 3.33Å |
| 49 | V | 96.7 | Very high | 96 | Very high | 9 Ų | 9 | 79.7 Ų | 79.7 | 6% | 0.055 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.4 | -53.1 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | R37 F40 E41 C44 P45 Q46 Y51 F52 D53 | R37-V49 VanDerWaalsContact NH2-CG1 3.27Å; F40-V49 HydrophobicContact CD1-CG1 4.45Å; F40-V49 HydrophobicContact CE1-CB 4.37Å; F40-V49 HydrophobicContact CE1-CG1 3.86Å; F40-V49 HydrophobicContact CE1-CG2 4.32Å; F40-V49 HydrophobicContact CE2-CG2 4.35Å; F40-V49 HydrophobicContact CZ-CB 4.3Å; F40-V49 HydrophobicContact CZ-CG1 4.27Å; F40-V49 HydrophobicContact CZ-CG2 4.11Å; E41-V49 HydrophobicContact CG-CG1 4.19Å; C44-V49 HydrophobicContact CB-CG2 3.59Å; P45-V49 PolarHBondContact O-N 3.02Å; Q46-V49 PolarHBondContact O-N 3.48Å; V49-Y51 VanDerWaalsContact C-N 3.32Å; V49-Y51 PolarHBondContact O-N 3.21Å; V49-F52 PolarHBondContact O-N 3.48Å; V49-D53 VanDerWaalsContact O-CG 3.29Å; V49-D53 PolarHBondContact O-N 3.45Å |
| 50 | K | 96.7 | Very high | 95.9 | Very high | 117 Ų | 117 | 81.7 Ų | 81.7 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.1 | -43 | 177.3 | -71.1 | 177.6 | -177 | -178.7 | 0 | 112.7 | Q46 W48 K54 | Q46-K50 WeakPolarHBondContact O-CG 3.36Å; Q46-K50 PolarHBondContact O-N 2.86Å; W48-K50 PolarHBondContact O-N 3.08Å; K50-K54 WeakPolarHBondContact O-CG 3.45Å; K50-K54 PolarHBondContact O-N 3.4Å |
| 51 | Y | 96.8 | Very high | 95.6 | Very high | 126 Ų | 126 | 88.1 Ų | 88.1 | 49% | 0.494 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.7 | 170.1 | -104 | 0 | 0 | 0 | 111.9 | Q47 W48 V49 K54 R55 | Q47-Y51 WeakPolarHBondContact O-CB 3.25Å; Q47-Y51 PolarHBondContact O-N 3.06Å; W48-Y51 PolarHBondContact O-N 3.03Å; V49-Y51 VanDerWaalsContact C-N 3.32Å; V49-Y51 PolarHBondContact O-N 3.21Å; Y51-K54 PolarHBondContact O-N 2.83Å; Y51-R55 WeakPolarHBondContact O-CB 3.05Å; Y51-R55 PolarHBondContact O-N 2.95Å; Y51-R55 PolarHBondContact OH-NH1 3.34Å |
| 52 | F | 97.7 | Very high | 95.4 | Very high | 14 Ų | 14 | 87.6 Ų | 87.6 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | -179.6 | -69.3 | -43.8 | 0 | 0 | 0 | 111.7 | W13 R16 W20 F40 W48 V49 K54 R55 R56 | W13-F52 AromaticContact CD1-CZ 3.79Å; W13-F52 AromaticContact NE1-CZ 3.66Å; R16-F52 HydrophobicContact CG-CB 4.5Å; R16-F52 HydrophobicContact CG-CD2 4.45Å; R16-F52 HydrophobicContact CG-CG 4.41Å; W20-F52 HydrophobicContact CZ2-CB 4.08Å; W20-F52 VanDerWaalsContact CZ2-O 3.25Å; W20-F52 WeakPolarHBondContact CZ2-O 3.25Å; F40-F52 AromaticContact CE2-CD2 3.99Å; F40-F52 HydrophobicContact CE2-CD2 3.99Å; F40-F52 HydrophobicContact CZ-CB 3.95Å; F40-F52 AromaticContact CZ-CD2 3.89Å; F40-F52 HydrophobicContact CZ-CD2 3.89Å; F40-F52 HydrophobicContact CZ-CG 4.39Å; W48-F52 HydrophobicContact CB-CD2 4.2Å; W48-F52 HydrophobicContact CB-CE2 3.88Å; W48-F52 HydrophobicContact CE3-CE2 4.19Å; W48-F52 HydrophobicContact CE3-CZ 4.45Å; W48-F52 WeakPolarHBondContact O-CB 3.28Å; W48-F52 WeakPolarHBondContact O-CD2 3.38Å; W48-F52 VanDerWaalsContact O-CG 3.28Å; W48-F52 WeakPolarHBondContact O-CG 3.4Å; W48-F52 PolarHBondContact O-N 3.33Å; V49-F52 PolarHBondContact O-N 3.48Å; F52-K54 VanDerWaalsContact C-N 3.35Å; F52-K54 PolarHBondContact O-N 3Å; F52-R55 CarbonylContact O-C 3.32Å; F52-R55 WeakPolarHBondContact O-CA 3.43Å; F52-R55 WeakPolarHBondContact O-CB 3.49Å; F52-R55 PolarHBondContact O-N 3.38Å; F52-R56 PolarHBondContact O-N 3.01Å |
| 53 | D | 96.1 | Very high | 95.1 | Very high | 43 Ų | 43 | 89.9 Ų | 89.9 | 23% | 0.23 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -56.3 | -49.8 | 176.2 | -68.8 | -18.4 | 0 | 0 | 0 | 110.7 | R37 V49 R55 R56 D57 | R37-D53 IonicContact CZ-OD1 3.66Å; R37-D53 IonicContact CZ-OD2 2.8Å; R37-D53 VanDerWaalsContact NH1-CG 3.31Å; R37-D53 IonicContact NH1-OD1 3.56Å; R37-D53 PolarHBondContact NH1-OD1 3.19Å; R37-D53 IonicContact NH1-OD2 2.68Å; R37-D53 PolarHBondContact NH1-OD2 2.84Å; R37-D53 IonicContact NH2-OD2 3.55Å; R37-D53 PolarHBondContact NH2-OD2 2.81Å; V49-D53 VanDerWaalsContact O-CG 3.29Å; V49-D53 PolarHBondContact O-N 3.45Å; D53-R55 VanDerWaalsContact C-N 3.32Å; D53-R55 PolarHBondContact O-N 3.1Å; D53-R56 WeakPolarHBondContact O-CB 3.49Å; D53-R56 PolarHBondContact O-N 3.43Å; D53-D57 PolarHBondContact O-N 3.46Å |
| 54 | K | 96.9 | Very high | 94.8 | Very high | 160 Ų | 160 | 88.9 Ų | 88.9 | 70% | 0.696 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -59.2 | -40.6 | 174 | -70.5 | -179.7 | 179.6 | -172.8 | 0 | 112.9 | K50 Y51 F52 R56 D57 Y58 | K50-K54 WeakPolarHBondContact O-CG 3.45Å; K50-K54 PolarHBondContact O-N 3.4Å; Y51-K54 PolarHBondContact O-N 2.83Å; F52-K54 VanDerWaalsContact C-N 3.35Å; F52-K54 PolarHBondContact O-N 3Å; K54-R56 VanDerWaalsContact C-N 3.34Å; K54-D57 PolarHBondContact O-N 3.13Å; K54-Y58 PolarHBondContact O-N 2.85Å |
| 55 | R | 96.9 | Very high | 94.5 | Very high | 117 Ų | 117 | 91.2 Ų | 91.2 | 44% | 0.442 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 178.6 | -175.8 | 176.1 | 178.8 | 93 | 1.9 | 111.3 | Y51 F52 D53 Y58 L59 | Y51-R55 WeakPolarHBondContact O-CB 3.05Å; Y51-R55 PolarHBondContact O-N 2.95Å; Y51-R55 PolarHBondContact OH-NH1 3.34Å; F52-R55 CarbonylContact O-C 3.32Å; F52-R55 WeakPolarHBondContact O-CA 3.43Å; F52-R55 WeakPolarHBondContact O-CB 3.49Å; F52-R55 PolarHBondContact O-N 3.38Å; D53-R55 VanDerWaalsContact C-N 3.32Å; D53-R55 PolarHBondContact O-N 3.1Å; R55-Y58 PolarHBondContact O-N 3.14Å; R55-L59 HydrophobicContact CG-CD1 4.12Å; R55-L59 HydrophobicContact CG-CG 4.43Å; R55-L59 WeakPolarHBondContact O-CB 3.45Å; R55-L59 VanDerWaalsContact O-CG 3.25Å; R55-L59 WeakPolarHBondContact O-CG 3.36Å; R55-L59 PolarHBondContact O-N 3.37Å |
| 56 | R | 96 | Very high | 94.2 | Very high | 15 Ų | 15 | 95.1 Ų | 95.1 | 6% | 0.057 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 176.4 | -168.4 | -174.9 | 168.8 | 86.6 | 7.4 | 110.7 | W20 D24 E28 F52 D53 K54 Y58 L59 K60 | W20-R56 HydrophobicContact CD2-CB 4.44Å; W20-R56 HydrophobicContact CD2-CG 4.16Å; W20-R56 HydrophobicContact CE3-CG 4.39Å; W20-R56 HydrophobicContact CH2-CB 3.85Å; W20-R56 HydrophobicContact CH2-CG 4.39Å; W20-R56 HydrophobicContact CZ2-CB 3.54Å; W20-R56 HydrophobicContact CZ2-CG 4.17Å; W20-R56 HydrophobicContact CZ3-CB 4.41Å; W20-R56 HydrophobicContact CZ3-CG 4.49Å; W20-R56 PolarHBondContact O-NH1 3.31Å; W20-R56 PolarHBondContact O-NH2 3.05Å; D24-R56 IonicContact OD1-CZ 3.69Å; D24-R56 IonicContact OD1-NH1 3.25Å; D24-R56 IonicContact OD1-NH2 3.27Å; D24-R56 PolarHBondContact OD1-NH2 2.99Å; E28-R56 IonicContact OE1-CZ 2.7Å; E28-R56 IonicContact OE1-NH2 3.37Å; E28-R56 PolarHBondContact OE1-NH2 2.8Å; E28-R56 IonicContact OE2-CZ 2.71Å; E28-R56 IonicContact OE2-NE 2.81Å; E28-R56 PolarHBondContact OE2-NE 3.41Å; E28-R56 IonicContact OE2-NH2 3.11Å; E28-R56 PolarHBondContact OE2-NH2 3.46Å; F52-R56 PolarHBondContact O-N 3.01Å; D53-R56 WeakPolarHBondContact O-CB 3.49Å; D53-R56 PolarHBondContact O-N 3.43Å; K54-R56 VanDerWaalsContact C-N 3.34Å; R56-Y58 VanDerWaalsContact C-N 3.32Å; R56-Y58 PolarHBondContact O-N 2.98Å; R56-L59 PolarHBondContact O-N 2.84Å; R56-L59 VanDerWaalsContact O-N 3.15Å; R56-K60 HydrophobicContact CG-CD 4.2Å; R56-K60 WeakPolarHBondContact O-CG 3.27Å; R56-K60 PolarHBondContact O-N 3.44Å |
| 57 | D | 94.8 | Very high | 94 | Very high | 96 Ų | 96 | 93.2 Ų | 93.2 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 179 | -70.1 | -24.9 | 0 | 0 | 0 | 111.7 | D53 K54 L59 K60 Y61 | D53-D57 PolarHBondContact O-N 3.46Å; K54-D57 PolarHBondContact O-N 3.13Å; D57-L59 PolarHBondContact O-N 3.42Å; D57-K60 PolarHBondContact O-N 2.02Å; D57-Y61 WeakPolarHBondContact O-CB 3.04Å; D57-Y61 PolarHBondContact O-N 3.37Å |
| 58 | Y | 95.5 | Very high | 93.5 | Very high | 139 Ų | 139 | 93 Ų | 93 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 174 | 171.8 | -104.6 | 0 | 0 | 0 | 112.3 | K54 R55 R56 K60 Y61 K62 | K54-Y58 PolarHBondContact O-N 2.85Å; R55-Y58 PolarHBondContact O-N 3.14Å; R56-Y58 VanDerWaalsContact C-N 3.32Å; R56-Y58 PolarHBondContact O-N 2.98Å; Y58-K60 VanDerWaalsContact C-N 3.32Å; Y58-K60 PolarHBondContact O-N 3.36Å; Y58-Y61 PolarHBondContact O-N 3.05Å; Y58-K62 HydrophobicContact CE1-CD 4.32Å; Y58-K62 VanDerWaalsContact O-CB 3.28Å; Y58-K62 WeakPolarHBondContact O-CB 3.39Å; Y58-K62 PolarHBondContact O-N 3.33Å |
| 59 | L | 94.8 | Very high | 92.5 | Very high | 71 Ų | 71 | 91 Ų | 91 | 37% | 0.372 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 178.7 | -72.1 | 171.5 | 0 | 0 | 0 | 112 | W20 R55 R56 D57 K63 | W20-L59 HydrophobicContact CH2-CD1 4.39Å; W20-L59 HydrophobicContact CZ3-CD1 4.09Å; R55-L59 HydrophobicContact CG-CD1 4.12Å; R55-L59 HydrophobicContact CG-CG 4.43Å; R55-L59 WeakPolarHBondContact O-CB 3.45Å; R55-L59 VanDerWaalsContact O-CG 3.25Å; R55-L59 WeakPolarHBondContact O-CG 3.36Å; R55-L59 PolarHBondContact O-N 3.37Å; R56-L59 PolarHBondContact O-N 2.84Å; R56-L59 VanDerWaalsContact O-N 3.15Å; D57-L59 PolarHBondContact O-N 3.42Å; L59-K63 WeakPolarHBondContact O-CB 2.78Å; L59-K63 PolarHBondContact O-N 3.1Å |
| 60 | K | 92.7 | Very high | 91.3 | Very high | 72 Ų | 72 | 98.4 Ų | 98.4 | 31% | 0.313 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 173.6 | -73.1 | 168.1 | 60.5 | -176.7 | 0 | 111.4 | E28 R56 D57 Y58 K63 K64 | E28-K60 VanDerWaalsContact CD-NZ 3.31Å; E28-K60 WeakPolarHBondContact OE2-CD 3.31Å; E28-K60 VanDerWaalsContact OE2-CE 3.25Å; E28-K60 WeakPolarHBondContact OE2-CE 3.32Å; E28-K60 IonicContact OE2-NZ 2.71Å; E28-K60 PolarHBondContact OE2-NZ 2.89Å; R56-K60 HydrophobicContact CG-CD 4.2Å; R56-K60 WeakPolarHBondContact O-CG 3.27Å; R56-K60 PolarHBondContact O-N 3.44Å; D57-K60 PolarHBondContact O-N 2.02Å; Y58-K60 VanDerWaalsContact C-N 3.32Å; Y58-K60 PolarHBondContact O-N 3.36Å; K60-K63 PolarHBondContact O-N 3.25Å; K60-K64 WeakPolarHBondContact O-CG 3.31Å; K60-K64 PolarHBondContact O-N 3.19Å |
| 61 | Y | 91.4 | Very high | 89.8 | Confident | 134 Ų | 134 | 98.8 Ų | 98.8 | 53% | 0.525 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.2 | -47.8 | 176.7 | 174.8 | -108 | 0 | 0 | 0 | 111.7 | D57 Y58 K63 K64 L65 | D57-Y61 WeakPolarHBondContact O-CB 3.04Å; D57-Y61 PolarHBondContact O-N 3.37Å; Y58-Y61 PolarHBondContact O-N 3.05Å; Y61-K63 VanDerWaalsContact C-N 3.32Å; Y61-K63 PolarHBondContact O-N 3.5Å; Y61-K64 WeakPolarHBondContact O-CB 3.01Å; Y61-K64 PolarHBondContact O-N 3.43Å; Y61-K64 VanDerWaalsContact O-N 3.14Å; Y61-L65 HydrophobicContact CD1-CD1 3.96Å; Y61-L65 HydrophobicContact CD1-CG 4.41Å; Y61-L65 HydrophobicContact CE1-CD1 3.3Å; Y61-L65 HydrophobicContact CE1-CG 3.94Å; Y61-L65 HydrophobicContact CE2-CD1 4.35Å; Y61-L65 HydrophobicContact CE2-CD2 4.24Å; Y61-L65 HydrophobicContact CE2-CG 4.12Å; Y61-L65 PolarHBondContact O-N 2.96Å |
| 62 | K | 92.6 | Very high | 88.3 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 37% | 0.365 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.2 | -45.9 | 175.2 | 178.1 | 178.1 | 168.8 | 177.7 | 0 | 111.4 | Y58 K64 L65 E66 | Y58-K62 HydrophobicContact CE1-CD 4.32Å; Y58-K62 VanDerWaalsContact O-CB 3.28Å; Y58-K62 WeakPolarHBondContact O-CB 3.39Å; Y58-K62 PolarHBondContact O-N 3.33Å; K62-K64 VanDerWaalsContact C-N 3.33Å; K62-K64 PolarHBondContact O-N 3.45Å; K62-L65 WeakPolarHBondContact O-CB 3.31Å; K62-L65 PolarHBondContact O-N 3.42Å; K62-E66 WeakPolarHBondContact CE-OE1 3.28Å; K62-E66 HydrophobicContact CG-CG 4.49Å; K62-E66 IonicContact NZ-OE1 3.77Å; K62-E66 WeakPolarHBondContact O-CG 3.48Å; K62-E66 PolarHBondContact O-N 3.48Å |
| 63 | K | 91 | Very high | 86.8 | Confident | 141 Ų | 141 | 100.8 Ų | 100.8 | 61% | 0.613 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60 | -43.4 | 177.1 | -174.5 | 177.4 | -179.4 | -179.6 | 0 | 111.5 | L59 K60 Y61 E66 T67 | L59-K63 WeakPolarHBondContact O-CB 2.78Å; L59-K63 PolarHBondContact O-N 3.1Å; K60-K63 PolarHBondContact O-N 3.25Å; Y61-K63 VanDerWaalsContact C-N 3.32Å; Y61-K63 PolarHBondContact O-N 3.5Å; K63-E66 PolarHBondContact O-N 2.75Å; K63-T67 HydrophobicContact CG-CG2 4.49Å; K63-T67 WeakPolarHBondContact O-CG2 3.36Å; K63-T67 PolarHBondContact O-N 3.39Å; K63-T67 PolarHBondContact O-OG1 3.49Å |
| 64 | K | 89.2 | Confident | 85.2 | Confident | 121 Ų | 121 | 107.1 Ų | 107.1 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 175 | -72.4 | -175.3 | 176.6 | -167.8 | 0 | 112.1 | K60 Y61 K62 E66 T67 E68 | K60-K64 WeakPolarHBondContact O-CG 3.31Å; K60-K64 PolarHBondContact O-N 3.19Å; Y61-K64 WeakPolarHBondContact O-CB 3.01Å; Y61-K64 PolarHBondContact O-N 3.43Å; Y61-K64 VanDerWaalsContact O-N 3.14Å; K62-K64 VanDerWaalsContact C-N 3.33Å; K62-K64 PolarHBondContact O-N 3.45Å; K64-E66 VanDerWaalsContact C-N 3.3Å; K64-E66 PolarHBondContact O-N 3.01Å; K64-T67 WeakPolarHBondContact CA-OG1 3.16Å; K64-T67 PolarHBondContact O-N 2.88Å; K64-T67 PolarHBondContact O-OG1 3.19Å; K64-T67 VanDerWaalsContact O-OG1 3.11Å; K64-E68 VanDerWaalsContact O-CB 3.32Å; K64-E68 WeakPolarHBondContact O-CB 3.37Å; K64-E68 PolarHBondContact O-N 3.43Å |
| 65 | L | 89.6 | Confident | 83.2 | Confident | 57 Ų | 57 | 105.9 Ų | 105.9 | 30% | 0.298 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 175.8 | -73.2 | -178.4 | 0 | 0 | 0 | 112.5 | Y61 K62 G69 Y70 | Y61-L65 HydrophobicContact CD1-CD1 3.96Å; Y61-L65 HydrophobicContact CD1-CG 4.41Å; Y61-L65 HydrophobicContact CE1-CD1 3.3Å; Y61-L65 HydrophobicContact CE1-CG 3.94Å; Y61-L65 HydrophobicContact CE2-CD1 4.35Å; Y61-L65 HydrophobicContact CE2-CD2 4.24Å; Y61-L65 HydrophobicContact CE2-CG 4.12Å; Y61-L65 PolarHBondContact O-N 2.96Å; K62-L65 WeakPolarHBondContact O-CB 3.31Å; K62-L65 PolarHBondContact O-N 3.42Å; L65-G69 CarbonylContact O-C 3.48Å; L65-G69 WeakPolarHBondContact O-CA 3.27Å; L65-G69 PolarHBondContact O-N 2.94Å; L65-Y70 HydrophobicContact CD2-CD2 4.5Å |
| 66 | E | 89.6 | Confident | 81.3 | Confident | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.6 | -34.1 | 178 | -72.3 | 173 | 164.3 | 0 | 0 | 112.2 | K62 K63 K64 | K62-E66 WeakPolarHBondContact CE-OE1 3.28Å; K62-E66 HydrophobicContact CG-CG 4.49Å; K62-E66 IonicContact NZ-OE1 3.77Å; K62-E66 WeakPolarHBondContact O-CG 3.48Å; K62-E66 PolarHBondContact O-N 3.48Å; K63-E66 PolarHBondContact O-N 2.75Å; K64-E66 VanDerWaalsContact C-N 3.3Å; K64-E66 PolarHBondContact O-N 3.01Å |
| 67 | T | 87.8 | Confident | 79.5 | Confident | 100 Ų | 100 | 109.3 Ų | 109.3 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -86.3 | -37.8 | -178.7 | 53.2 | 0 | 0 | 0 | 0 | 114.1 | K63 K64 | K63-T67 HydrophobicContact CG-CG2 4.49Å; K63-T67 WeakPolarHBondContact O-CG2 3.36Å; K63-T67 PolarHBondContact O-N 3.39Å; K63-T67 PolarHBondContact O-OG1 3.49Å; K64-T67 WeakPolarHBondContact CA-OG1 3.16Å; K64-T67 PolarHBondContact O-N 2.88Å; K64-T67 PolarHBondContact O-OG1 3.19Å; K64-T67 VanDerWaalsContact O-OG1 3.11Å |
| 68 | E | 85.2 | Confident | 77.4 | Confident | 128 Ų | 128 | 114.2 Ų | 114.2 | 60% | 0.598 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -101.2 | -8.9 | -173.8 | -61.7 | 171.3 | -152.8 | 0 | 0 | 112 | K64 | K64-E68 VanDerWaalsContact O-CB 3.32Å; K64-E68 WeakPolarHBondContact O-CB 3.37Å; K64-E68 PolarHBondContact O-N 3.43Å |
| 69 | G | 74.3 | Confident | 75 | Confident | 35 Ų | 35 | 116.6 Ų | 116.6 | 36% | 0.361 | 62% | 0.623 | S | S | . | * | trans | 79 | 177.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L65 L71 | L65-G69 CarbonylContact O-C 3.48Å; L65-G69 WeakPolarHBondContact O-CA 3.27Å; L65-G69 PolarHBondContact O-N 2.94Å; G69-L71 PolarHBondContact O-N 3.01Å | ||
| 70 | Y | 71.6 | Confident | 74 | Confident | 163 Ų | 163 | 118.9 Ų | 118.9 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | trans | -77.7 | 112.8 | 173.5 | 178.2 | -98.8 | 0 | 0 | 0 | 109.6 | L65 P72 | L65-Y70 HydrophobicContact CD2-CD2 4.5Å; Y70-P72 HydrophobicContact CD1-CG 4.17Å; Y70-P72 HydrophobicContact CE1-CB 4.01Å; Y70-P72 HydrophobicContact CE1-CG 3.89Å; Y70-P72 WeakPolarHBondContact O-CD 3.47Å | ||
| 71 | L | 64.9 | Low | 73 | Confident | 126 Ų | 126 | 121.3 Ų | 121.3 | 66% | 0.66 | 65% | 0.652 | S | S | * | * | trans | -91.5 | 113.1 | 165.4 | -67.3 | 171.6 | 0 | 0 | 0 | 107.9 | G69 | G69-L71 PolarHBondContact O-N 3.01Š| ||
| 72 | P | 67 | Low | 72 | Confident | 80 Ų | 80 | 120.6 Ų | 120.6 | 52% | 0.519 | 66% | 0.659 | S | S | . | * | trans | -56.2 | 140.7 | 169.7 | -14.7 | 26.5 | 0 | 0 | 0 | 108.7 | Y70 E74 | Y70-P72 HydrophobicContact CD1-CG 4.17Å; Y70-P72 HydrophobicContact CE1-CB 4.01Å; Y70-P72 HydrophobicContact CE1-CG 3.89Å; Y70-P72 WeakPolarHBondContact O-CD 3.47Å; P72-E74 PolarHBondContact O-N 2.72Å | ||
| 73 | P | 65.1 | Low | 70.8 | Confident | 102 Ų | 102 | 122.8 Ų | 122.8 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | trans | -57.2 | 120.8 | 166.7 | 23.5 | -29.5 | 0 | 0 | 0 | 107.2 | T75 | P73-T75 PolarHBondContact O-N 3.48Š| ||
| 74 | E | 62.7 | Low | 69.5 | Low | 176 Ų | 176 | 121.6 Ų | 121.6 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -44.5 | 110.7 | 173.1 | -68.2 | -76.8 | 128.9 | 0 | 0 | 107.5 | P72 T76 | P72-E74 PolarHBondContact O-N 2.72Å; E74-T76 VanDerWaalsContact C-N 3.33Å; E74-T76 PolarHBondContact O-N 3.23Å | ||
| 75 | T | 55.5 | Low | 68.2 | Low | 133 Ų | 133 | 121.7 Ų | 121.7 | 82% | 0.816 | 69% | 0.691 | S | S | * | * | trans | -58.4 | 104.9 | 170.8 | 48.1 | 0 | 0 | 0 | 0 | 105.3 | P73 G77 | P73-T75 PolarHBondContact O-N 3.48Å; T75-G77 PolarHBondContact O-N 3.36Å | ||
| 76 | T | 55.8 | Low | 66.7 | Low | 130 Ų | 130 | 126.3 Ų | 126.3 | 80% | 0.798 | 72% | 0.719 | S | S | * | * | trans | -62.7 | 91.4 | 170 | 51.5 | 0 | 0 | 0 | 0 | 106.3 | E74 K78 | E74-T76 VanDerWaalsContact C-N 3.33Å; E74-T76 PolarHBondContact O-N 3.23Å; T76-K78 VanDerWaalsContact C-N 3.25Å; T76-K78 PolarHBondContact O-N 3.41Å | ||
| 77 | G | 59.4 | Low | 64.9 | Low | 75 Ų | 75 | 125.8 Ų | 125.8 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -60.2 | 94.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | T75 | T75-G77 PolarHBondContact O-N 3.36Š| ||
| 78 | K | 49.1 | Very low | 63 | Low | 198 Ų | 198 | 127.9 Ų | 127.9 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -92.2 | 106.9 | 154.4 | -87.4 | -177.5 | 173 | 179.2 | 0 | 106 | T76 | T76-K78 VanDerWaalsContact C-N 3.25Å; T76-K78 PolarHBondContact O-N 3.41Å | ||
| 79 | S | 46 | Very low | 61 | Low | 189 Ų | 189 | 127.9 Ų | 127.9 | 100% | 1.322 | 75% | 0.748 | S | S | * | * | trans | -55.7 | 0 | 165.1 | -167.5 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 79 of 79 residues in 16.5 ms
(Link to these results)