| 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 | 76.7 | Confident | 92 | Very high | 200 Ų | 200 | 92.5 Ų | 92.5 | 99% | 0.985 | 48% | 0.476 | S | S | * | . | 0 | 154.6 | 0 | -168 | 179.4 | -69.3 | 0 | 0 | 109.1 | |||||
| 2 | A | 85.7 | Confident | 92.3 | Very high | 19 Ų | 19 | 97.4 Ų | 97.4 | 16% | 0.157 | 49% | 0.491 | C | S | . | . | trans | -72.2 | 145.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G68 | A2-G68 VanDerWaalsContact CB-O 3.29Å; A2-G68 WeakPolarHBondContact CB-O 3.36Å | ||
| 3 | K | 93.9 | Very high | 92.6 | Very high | 160 Ų | 160 | 92.8 Ų | 92.8 | 70% | 0.696 | 46% | 0.464 | S | S | * | . | trans | -59.2 | 138.8 | 174.2 | -63.6 | -175.1 | 178.7 | -175.1 | 0 | 110.3 | S5 M6 K7 | K3-S5 VanDerWaalsContact C-N 3.26Å; K3-S5 PolarHBondContact O-N 3.38Å; K3-M6 HydrophobicContact CB-CB 4.44Å; K3-M6 HydrophobicContact CB-CG 4.12Å; K3-M6 WeakPolarHBondContact O-CB 3.36Å; K3-M6 PolarHBondContact O-N 3.36Å; K3-K7 PolarHBondContact O-N 2.95Å | ||
| 4 | Q | 93.8 | Very high | 92.8 | Very high | 131 Ų | 131 | 90.1 Ų | 90.1 | 61% | 0.612 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.2 | -39.3 | 178.4 | -66.5 | -64.6 | -1.6 | 0 | 0 | 111.9 | M6 K7 A8 | Q4-M6 PolarHBondContact O-N 3.46Å; Q4-K7 WeakPolarHBondContact O-CB 3.3Å; Q4-K7 PolarHBondContact O-N 3.17Å; Q4-A8 PolarHBondContact O-N 3.27Å |
| 5 | S | 95.2 | Very high | 93 | Very high | 79 Ų | 79 | 88.1 Ų | 88.1 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -56.2 | -35.5 | 173.9 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | K3 R9 | K3-S5 VanDerWaalsContact C-N 3.26Å; K3-S5 PolarHBondContact O-N 3.38Å; S5-R9 WeakPolarHBondContact O-CB 3.45Å; S5-R9 PolarHBondContact O-N 3.16Å |
| 6 | M | 93.9 | Very high | 93.2 | Very high | 57 Ų | 57 | 84.9 Ų | 84.9 | 28% | 0.281 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -75.5 | -31.8 | 178.4 | -67.8 | -58.9 | -61.3 | 0 | 0 | 112.6 | K3 Q4 E10 | K3-M6 HydrophobicContact CB-CB 4.44Å; K3-M6 HydrophobicContact CB-CG 4.12Å; K3-M6 WeakPolarHBondContact O-CB 3.36Å; K3-M6 PolarHBondContact O-N 3.36Å; Q4-M6 PolarHBondContact O-N 3.46Å; M6-E10 PolarHBondContact O-N 3.46Å |
| 7 | K | 93.8 | Very high | 93.3 | Very high | 49 Ų | 49 | 80.2 Ų | 80.2 | 21% | 0.213 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.9 | -48.8 | 171.6 | -66.5 | -179.1 | 178.3 | -178.1 | 0 | 110.2 | K3 Q4 R9 E10 V11 Q66 T67 | K3-K7 PolarHBondContact O-N 2.95Å; Q4-K7 WeakPolarHBondContact O-CB 3.3Å; Q4-K7 PolarHBondContact O-N 3.17Å; K7-R9 VanDerWaalsContact C-N 3.32Å; K7-R9 PolarHBondContact O-N 3.46Å; K7-E10 WeakPolarHBondContact O-CB 3.48Å; K7-E10 PolarHBondContact O-N 2.86Å; K7-E10 VanDerWaalsContact O-N 3.09Å; K7-V11 PolarHBondContact O-N 3.46Å; K7-V11 VanDerWaalsContact O-N 3.17Å; K7-Q66 PolarHBondContact NZ-O 3.45Å; K7-T67 WeakPolarHBondContact CE-O 3.49Å |
| 8 | A | 94.8 | Very high | 93.5 | Very high | 58 Ų | 58 | 81.7 Ų | 81.7 | 48% | 0.479 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q4 E10 V11 K12 | Q4-A8 PolarHBondContact O-N 3.27Å; A8-E10 VanDerWaalsContact C-N 3.29Å; A8-E10 PolarHBondContact O-N 3.39Å; A8-V11 PolarHBondContact O-N 2.95Å; A8-K12 PolarHBondContact O-N 3.36Å |
| 9 | R | 95.1 | Very high | 93.6 | Very high | 138 Ų | 138 | 85.8 Ų | 85.8 | 52% | 0.521 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.3 | -38 | 174.4 | -178.3 | 177.1 | -78.8 | -179.4 | -5.9 | 112.4 | S5 K7 R13 | S5-R9 WeakPolarHBondContact O-CB 3.45Å; S5-R9 PolarHBondContact O-N 3.16Å; K7-R9 VanDerWaalsContact C-N 3.32Å; K7-R9 PolarHBondContact O-N 3.46Å; R9-R13 WeakPolarHBondContact O-CG 3.13Å; R9-R13 PolarHBondContact O-N 2.96Å; R9-R13 VanDerWaalsContact O-N 3.13Å |
| 10 | E | 94.5 | Very high | 93.7 | Very high | 21 Ų | 21 | 84.4 Ų | 84.4 | 10% | 0.098 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.6 | -44.8 | 177.3 | -159 | 64.4 | -133.1 | 0 | 0 | 111.2 | M6 K7 A8 K12 R13 V14 Q60 R61 R63 | M6-E10 PolarHBondContact O-N 3.46Å; K7-E10 WeakPolarHBondContact O-CB 3.48Å; K7-E10 PolarHBondContact O-N 2.86Å; K7-E10 VanDerWaalsContact O-N 3.09Å; A8-E10 VanDerWaalsContact C-N 3.29Å; A8-E10 PolarHBondContact O-N 3.39Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 3.35Å; E10-R13 WeakPolarHBondContact O-CB 3.38Å; E10-R13 PolarHBondContact O-N 3.1Å; E10-V14 WeakPolarHBondContact O-CG2 3.29Å; E10-V14 PolarHBondContact O-N 3.19Å; E10-Q60 WeakPolarHBondContact OE1-CA 3.42Å; E10-Q60 WeakPolarHBondContact OE1-CB 3.33Å; E10-R61 PolarHBondContact OE1-N 3.42Å; E10-R63 IonicContact OE2-NE 2.72Å |
| 11 | V | 94.3 | Very high | 93.8 | Very high | 105 Ų | 105 | 87 Ų | 87 | 64% | 0.636 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -56.1 | -45 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 111 | K7 A8 R13 V14 A15 | K7-V11 PolarHBondContact O-N 3.46Å; K7-V11 VanDerWaalsContact O-N 3.17Å; A8-V11 PolarHBondContact O-N 2.95Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 2.91Å; V11-V14 PolarHBondContact O-N 3.09Å; V11-A15 PolarHBondContact O-N 3.28Å; V11-A15 VanDerWaalsContact O-N 3.12Å |
| 12 | K | 95.6 | Very high | 94.7 | Very high | 152 Ų | 152 | 80.4 Ų | 80.4 | 66% | 0.661 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.5 | -40 | 175.7 | -174.6 | 177.2 | -179.3 | 176.3 | 0 | 112.6 | A8 E10 L16 | A8-K12 PolarHBondContact O-N 3.36Å; E10-K12 VanDerWaalsContact C-N 3.29Å; E10-K12 PolarHBondContact O-N 3.35Å; K12-L16 VanDerWaalsContact O-CB 3.32Å; K12-L16 WeakPolarHBondContact O-CB 3.45Å; K12-L16 PolarHBondContact O-N 2.71Å |
| 13 | R | 96.2 | Very high | 95.2 | Very high | 38 Ų | 38 | 84.5 Ų | 84.5 | 14% | 0.143 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.6 | -38.1 | 179.7 | -74.7 | 173.6 | 178.3 | 174.4 | -2.1 | 112.8 | R9 E10 V11 L16 A17 D54 R59 Q60 | R9-R13 WeakPolarHBondContact O-CG 3.13Å; R9-R13 PolarHBondContact O-N 2.96Å; R9-R13 VanDerWaalsContact O-N 3.13Å; E10-R13 WeakPolarHBondContact O-CB 3.38Å; E10-R13 PolarHBondContact O-N 3.1Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 2.91Å; R13-L16 PolarHBondContact O-N 3.15Å; R13-A17 WeakPolarHBondContact O-CB 3.49Å; R13-A17 PolarHBondContact O-N 3.12Å; R13-D54 HydrophobicContact CG-CB 4.24Å; R13-D54 IonicContact NE-OD1 2.66Å; R13-D54 IonicContact NE-OD2 3.08Å; R13-R59 PolarHBondContact NH1-O 3.05Å; R13-Q60 HydrophobicContact CB-CG 4.27Å |
| 14 | V | 95.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 78.4 Ų | 78.4 | 33% | 0.333 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.9 | -54.5 | 174.5 | 173.8 | 0 | 0 | 0 | 0 | 109.4 | E10 V11 L16 A17 D18 | E10-V14 WeakPolarHBondContact O-CG2 3.29Å; E10-V14 PolarHBondContact O-N 3.19Å; V11-V14 PolarHBondContact O-N 3.09Å; V14-L16 VanDerWaalsContact C-N 3.28Å; V14-L16 PolarHBondContact O-N 3.12Å; V14-A17 PolarHBondContact O-N 2.87Å; V14-A17 VanDerWaalsContact O-N 3.11Å; V14-D18 VanDerWaalsContact O-CG 3.26Å; V14-D18 PolarHBondContact O-N 3.22Å |
| 15 | A | 96.1 | Very high | 95.4 | Very high | 60 Ų | 60 | 74.4 Ų | 74.4 | 50% | 0.496 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.7 | -39 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V11 K19 | V11-A15 PolarHBondContact O-N 3.28Å; V11-A15 VanDerWaalsContact O-N 3.12Å; A15-K19 WeakPolarHBondContact O-CB 3.45Å; A15-K19 PolarHBondContact O-N 2.72Å |
| 16 | L | 95.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 76.6 Ų | 76.6 | 19% | 0.194 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.8 | -43.2 | 178 | -159.5 | 160.8 | 0 | 0 | 0 | 111.3 | K12 R13 V14 D18 K19 Y20 P52 D54 S55 | K12-L16 VanDerWaalsContact O-CB 3.32Å; K12-L16 WeakPolarHBondContact O-CB 3.45Å; K12-L16 PolarHBondContact O-N 2.71Å; R13-L16 PolarHBondContact O-N 3.15Å; V14-L16 VanDerWaalsContact C-N 3.28Å; V14-L16 PolarHBondContact O-N 3.12Å; L16-D18 VanDerWaalsContact C-N 3.33Å; L16-D18 PolarHBondContact O-N 3.24Å; L16-K19 PolarHBondContact O-N 3.36Å; L16-Y20 HydrophobicContact CD2-CD2 3.53Å; L16-Y20 HydrophobicContact CD2-CE2 3.77Å; L16-Y20 HydrophobicContact CG-CD2 4.15Å; L16-Y20 HydrophobicContact CG-CE2 4.08Å; L16-Y20 VanDerWaalsContact O-CD2 3.31Å; L16-Y20 WeakPolarHBondContact O-CD2 3.37Å; L16-Y20 PolarHBondContact O-N 2.88Å; L16-P52 HydrophobicContact CD1-CB 4.4Å; L16-P52 HydrophobicContact CD2-CB 4.1Å; L16-P52 HydrophobicContact CD2-CG 4.47Å; L16-D54 HydrophobicContact CD1-CB 4.33Å; L16-S55 VanDerWaalsContact CD2-N 3.29Å |
| 17 | A | 95.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 74.5 Ų | 74.5 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R13 V14 Y20 F21 | R13-A17 WeakPolarHBondContact O-CB 3.49Å; R13-A17 PolarHBondContact O-N 3.12Å; V14-A17 PolarHBondContact O-N 2.87Å; V14-A17 VanDerWaalsContact O-N 3.11Å; A17-Y20 PolarHBondContact O-N 3Å; A17-F21 WeakPolarHBondContact O-CA 3.35Å; A17-F21 WeakPolarHBondContact O-CB 3.31Å; A17-F21 PolarHBondContact O-N 2.95Å |
| 18 | D | 95.7 | Very high | 95.5 | Very high | 107 Ų | 107 | 77.2 Ų | 77.2 | 57% | 0.572 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 177 | -62.6 | -23.1 | 0 | 0 | 0 | 110.9 | V14 L16 Y20 F21 | V14-D18 VanDerWaalsContact O-CG 3.26Å; V14-D18 PolarHBondContact O-N 3.22Å; L16-D18 VanDerWaalsContact C-N 3.33Å; L16-D18 PolarHBondContact O-N 3.24Å; D18-Y20 VanDerWaalsContact C-N 3.3Å; D18-Y20 PolarHBondContact O-N 2.67Å; D18-F21 WeakPolarHBondContact O-CB 3.43Å; D18-F21 PolarHBondContact O-N 3.15Å |
| 19 | K | 96.4 | Very high | 95.6 | Very high | 159 Ų | 159 | 77 Ų | 77 | 69% | 0.691 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -56.6 | -39.5 | 177.6 | -178.1 | 178.4 | -179 | 178.4 | 0 | 113.5 | A15 L16 | A15-K19 WeakPolarHBondContact O-CB 3.45Å; A15-K19 PolarHBondContact O-N 2.72Å; L16-K19 PolarHBondContact O-N 3.36Å |
| 20 | Y | 96.1 | Very high | 95.5 | Very high | 57 Ų | 57 | 73.9 Ų | 73.9 | 22% | 0.224 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -103.2 | 6.9 | -176.3 | -67.5 | -78.1 | 0 | 0 | 0 | 113.3 | L16 A17 D18 A22 R24 L51 P52 | L16-Y20 HydrophobicContact CD2-CD2 3.53Å; L16-Y20 HydrophobicContact CD2-CE2 3.77Å; L16-Y20 HydrophobicContact CG-CD2 4.15Å; L16-Y20 HydrophobicContact CG-CE2 4.08Å; L16-Y20 VanDerWaalsContact O-CD2 3.31Å; L16-Y20 WeakPolarHBondContact O-CD2 3.37Å; L16-Y20 PolarHBondContact O-N 2.88Å; A17-Y20 PolarHBondContact O-N 3Å; D18-Y20 VanDerWaalsContact C-N 3.3Å; D18-Y20 PolarHBondContact O-N 2.67Å; Y20-A22 PolarHBondContact O-N 3.05Å; Y20-R24 WeakPolarHBondContact O-CB 3.32Å; Y20-R24 VanDerWaalsContact O-CG 3.32Å; Y20-R24 WeakPolarHBondContact O-CG 3.31Å; Y20-R24 PolarHBondContact O-N 3.18Å; Y20-L51 HydrophobicContact CD1-CD2 3.9Å; Y20-L51 HydrophobicContact CE1-CD2 4.08Å; Y20-P52 HydrophobicContact CE2-CG 4.06Å |
| 21 | F | 95.3 | Very high | 95.5 | Very high | 141 Ų | 141 | 75.6 Ų | 75.6 | 62% | 0.618 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59.1 | -52.8 | -172.2 | -177.7 | -99.9 | 0 | 0 | 0 | 112 | A17 D18 R24 A25 | A17-F21 WeakPolarHBondContact O-CA 3.35Å; A17-F21 WeakPolarHBondContact O-CB 3.31Å; A17-F21 PolarHBondContact O-N 2.95Å; D18-F21 WeakPolarHBondContact O-CB 3.43Å; D18-F21 PolarHBondContact O-N 3.15Å; F21-R24 PolarHBondContact O-N 2.56Å; F21-A25 WeakPolarHBondContact O-CB 3.2Å; F21-A25 PolarHBondContact O-N 2.93Å |
| 22 | A | 96 | Very high | 95.5 | Very high | 61 Ų | 61 | 75 Ų | 75 | 50% | 0.504 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.6 | -52.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y20 R24 A25 E26 | Y20-A22 PolarHBondContact O-N 3.05Å; A22-R24 VanDerWaalsContact C-N 3.29Å; A22-R24 PolarHBondContact O-N 2.93Å; A22-A25 WeakPolarHBondContact O-CB 3.23Å; A22-A25 PolarHBondContact O-N 2.73Å; A22-E26 WeakPolarHBondContact O-CG 3.25Å; A22-E26 PolarHBondContact O-N 3.19Å |
| 23 | K | 95.2 | Very high | 95.4 | Very high | 105 Ų | 105 | 71.2 Ų | 71.2 | 46% | 0.457 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 178.6 | -174.9 | 168.9 | -177.6 | 173 | 0 | 112.7 | L27 L51 | K23-L27 HydrophobicContact CG-CD1 4.29Å; K23-L27 VanDerWaalsContact O-CG 3.23Å; K23-L27 WeakPolarHBondContact O-CG 3.29Å; K23-L27 PolarHBondContact O-N 3.04Å; K23-L27 VanDerWaalsContact O-N 3.17Å; K23-L51 HydrophobicContact CD-CD2 4.1Å; K23-L51 HydrophobicContact CG-CD1 4.41Å |
| 24 | R | 96 | Very high | 95.2 | Very high | 31 Ų | 31 | 75.1 Ų | 75.1 | 12% | 0.117 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -71.2 | -35.5 | 175.9 | -71.7 | -178.2 | 76.2 | 78.5 | 8.8 | 112 | Y20 F21 A22 K28 L48 L51 S55 | Y20-R24 WeakPolarHBondContact O-CB 3.32Å; Y20-R24 VanDerWaalsContact O-CG 3.32Å; Y20-R24 WeakPolarHBondContact O-CG 3.31Å; Y20-R24 PolarHBondContact O-N 3.18Å; F21-R24 PolarHBondContact O-N 2.56Å; A22-R24 VanDerWaalsContact C-N 3.29Å; A22-R24 PolarHBondContact O-N 2.93Å; R24-K28 VanDerWaalsContact O-CB 3.29Å; R24-K28 WeakPolarHBondContact O-CB 3.21Å; R24-K28 VanDerWaalsContact O-CG 3.25Å; R24-K28 WeakPolarHBondContact O-CG 3.35Å; R24-K28 PolarHBondContact O-N 3.12Å; R24-L48 HydrophobicContact CB-CD1 4.45Å; R24-L48 HydrophobicContact CG-CD1 4.11Å; R24-L51 HydrophobicContact CG-CD1 3.59Å; R24-S55 WeakPolarHBondContact CD-OG 3.4Å; R24-S55 PolarHBondContact NH1-OG 3.49Å |
| 25 | A | 95.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 79.5 Ų | 79.5 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | F21 A22 K28 A29 | F21-A25 WeakPolarHBondContact O-CB 3.2Å; F21-A25 PolarHBondContact O-N 2.93Å; A22-A25 WeakPolarHBondContact O-CB 3.23Å; A22-A25 PolarHBondContact O-N 2.73Å; A25-K28 PolarHBondContact O-N 2.78Å; A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 2.82Å |
| 26 | E | 95.4 | Very high | 94.7 | Very high | 125 Ų | 125 | 77.5 Ų | 77.5 | 58% | 0.584 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -57.7 | -52.3 | 174.8 | -70.5 | 165.8 | -167 | 0 | 0 | 111.9 | A22 K28 A29 I30 | A22-E26 WeakPolarHBondContact O-CG 3.25Å; A22-E26 PolarHBondContact O-N 3.19Å; E26-K28 VanDerWaalsContact C-N 3.29Å; E26-K28 PolarHBondContact O-N 3.03Å; E26-A29 WeakPolarHBondContact O-CB 3.39Å; E26-A29 PolarHBondContact O-N 3.42Å; E26-A29 VanDerWaalsContact O-N 3.13Å; E26-I30 WeakPolarHBondContact O-CG1 3.36Å; E26-I30 PolarHBondContact O-N 3.22Å; E26-I30 VanDerWaalsContact O-N 3.1Å |
| 27 | L | 95.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 78.2 Ų | 78.2 | 7% | 0.068 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | 179.1 | -69.6 | 173 | 0 | 0 | 0 | 112.1 | K23 I31 A44 K47 L48 L51 | K23-L27 HydrophobicContact CG-CD1 4.29Å; K23-L27 VanDerWaalsContact O-CG 3.23Å; K23-L27 WeakPolarHBondContact O-CG 3.29Å; K23-L27 PolarHBondContact O-N 3.04Å; K23-L27 VanDerWaalsContact O-N 3.17Å; L27-I31 WeakPolarHBondContact O-CD1 3.48Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 3.11Å; L27-I31 VanDerWaalsContact O-N 3.1Å; L27-A44 HydrophobicContact CD2-CB 4.18Å; L27-K47 HydrophobicContact CD1-CB 4.02Å; L27-K47 HydrophobicContact CD2-CB 3.77Å; L27-K47 HydrophobicContact CD2-CD 4.05Å; L27-L48 HydrophobicContact CB-CD1 4.41Å; L27-L48 HydrophobicContact CD1-CB 4.21Å; L27-L48 HydrophobicContact CD1-CD1 4.27Å; L27-L51 HydrophobicContact CD1-CD1 4.14Å |
| 28 | K | 95.1 | Very high | 94.4 | Very high | 106 Ų | 106 | 83.8 Ų | 83.8 | 46% | 0.461 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 176.5 | -79.1 | -177.4 | 171.5 | -164.5 | 0 | 112.6 | R24 A25 E26 I31 S32 | R24-K28 VanDerWaalsContact O-CB 3.29Å; R24-K28 WeakPolarHBondContact O-CB 3.21Å; R24-K28 VanDerWaalsContact O-CG 3.25Å; R24-K28 WeakPolarHBondContact O-CG 3.35Å; R24-K28 PolarHBondContact O-N 3.12Å; A25-K28 PolarHBondContact O-N 2.78Å; E26-K28 VanDerWaalsContact C-N 3.29Å; E26-K28 PolarHBondContact O-N 3.03Å; K28-I31 PolarHBondContact O-N 2.93Å; K28-S32 WeakPolarHBondContact O-CB 3.45Å; K28-S32 PolarHBondContact O-N 3.31Å; K28-S32 PolarHBondContact O-OG 3.1Å |
| 29 | A | 95.7 | Very high | 94.2 | Very high | 55 Ų | 55 | 85.8 Ų | 85.8 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A25 E26 I31 S32 D33 | A25-A29 WeakPolarHBondContact O-CB 3.4Å; A25-A29 PolarHBondContact O-N 2.82Å; E26-A29 WeakPolarHBondContact O-CB 3.39Å; E26-A29 PolarHBondContact O-N 3.42Å; E26-A29 VanDerWaalsContact O-N 3.13Å; A29-I31 VanDerWaalsContact C-N 3.34Å; A29-I31 PolarHBondContact O-N 3.34Å; A29-S32 WeakPolarHBondContact CA-OG 3.32Å; A29-S32 PolarHBondContact O-N 3.48Å; A29-S32 PolarHBondContact O-OG 3.01Å; A29-D33 PolarHBondContact O-N 3.22Å |
| 30 | I | 94.2 | Very high | 94 | Very high | 71 Ų | 71 | 82.4 Ų | 82.4 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 174.7 | -61.7 | 166.5 | 0 | 0 | 0 | 110.9 | E26 S32 D33 D40 A44 | E26-I30 WeakPolarHBondContact O-CG1 3.36Å; E26-I30 PolarHBondContact O-N 3.22Å; E26-I30 VanDerWaalsContact O-N 3.1Å; I30-S32 VanDerWaalsContact C-N 3.31Å; I30-S32 PolarHBondContact O-N 3.28Å; I30-D33 PolarHBondContact O-N 3.44Å; I30-D40 HydrophobicContact CG2-CB 4.5Å; I30-A44 HydrophobicContact CB-CB 4.14Å; I30-A44 HydrophobicContact CG2-CB 3.84Å |
| 31 | I | 93.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 83 Ų | 83 | 29% | 0.292 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 179.3 | -67.5 | 163.9 | 0 | 0 | 0 | 111.7 | L27 K28 A29 A44 V45 L48 | L27-I31 WeakPolarHBondContact O-CD1 3.48Å; L27-I31 WeakPolarHBondContact O-CG1 3.48Å; L27-I31 PolarHBondContact O-N 3.11Å; L27-I31 VanDerWaalsContact O-N 3.1Å; K28-I31 PolarHBondContact O-N 2.93Å; A29-I31 VanDerWaalsContact C-N 3.34Å; A29-I31 PolarHBondContact O-N 3.34Å; I31-A44 HydrophobicContact CD1-CB 4.27Å; I31-A44 HydrophobicContact CG1-CB 3.79Å; I31-V45 HydrophobicContact CD1-CG2 3.79Å; I31-V45 HydrophobicContact CG1-CG2 3.98Å; I31-L48 HydrophobicContact CD1-CD2 4.03Å |
| 32 | S | 94.1 | Very high | 93.8 | Very high | 92 Ų | 92 | 84 Ų | 84 | 64% | 0.643 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -83.2 | -13.7 | 179.8 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | K28 A29 I30 V34 | K28-S32 WeakPolarHBondContact O-CB 3.45Å; K28-S32 PolarHBondContact O-N 3.31Å; K28-S32 PolarHBondContact O-OG 3.1Å; A29-S32 WeakPolarHBondContact CA-OG 3.32Å; A29-S32 PolarHBondContact O-N 3.48Å; A29-S32 PolarHBondContact O-OG 3.01Å; I30-S32 VanDerWaalsContact C-N 3.31Å; I30-S32 PolarHBondContact O-N 3.28Å; S32-V34 PolarHBondContact O-N 3.07Å |
| 33 | D | 94.3 | Very high | 93.8 | Very high | 73 Ų | 73 | 84.6 Ų | 84.6 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | trans | -71 | 125.1 | -178.6 | -174.7 | 4 | 0 | 0 | 0 | 110.3 | A29 I30 N35 A36 R41 | A29-D33 PolarHBondContact O-N 3.22Å; I30-D33 PolarHBondContact O-N 3.44Å; D33-N35 VanDerWaalsContact C-N 3.28Å; D33-N35 PolarHBondContact O-N 3.34Å; D33-N35 PolarHBondContact OD1-N 3.36Å; D33-A36 HydrophobicContact CB-CB 4.1Å; D33-R41 PolarHBondContact O-NE 3.17Å; D33-R41 PolarHBondContact O-NH2 2.94Å | ||
| 34 | V | 92.5 | Very high | 93.8 | Very high | 121 Ų | 121 | 79.8 Ų | 79.8 | 73% | 0.733 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -28 | -179.4 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | S32 R41 | S32-V34 PolarHBondContact O-N 3.07Å; V34-R41 PolarHBondContact O-NH2 2.87Å |
| 35 | N | 92.4 | Very high | 93.7 | Very high | 147 Ų | 147 | 80.2 Ų | 80.2 | 79% | 0.786 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -9.1 | -176.1 | -57.2 | -57.6 | 0 | 0 | 0 | 113.9 | D33 | D33-N35 VanDerWaalsContact C-N 3.28Å; D33-N35 PolarHBondContact O-N 3.34Å; D33-N35 PolarHBondContact OD1-N 3.36Å |
| 36 | A | 88.3 | Confident | 93.7 | Very high | 17 Ų | 17 | 81.4 Ų | 81.4 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -66.2 | 140.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | D33 R41 | D33-A36 HydrophobicContact CB-CB 4.1Å; A36-R41 HydrophobicContact CB-CG 4.01Å |
| 37 | S | 92.4 | Very high | 93.7 | Very high | 53 Ų | 53 | 81.3 Ų | 81.3 | 37% | 0.371 | 43% | 0.427 | S | S | . | . | trans | -61.8 | 150.7 | 174.1 | 76.3 | 0 | 0 | 0 | 0 | 110.6 | E39 D40 R41 | S37-E39 PolarHBondContact O-N 2.96Å; S37-D40 PolarHBondContact O-N 3.42Å; S37-D40 VanDerWaalsContact O-N 3.15Å; S37-D40 WeakPolarHBondContact OG-CB 3.43Å; S37-D40 PolarHBondContact OG-N 3.3Å; S37-D40 PolarHBondContact OG-OD2 3.01Å; S37-R41 WeakPolarHBondContact O-CG 3.43Å; S37-R41 PolarHBondContact O-N 3.33Å | ||
| 38 | D | 91.9 | Very high | 93.7 | Very high | 121 Ų | 121 | 82.3 Ų | 82.3 | 65% | 0.647 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.8 | -29.6 | 178.1 | -71.1 | -27.7 | 0 | 0 | 0 | 111.9 | R41 W42 | D38-R41 IonicContact OD1-NH1 2.86Å; D38-R41 PolarHBondContact OD1-NH1 3.09Å; D38-R41 VanDerWaalsContact OD1-NH1 3.1Å; D38-W42 VanDerWaalsContact O-CB 3.3Å; D38-W42 WeakPolarHBondContact O-CB 3.48Å; D38-W42 PolarHBondContact O-N 3.39Å |
| 39 | E | 92.8 | Very high | 93.7 | Very high | 150 Ų | 150 | 83.8 Ų | 83.8 | 70% | 0.701 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.6 | -45.5 | 173 | -64.7 | -175.6 | 179.3 | 0 | 0 | 112 | S37 W42 N43 | S37-E39 PolarHBondContact O-N 2.96Å; E39-W42 PolarHBondContact O-N 3.13Å; E39-N43 WeakPolarHBondContact O-CB 3.42Å; E39-N43 VanDerWaalsContact O-CG 3.24Å; E39-N43 PolarHBondContact O-N 3.1Å; E39-N43 PolarHBondContact O-ND2 2.97Å; E39-N43 VanDerWaalsContact O-ND2 3.09Å |
| 40 | D | 92.2 | Very high | 93.7 | Very high | 88 Ų | 88 | 86.6 Ų | 86.6 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 177.7 | -70.7 | -44.1 | 0 | 0 | 0 | 111.6 | I30 S37 N43 A44 | I30-D40 HydrophobicContact CG2-CB 4.5Å; S37-D40 PolarHBondContact O-N 3.42Å; S37-D40 VanDerWaalsContact O-N 3.15Å; S37-D40 WeakPolarHBondContact OG-CB 3.43Å; S37-D40 PolarHBondContact OG-N 3.3Å; S37-D40 PolarHBondContact OG-OD2 3.01Å; D40-N43 PolarHBondContact O-N 3.13Å; D40-A44 VanDerWaalsContact O-CB 3.31Å; D40-A44 WeakPolarHBondContact O-CB 3.33Å; D40-A44 PolarHBondContact O-N 3.38Å |
| 41 | R | 92.8 | Very high | 93.7 | Very high | 68 Ų | 68 | 83.9 Ų | 83.9 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 173.4 | -71.5 | 177.9 | 177.1 | 153.5 | 1.5 | 111 | D33 V34 A36 S37 D38 A44 V45 | D33-R41 PolarHBondContact O-NE 3.17Å; D33-R41 PolarHBondContact O-NH2 2.94Å; V34-R41 PolarHBondContact O-NH2 2.87Å; A36-R41 HydrophobicContact CB-CG 4.01Å; S37-R41 WeakPolarHBondContact O-CG 3.43Å; S37-R41 PolarHBondContact O-N 3.33Å; D38-R41 IonicContact OD1-NH1 2.86Å; D38-R41 PolarHBondContact OD1-NH1 3.09Å; D38-R41 VanDerWaalsContact OD1-NH1 3.1Å; R41-A44 PolarHBondContact O-N 3.01Å; R41-V45 WeakPolarHBondContact O-CG2 3.4Å; R41-V45 PolarHBondContact O-N 3.29Å |
| 42 | W | 93.7 | Very high | 93.8 | Very high | 162 Ų | 162 | 83.6 Ų | 83.6 | 61% | 0.614 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 179.3 | -174 | -115.6 | 0 | 0 | 0 | 111.9 | D38 E39 A44 V45 L46 | D38-W42 VanDerWaalsContact O-CB 3.3Å; D38-W42 WeakPolarHBondContact O-CB 3.48Å; D38-W42 PolarHBondContact O-N 3.39Å; E39-W42 PolarHBondContact O-N 3.13Å; W42-A44 VanDerWaalsContact C-N 3.31Å; W42-A44 PolarHBondContact O-N 3.01Å; W42-V45 PolarHBondContact O-N 2.91Å; W42-L46 HydrophobicContact CZ2-CD2 4.43Å; W42-L46 WeakPolarHBondContact O-CG 3.45Å; W42-L46 PolarHBondContact O-N 3.17Å |
| 43 | N | 95.2 | Very high | 93.8 | Very high | 75 Ų | 75 | 89.3 Ų | 89.3 | 40% | 0.401 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 175.1 | -75 | -36.7 | 0 | 0 | 0 | 112.1 | E39 D40 L46 K47 | E39-N43 WeakPolarHBondContact O-CB 3.42Å; E39-N43 VanDerWaalsContact O-CG 3.24Å; E39-N43 PolarHBondContact O-N 3.1Å; E39-N43 PolarHBondContact O-ND2 2.97Å; E39-N43 VanDerWaalsContact O-ND2 3.09Å; D40-N43 PolarHBondContact O-N 3.13Å; N43-L46 PolarHBondContact O-N 3.41Å; N43-K47 WeakPolarHBondContact O-CB 3.49Å; N43-K47 VanDerWaalsContact O-CG 3.29Å; N43-K47 WeakPolarHBondContact O-CG 3.47Å; N43-K47 PolarHBondContact O-N 3.01Å |
| 44 | A | 95.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 88 Ų | 88 | 3% | 0.025 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L27 I30 I31 D40 R41 W42 K47 L48 | L27-A44 HydrophobicContact CD2-CB 4.18Å; I30-A44 HydrophobicContact CB-CB 4.14Å; I30-A44 HydrophobicContact CG2-CB 3.84Å; I31-A44 HydrophobicContact CD1-CB 4.27Å; I31-A44 HydrophobicContact CG1-CB 3.79Å; D40-A44 VanDerWaalsContact O-CB 3.31Å; D40-A44 WeakPolarHBondContact O-CB 3.33Å; D40-A44 PolarHBondContact O-N 3.38Å; R41-A44 PolarHBondContact O-N 3.01Å; W42-A44 VanDerWaalsContact C-N 3.31Å; W42-A44 PolarHBondContact O-N 3.01Å; A44-K47 PolarHBondContact O-N 3.34Å; A44-L48 WeakPolarHBondContact O-CB 3.48Å; A44-L48 PolarHBondContact O-N 3.37Å |
| 45 | V | 95.2 | Very high | 93.9 | Very high | 40 Ų | 40 | 82.3 Ų | 82.3 | 24% | 0.242 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.5 | -47.9 | 174.1 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | I31 R41 W42 K47 L48 Q49 | I31-V45 HydrophobicContact CD1-CG2 3.79Å; I31-V45 HydrophobicContact CG1-CG2 3.98Å; R41-V45 WeakPolarHBondContact O-CG2 3.4Å; R41-V45 PolarHBondContact O-N 3.29Å; W42-V45 PolarHBondContact O-N 2.91Å; V45-K47 PolarHBondContact O-N 3.12Å; V45-L48 WeakPolarHBondContact O-CB 3.42Å; V45-L48 PolarHBondContact O-N 2.97Å; V45-L48 VanDerWaalsContact O-N 3.12Å; V45-Q49 HydrophobicContact CG1-CG 4.46Å; V45-Q49 WeakPolarHBondContact O-CG 3.37Å; V45-Q49 PolarHBondContact O-N 2.91Å |
| 46 | L | 95.5 | Very high | 94 | Very high | 72 Ų | 72 | 76.2 Ų | 76.2 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 177 | -69.7 | 175.2 | 0 | 0 | 0 | 111.1 | W42 N43 L48 Q49 T50 | W42-L46 HydrophobicContact CZ2-CD2 4.43Å; W42-L46 WeakPolarHBondContact O-CG 3.45Å; W42-L46 PolarHBondContact O-N 3.17Å; N43-L46 PolarHBondContact O-N 3.41Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 3.04Å; L46-Q49 PolarHBondContact O-N 3.22Å; L46-T50 WeakPolarHBondContact O-CG2 3.43Å; L46-T50 PolarHBondContact O-N 3.34Å; L46-T50 VanDerWaalsContact O-N 3.16Å |
| 47 | K | 95.5 | Very high | 94.2 | Very high | 124 Ų | 124 | 78.9 Ų | 78.9 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 174.4 | -74.6 | 173.3 | -176.1 | 173.1 | 0 | 111.6 | L27 N43 A44 V45 Q49 T50 | L27-K47 HydrophobicContact CD1-CB 4.02Å; L27-K47 HydrophobicContact CD2-CB 3.77Å; L27-K47 HydrophobicContact CD2-CD 4.05Å; N43-K47 WeakPolarHBondContact O-CB 3.49Å; N43-K47 VanDerWaalsContact O-CG 3.29Å; N43-K47 WeakPolarHBondContact O-CG 3.47Å; N43-K47 PolarHBondContact O-N 3.01Å; A44-K47 PolarHBondContact O-N 3.34Å; V45-K47 PolarHBondContact O-N 3.12Å; K47-Q49 VanDerWaalsContact C-N 3.34Å; K47-Q49 PolarHBondContact O-N 3.48Å; K47-T50 PolarHBondContact O-N 3.21Å; K47-T50 PolarHBondContact O-OG1 3.28Å |
| 48 | L | 95.2 | Very high | 94.3 | Very high | 33 Ų | 33 | 81.1 Ų | 81.1 | 17% | 0.173 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.4 | -36.3 | 178.7 | -173.5 | 68.1 | 0 | 0 | 0 | 112.3 | R24 L27 I31 A44 V45 L46 L51 | R24-L48 HydrophobicContact CB-CD1 4.45Å; R24-L48 HydrophobicContact CG-CD1 4.11Å; L27-L48 HydrophobicContact CB-CD1 4.41Å; L27-L48 HydrophobicContact CD1-CB 4.21Å; L27-L48 HydrophobicContact CD1-CD1 4.27Å; I31-L48 HydrophobicContact CD1-CD2 4.03Å; A44-L48 WeakPolarHBondContact O-CB 3.48Å; A44-L48 PolarHBondContact O-N 3.37Å; V45-L48 WeakPolarHBondContact O-CB 3.42Å; V45-L48 PolarHBondContact O-N 2.97Å; V45-L48 VanDerWaalsContact O-N 3.12Å; L46-L48 VanDerWaalsContact C-N 3.31Å; L46-L48 PolarHBondContact O-N 3.04Å; L48-L51 HydrophobicContact CD1-CD1 4.31Å; L48-L51 PolarHBondContact O-N 3.11Å |
| 49 | Q | 94.7 | Very high | 94.4 | Very high | 138 Ų | 138 | 80.7 Ų | 80.7 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.1 | -30.7 | 178.8 | -72.1 | 178.9 | 7.1 | 0 | 0 | 113 | V45 L46 K47 L51 | V45-Q49 HydrophobicContact CG1-CG 4.46Å; V45-Q49 WeakPolarHBondContact O-CG 3.37Å; V45-Q49 PolarHBondContact O-N 2.91Å; L46-Q49 PolarHBondContact O-N 3.22Å; K47-Q49 VanDerWaalsContact C-N 3.34Å; K47-Q49 PolarHBondContact O-N 3.48Å; Q49-L51 PolarHBondContact O-N 2.95Å |
| 50 | T | 95.1 | Very high | 94.5 | Very high | 113 Ų | 113 | 76.5 Ų | 76.5 | 69% | 0.693 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.5 | -19.7 | 174.9 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | L46 K47 | L46-T50 WeakPolarHBondContact O-CG2 3.43Å; L46-T50 PolarHBondContact O-N 3.34Å; L46-T50 VanDerWaalsContact O-N 3.16Å; K47-T50 PolarHBondContact O-N 3.21Å; K47-T50 PolarHBondContact O-OG1 3.28Å |
| 51 | L | 94.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 78 Ų | 78 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -71.3 | 149.4 | 178.9 | -63.8 | 180 | 0 | 0 | 0 | 111.8 | Y20 K23 R24 L27 L48 Q49 R53 | Y20-L51 HydrophobicContact CD1-CD2 3.9Å; Y20-L51 HydrophobicContact CE1-CD2 4.08Å; K23-L51 HydrophobicContact CD-CD2 4.1Å; K23-L51 HydrophobicContact CG-CD1 4.41Å; R24-L51 HydrophobicContact CG-CD1 3.59Å; L27-L51 HydrophobicContact CD1-CD1 4.14Å; L48-L51 HydrophobicContact CD1-CD1 4.31Å; L48-L51 PolarHBondContact O-N 3.11Å; Q49-L51 PolarHBondContact O-N 2.95Å; L51-R53 PolarHBondContact O-N 3.48Å |
| 52 | P | 95.7 | Very high | 94.7 | Very high | 50 Ų | 50 | 78.7 Ų | 78.7 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | trans | -57.6 | 134.2 | 179 | -22.8 | 32.1 | 0 | 0 | 0 | 111.8 | L16 Y20 D54 S55 | L16-P52 HydrophobicContact CD1-CB 4.4Å; L16-P52 HydrophobicContact CD2-CB 4.1Å; L16-P52 HydrophobicContact CD2-CG 4.47Å; Y20-P52 HydrophobicContact CE2-CG 4.06Å; P52-D54 VanDerWaalsContact C-N 3.25Å; P52-D54 PolarHBondContact O-N 3.28Å; P52-S55 WeakPolarHBondContact O-CB 3.4Å; P52-S55 PolarHBondContact O-N 3.25Å; P52-S55 PolarHBondContact O-OG 3.27Å | ||
| 53 | R | 94.5 | Very high | 94.7 | Very high | 212 Ų | 212 | 73 Ų | 73 | 80% | 0.8 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -55.9 | -39.2 | -177.4 | -67.4 | -177.7 | 178.7 | -179.8 | -1 | 113.2 | L51 S55 S56 R59 | L51-R53 PolarHBondContact O-N 3.48Å; R53-S55 PolarHBondContact O-N 2.95Å; R53-S55 VanDerWaalsContact O-N 3.12Å; R53-S56 WeakPolarHBondContact O-CB 3.45Å; R53-S56 PolarHBondContact O-N 3.34Å; R53-S56 VanDerWaalsContact O-N 3.15Å; R53-R59 WeakPolarHBondContact O-CD 3.29Å |
| 54 | D | 94.7 | Very high | 94.7 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -66.9 | -6.6 | 179.3 | -81.2 | -4.7 | 0 | 0 | 0 | 113.5 | R13 L16 P52 S56 R59 | R13-D54 HydrophobicContact CG-CB 4.24Å; R13-D54 IonicContact NE-OD1 2.66Å; R13-D54 IonicContact NE-OD2 3.08Å; L16-D54 HydrophobicContact CD1-CB 4.33Å; P52-D54 VanDerWaalsContact C-N 3.25Å; P52-D54 PolarHBondContact O-N 3.28Å; D54-S56 PolarHBondContact O-N 2.98Å; D54-R59 IonicContact OD1-CZ 3.22Å; D54-R59 IonicContact OD1-NE 3.42Å; D54-R59 PolarHBondContact OD1-NE 3.13Å; D54-R59 IonicContact OD1-NH2 3.1Å; D54-R59 PolarHBondContact OD1-NH2 2.98Å |
| 55 | S | 93.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -72.2 | -16.8 | 171.9 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | L16 R24 P52 R53 | L16-S55 VanDerWaalsContact CD2-N 3.29Å; R24-S55 WeakPolarHBondContact CD-OG 3.4Å; R24-S55 PolarHBondContact NH1-OG 3.49Å; P52-S55 WeakPolarHBondContact O-CB 3.4Å; P52-S55 PolarHBondContact O-N 3.25Å; P52-S55 PolarHBondContact O-OG 3.27Å; R53-S55 PolarHBondContact O-N 2.95Å; R53-S55 VanDerWaalsContact O-N 3.12Å |
| 56 | S | 94.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 82.5 Ų | 82.5 | 13% | 0.133 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -75 | 126 | 176.3 | -172.7 | 0 | 0 | 0 | 0 | 111 | R53 D54 S58 R59 | R53-S56 WeakPolarHBondContact O-CB 3.45Å; R53-S56 PolarHBondContact O-N 3.34Å; R53-S56 VanDerWaalsContact O-N 3.15Å; D54-S56 PolarHBondContact O-N 2.98Å; S56-S58 PolarHBondContact O-N 3.05Å; S56-S58 VanDerWaalsContact O-N 3.13Å; S56-S58 PolarHBondContact OG-OG 3.25Å; S56-R59 PolarHBondContact O-N 2.98Å; S56-R59 VanDerWaalsContact O-N 3.12Å |
| 57 | P | 93.1 | Very high | 94.4 | Very high | 73 Ų | 73 | 80.5 Ų | 80.5 | 47% | 0.474 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -63.4 | -20.7 | 177.5 | 25.8 | -34.5 | 0 | 0 | 0 | 112.8 | R59 Q60 | P57-R59 PolarHBondContact O-N 2.76Å; P57-R59 VanDerWaalsContact O-N 3.11Å; P57-Q60 WeakPolarHBondContact O-CB 3.12Å; P57-Q60 PolarHBondContact O-N 2.93Å |
| 58 | S | 94.6 | Very high | 94.4 | Very high | 100 Ų | 100 | 74.7 Ų | 74.7 | 70% | 0.699 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -60.9 | -19.7 | 175.2 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | S56 | S56-S58 PolarHBondContact O-N 3.05Å; S56-S58 VanDerWaalsContact O-N 3.13Å; S56-S58 PolarHBondContact OG-OG 3.25Å |
| 59 | R | 94.3 | Very high | 94.3 | Very high | 112 Ų | 112 | 76.2 Ų | 76.2 | 42% | 0.423 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -90.2 | -8.2 | 179 | -62.6 | -179.4 | 63.9 | 77.7 | -2.3 | 113.1 | R13 R53 D54 S56 P57 | R13-R59 PolarHBondContact NH1-O 3.05Å; R53-R59 WeakPolarHBondContact O-CD 3.29Å; D54-R59 IonicContact OD1-CZ 3.22Å; D54-R59 IonicContact OD1-NE 3.42Å; D54-R59 PolarHBondContact OD1-NE 3.13Å; D54-R59 IonicContact OD1-NH2 3.1Å; D54-R59 PolarHBondContact OD1-NH2 2.98Å; S56-R59 PolarHBondContact O-N 2.98Å; S56-R59 VanDerWaalsContact O-N 3.12Å; P57-R59 PolarHBondContact O-N 2.76Å; P57-R59 VanDerWaalsContact O-N 3.11Å |
| 60 | Q | 94.4 | Very high | 94.3 | Very high | 61 Ų | 61 | 71.4 Ų | 71.4 | 29% | 0.285 | 34% | 0.344 | S | S | . | . | trans | -76.8 | 154.3 | 173.7 | -61.2 | 179.8 | 13 | 0 | 0 | 110.3 | E10 R13 P57 | E10-Q60 WeakPolarHBondContact OE1-CA 3.42Å; E10-Q60 WeakPolarHBondContact OE1-CB 3.33Å; R13-Q60 HydrophobicContact CB-CG 4.27Å; P57-Q60 WeakPolarHBondContact O-CB 3.12Å; P57-Q60 PolarHBondContact O-N 2.93Å | ||
| 61 | R | 94.5 | Very high | 94.3 | Very high | 119 Ų | 119 | 71.5 Ų | 71.5 | 45% | 0.449 | 34% | 0.336 | S | S | . | . | trans | -136.3 | 126.9 | 174.4 | -169.6 | 171.3 | -174.7 | 109.3 | -1.6 | 110.4 | E10 R63 P70 H71 | E10-R61 PolarHBondContact OE1-N 3.42Å; R61-R63 PolarHBondContact O-N 3Å; R61-P70 PolarHBondContact NE-O 3.06Å; R61-P70 PolarHBondContact NH2-O 3.28Å; R61-P70 VanDerWaalsContact NH2-O 3.16Å; R61-H71 PolarHBondContact NH2-CE1 2.8Å; R61-H71 VanDerWaalsContact NH2-CE1 3.35Å; R61-H71 PolarHBondContact NH2-ND1 3.27Å | ||
| 62 | N | 94.5 | Very high | 94.4 | Very high | 84 Ų | 84 | 72.6 Ų | 72.6 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | trans | -63.2 | 111.5 | 172.1 | -68.4 | -32.9 | 0 | 0 | 0 | 110.7 | F73 | N62-F73 HydrophobicContact CB-CB 4.48Å; N62-F73 HydrophobicContact CB-CD1 3.47Å; N62-F73 VanDerWaalsContact CB-CD1 3.47Å; N62-F73 HydrophobicContact CB-CD2 4.23Å; N62-F73 HydrophobicContact CB-CE1 3.54Å; N62-F73 HydrophobicContact CB-CE2 4.29Å; N62-F73 HydrophobicContact CB-CG 3.82Å; N62-F73 HydrophobicContact CB-CZ 3.96Å | ||
| 63 | R | 94.9 | Very high | 94.4 | Very high | 42 Ų | 42 | 72.6 Ų | 72.6 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | trans | -110.2 | 149.7 | 177.3 | -70.3 | 173.3 | 179.8 | -87.7 | -1.7 | 109.7 | E10 R61 R65 G68 P70 F73 | E10-R63 IonicContact OE2-NE 2.72Å; R61-R63 PolarHBondContact O-N 3Å; R63-R65 PolarHBondContact O-N 3.35Å; R63-G68 PolarHBondContact NH1-O 3.33Å; R63-P70 HydrophobicContact CG-CB 4.45Å; R63-F73 VanDerWaalsContact O-CE2 3.27Å; R63-F73 WeakPolarHBondContact O-CE2 3.47Å | ||
| 64 | C | 95.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | trans | -55.6 | 126.5 | 171.1 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | Q66 T67 G68 R69 S80 | C64-Q66 VanDerWaalsContact C-N 3.27Å; C64-Q66 PolarHBondContact O-N 3.16Å; C64-T67 WeakPolarHBondContact CB-OG1 3.2Å; C64-T67 PolarHBondContact SG-OG1 3.41Å; C64-G68 WeakPolarHBondContact O-CA 3.36Å; C64-G68 PolarHBondContact O-N 3.41Å; C64-R69 HydrophobicContact CB-CB 4.23Å; C64-R69 PolarHBondContact N-O 3.27Å; C64-S80 PolarHBondContact SG-N 2.65Å; C64-S80 PolarHBondContact SG-OG 2.95Å | ||
| 65 | R | 93 | Very high | 94.6 | Very high | 212 Ų | 212 | 73.7 Ų | 73.7 | 80% | 0.8 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -36.9 | -178.6 | -71.2 | 175.6 | 178.4 | 178.5 | -0.9 | 113.3 | R63 G78 L79 | R63-R65 PolarHBondContact O-N 3.35Å; R65-G78 WeakPolarHBondContact CG-O 3.49Å; R65-G78 PolarHBondContact N-O 3.06Å; R65-L79 HydrophobicContact CB-CD2 4.35Å |
| 66 | Q | 92.3 | Very high | 94.7 | Very high | 102 Ų | 102 | 82.8 Ų | 82.8 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -56.1 | 179.6 | -66 | 176 | -6.7 | 0 | 0 | 112.5 | K7 C64 L79 | K7-Q66 PolarHBondContact NZ-O 3.45Å; C64-Q66 VanDerWaalsContact C-N 3.27Å; C64-Q66 PolarHBondContact O-N 3.16Å; Q66-L79 HydrophobicContact CB-CD2 4.36Å; Q66-L79 HydrophobicContact CG-CD2 3.82Å |
| 67 | T | 93.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 84.9 Ų | 84.9 | 18% | 0.184 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -17.8 | -168.8 | 62.5 | 0 | 0 | 0 | 0 | 114.1 | K7 C64 R69 K83 | K7-T67 WeakPolarHBondContact CE-O 3.49Å; C64-T67 WeakPolarHBondContact CB-OG1 3.2Å; C64-T67 PolarHBondContact SG-OG1 3.41Å; T67-R69 PolarHBondContact O-N 2.81Å; T67-R69 WeakPolarHBondContact OG1-CB 3.27Å; T67-R69 PolarHBondContact OG1-N 3.26Å; T67-K83 HydrophobicContact CG2-CD 4.2Å; T67-K83 HydrophobicContact CG2-CG 3.75Å |
| 68 | G | 94.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 81.6 Ų | 81.6 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | trans | 72.8 | 7.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A2 R63 C64 P70 | A2-G68 VanDerWaalsContact CB-O 3.29Å; A2-G68 WeakPolarHBondContact CB-O 3.36Å; R63-G68 PolarHBondContact NH1-O 3.33Å; C64-G68 WeakPolarHBondContact O-CA 3.36Å; C64-G68 PolarHBondContact O-N 3.41Å; G68-P70 WeakPolarHBondContact O-CD 3.38Å | ||
| 69 | R | 94.7 | Very high | 94.9 | Very high | 66 Ų | 66 | 78 Ų | 78 | 25% | 0.249 | 35% | 0.35 | C | S | . | . | trans | -57.8 | 124.9 | -179.5 | -172.2 | 179.4 | -171.6 | -115.3 | 7.9 | 110 | C64 T67 H71 | C64-R69 HydrophobicContact CB-CB 4.23Å; C64-R69 PolarHBondContact N-O 3.27Å; T67-R69 PolarHBondContact O-N 2.81Å; T67-R69 WeakPolarHBondContact OG1-CB 3.27Å; T67-R69 PolarHBondContact OG1-N 3.26Å; R69-H71 PolarHBondContact NH1-O 3.25Å | ||
| 70 | P | 94.3 | Very high | 95 | Very high | 37 Ų | 37 | 72.7 Ų | 72.7 | 24% | 0.24 | 33% | 0.33 | C | S | . | . | trans | -86.7 | -3.5 | -174.6 | 32 | -34.5 | 0 | 0 | 0 | 114.9 | R61 R63 G68 | R61-P70 PolarHBondContact NE-O 3.06Å; R61-P70 PolarHBondContact NH2-O 3.28Å; R61-P70 VanDerWaalsContact NH2-O 3.16Å; R63-P70 HydrophobicContact CG-CB 4.45Å; G68-P70 WeakPolarHBondContact O-CD 3.38Å | ||
| 71 | H | 95.1 | Very high | 95.1 | Very high | 115 Ų | 115 | 77.3 Ų | 77.3 | 53% | 0.532 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -122.2 | 152.1 | -178.5 | -59.9 | -79.4 | 0 | 0 | 0 | 111.3 | R61 R69 F73 | R61-H71 PolarHBondContact NH2-CE1 2.8Å; R61-H71 VanDerWaalsContact NH2-CE1 3.35Å; R61-H71 PolarHBondContact NH2-ND1 3.27Å; R69-H71 PolarHBondContact NH1-O 3.25Å; H71-F73 VanDerWaalsContact C-N 3.34Å |
| 72 | G | 95.5 | Very high | 95.2 | Very high | 38 Ų | 38 | 75.3 Ų | 75.3 | 39% | 0.392 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 60.2 | 43.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S80 R81 | G72-S80 CarbonylContact O-C 3.47Å; G72-S80 VanDerWaalsContact O-CA 3.3Å; G72-S80 WeakPolarHBondContact O-CA 3.3Å; G72-R81 PolarHBondContact O-N 3.47Å |
| 73 | F | 97.1 | Very high | 95.2 | Very high | 49 Ų | 49 | 73.9 Ų | 73.9 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125 | 175 | 176.7 | -94.1 | 0 | 0 | 0 | 109.6 | N62 R63 H71 R75 G78 | N62-F73 HydrophobicContact CB-CB 4.48Å; N62-F73 HydrophobicContact CB-CD1 3.47Å; N62-F73 VanDerWaalsContact CB-CD1 3.47Å; N62-F73 HydrophobicContact CB-CD2 4.23Å; N62-F73 HydrophobicContact CB-CE1 3.54Å; N62-F73 HydrophobicContact CB-CE2 4.29Å; N62-F73 HydrophobicContact CB-CG 3.82Å; N62-F73 HydrophobicContact CB-CZ 3.96Å; R63-F73 VanDerWaalsContact O-CE2 3.27Å; R63-F73 WeakPolarHBondContact O-CE2 3.47Å; H71-F73 VanDerWaalsContact C-N 3.34Å; F73-R75 HydrophobicContact CD1-CG 4.11Å; F73-R75 HydrophobicContact CE1-CB 4.3Å; F73-R75 HydrophobicContact CE1-CG 3.9Å; F73-G78 VanDerWaalsContact CE2-C 3.4Å; F73-G78 WeakPolarHBondContact CE2-O 3.15Å |
| 74 | L | 96.6 | Very high | 95.3 | Very high | 73 Ų | 73 | 72.3 Ų | 72.3 | 38% | 0.382 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 110.6 | 177 | -63.5 | 177 | 0 | 0 | 0 | 109.1 | K76 F77 G78 L79 V84 | L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 3.22Å; L74-F77 HydrophobicContact CB-CD2 3.79Å; L74-F77 HydrophobicContact CD1-CD2 3.93Å; L74-F77 HydrophobicContact CD1-CE2 4.23Å; L74-F77 PolarHBondContact O-N 2.95Å; L74-F77 VanDerWaalsContact O-N 3.08Å; L74-G78 PolarHBondContact O-N 2.83Å; L74-L79 PolarHBondContact N-O 2.98Å; L74-V84 HydrophobicContact CD1-CB 4.07Å; L74-V84 HydrophobicContact CD1-CG1 3.98Å; L74-V84 HydrophobicContact CD1-CG2 3.95Å |
| 75 | R | 96.1 | Very high | 95.4 | Very high | 209 Ų | 209 | 80.5 Ų | 80.5 | 79% | 0.789 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -40.4 | -173.6 | -66.7 | -176 | -177 | -167.8 | 1.3 | 112.9 | F73 F77 G78 | F73-R75 HydrophobicContact CD1-CG 4.11Å; F73-R75 HydrophobicContact CE1-CB 4.3Å; F73-R75 HydrophobicContact CE1-CG 3.9Å; R75-F77 PolarHBondContact O-N 3.33Å; R75-G78 PolarHBondContact O-N 3.5Å |
| 76 | K | 95.2 | Very high | 95.5 | Very high | 192 Ų | 192 | 74 Ų | 74 | 84% | 0.835 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -34.1 | 177.8 | -170.8 | 174 | -176.6 | 176.8 | 0 | 113.2 | L74 | L74-K76 VanDerWaalsContact C-N 3.31Å; L74-K76 PolarHBondContact O-N 3.22Å |
| 77 | F | 95.5 | Very high | 95.7 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 28% | 0.281 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -20.3 | -176.4 | -57 | -66.9 | 0 | 0 | 0 | 113.6 | L74 R75 L79 V84 I93 L96 | L74-F77 HydrophobicContact CB-CD2 3.79Å; L74-F77 HydrophobicContact CD1-CD2 3.93Å; L74-F77 HydrophobicContact CD1-CE2 4.23Å; L74-F77 PolarHBondContact O-N 2.95Å; L74-F77 VanDerWaalsContact O-N 3.08Å; R75-F77 PolarHBondContact O-N 3.33Å; F77-L79 HydrophobicContact CB-CB 4.4Å; F77-L79 PolarHBondContact O-N 2.97Å; F77-V84 HydrophobicContact CB-CG2 3.75Å; F77-V84 HydrophobicContact CD2-CB 4.48Å; F77-V84 HydrophobicContact CD2-CG1 3.76Å; F77-V84 HydrophobicContact CD2-CG2 3.85Å; F77-V84 HydrophobicContact CE2-CG1 3.86Å; F77-V84 HydrophobicContact CG-CG1 4.23Å; F77-V84 HydrophobicContact CG-CG2 3.95Å; F77-V84 HydrophobicContact CZ-CG1 4.41Å; F77-I93 HydrophobicContact CD1-CD1 4.21Å; F77-I93 HydrophobicContact CD1-CG2 4.18Å; F77-I93 HydrophobicContact CE1-CD1 4.24Å; F77-I93 HydrophobicContact CE1-CG2 3.62Å; F77-L96 HydrophobicContact CE1-CD2 4.48Å; F77-L96 HydrophobicContact CZ-CD1 4.38Å; F77-L96 HydrophobicContact CZ-CD2 4.19Å |
| 78 | G | 95.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 16.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | R65 F73 L74 R75 | R65-G78 WeakPolarHBondContact CG-O 3.49Å; R65-G78 PolarHBondContact N-O 3.06Å; F73-G78 VanDerWaalsContact CE2-C 3.4Å; F73-G78 WeakPolarHBondContact CE2-O 3.15Å; L74-G78 PolarHBondContact O-N 2.83Å; R75-G78 PolarHBondContact O-N 3.5Å |
| 79 | L | 96.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 75.2 Ų | 75.2 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 161.6 | -172.5 | -67 | 176.7 | 0 | 0 | 0 | 111.7 | R65 Q66 L74 F77 K83 V84 | R65-L79 HydrophobicContact CB-CD2 4.35Å; Q66-L79 HydrophobicContact CB-CD2 4.36Å; Q66-L79 HydrophobicContact CG-CD2 3.82Å; L74-L79 PolarHBondContact N-O 2.98Å; F77-L79 HydrophobicContact CB-CB 4.4Å; F77-L79 PolarHBondContact O-N 2.97Å; L79-K83 HydrophobicContact CB-CB 4.38Å; L79-V84 HydrophobicContact CB-CG2 3.61Å |
| 80 | S | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 79.1 Ų | 79.1 | 1% | 0.007 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 150.8 | 169.7 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | C64 G72 I82 K83 V84 | C64-S80 PolarHBondContact SG-N 2.65Å; C64-S80 PolarHBondContact SG-OG 2.95Å; G72-S80 CarbonylContact O-C 3.47Å; G72-S80 VanDerWaalsContact O-CA 3.3Å; G72-S80 WeakPolarHBondContact O-CA 3.3Å; S80-I82 PolarHBondContact O-N 3.43Å; S80-K83 PolarHBondContact O-N 2.99Å; S80-V84 PolarHBondContact O-N 3.08Å |
| 81 | R | 96.1 | Very high | 95.9 | Very high | 157 Ų | 157 | 80.2 Ų | 80.2 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -45.7 | -35.6 | 175.1 | 73.4 | 179.4 | -171.8 | 176.7 | 3.1 | 114.8 | G72 R85 | G72-R81 PolarHBondContact O-N 3.47Å; R81-R85 WeakPolarHBondContact O-CB 3.44Å; R81-R85 PolarHBondContact O-N 3.15Å |
| 82 | I | 96.4 | Very high | 96 | Very high | 78 Ų | 78 | 79.8 Ų | 79.8 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.2 | -51.7 | -179.4 | -57.8 | 173.2 | 0 | 0 | 0 | 109.8 | S80 V84 R85 E86 | S80-I82 PolarHBondContact O-N 3.43Å; I82-V84 VanDerWaalsContact C-N 3.32Å; I82-V84 PolarHBondContact O-N 2.92Å; I82-R85 WeakPolarHBondContact O-CB 3.43Å; I82-R85 PolarHBondContact O-N 2.92Å; I82-R85 VanDerWaalsContact O-N 3.15Å; I82-E86 WeakPolarHBondContact CG2-OE1 3.45Å; I82-E86 WeakPolarHBondContact O-CG 3.42Å; I82-E86 PolarHBondContact O-N 2.66Å |
| 83 | K | 95.9 | Very high | 95.9 | Very high | 53 Ų | 53 | 79.3 Ų | 79.3 | 23% | 0.23 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.2 | -33.4 | 176.3 | -70.7 | -53.7 | -170.5 | -177.8 | 0 | 113.4 | T67 L79 S80 E86 A87 | T67-K83 HydrophobicContact CG2-CD 4.2Å; T67-K83 HydrophobicContact CG2-CG 3.75Å; L79-K83 HydrophobicContact CB-CB 4.38Å; S80-K83 PolarHBondContact O-N 2.99Å; K83-E86 WeakPolarHBondContact CD-OE2 3.5Å; K83-E86 WeakPolarHBondContact CE-OE2 3.27Å; K83-E86 IonicContact NZ-OE1 3.35Å; K83-E86 IonicContact NZ-OE2 3.59Å; K83-E86 PolarHBondContact NZ-OE2 3.35Å; K83-E86 PolarHBondContact O-N 3.08Å; K83-A87 VanDerWaalsContact O-CB 3.27Å; K83-A87 WeakPolarHBondContact O-CB 3.44Å; K83-A87 PolarHBondContact O-N 3.27Å |
| 84 | V | 96.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 82.9 Ų | 82.9 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 171.9 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | L74 F77 L79 S80 I82 A87 A88 I93 | L74-V84 HydrophobicContact CD1-CB 4.07Å; L74-V84 HydrophobicContact CD1-CG1 3.98Å; L74-V84 HydrophobicContact CD1-CG2 3.95Å; F77-V84 HydrophobicContact CB-CG2 3.75Å; F77-V84 HydrophobicContact CD2-CB 4.48Å; F77-V84 HydrophobicContact CD2-CG1 3.76Å; F77-V84 HydrophobicContact CD2-CG2 3.85Å; F77-V84 HydrophobicContact CE2-CG1 3.86Å; F77-V84 HydrophobicContact CG-CG1 4.23Å; F77-V84 HydrophobicContact CG-CG2 3.95Å; F77-V84 HydrophobicContact CZ-CG1 4.41Å; L79-V84 HydrophobicContact CB-CG2 3.61Å; S80-V84 PolarHBondContact O-N 3.08Å; I82-V84 VanDerWaalsContact C-N 3.32Å; I82-V84 PolarHBondContact O-N 2.92Å; V84-A87 PolarHBondContact O-N 3.3Å; V84-A88 WeakPolarHBondContact O-CB 3.24Å; V84-A88 PolarHBondContact O-N 3.46Å; V84-I93 HydrophobicContact CG1-CD1 4.02Å |
| 85 | R | 96.3 | Very high | 95.8 | Very high | 174 Ų | 174 | 83.3 Ų | 83.3 | 66% | 0.657 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.3 | -48.3 | 174.2 | 178 | -177.4 | 169.8 | 93.5 | -0.5 | 111.7 | R81 I82 A88 M89 | R81-R85 WeakPolarHBondContact O-CB 3.44Å; R81-R85 PolarHBondContact O-N 3.15Å; I82-R85 WeakPolarHBondContact O-CB 3.43Å; I82-R85 PolarHBondContact O-N 2.92Å; I82-R85 VanDerWaalsContact O-N 3.15Å; R85-A88 PolarHBondContact O-N 2.89Å; R85-M89 HydrophobicContact CG-CG 4.45Å; R85-M89 VanDerWaalsContact O-CG 3.24Å; R85-M89 WeakPolarHBondContact O-CG 3.18Å; R85-M89 PolarHBondContact O-N 3.43Å |
| 86 | E | 96.5 | Very high | 95.7 | Very high | 75 Ų | 75 | 76.9 Ų | 76.9 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 178.6 | -70.7 | 170 | -156.5 | 0 | 0 | 112 | I82 K83 M89 R90 | I82-E86 WeakPolarHBondContact CG2-OE1 3.45Å; I82-E86 WeakPolarHBondContact O-CG 3.42Å; I82-E86 PolarHBondContact O-N 2.66Å; K83-E86 WeakPolarHBondContact CD-OE2 3.5Å; K83-E86 WeakPolarHBondContact CE-OE2 3.27Å; K83-E86 IonicContact NZ-OE1 3.35Å; K83-E86 IonicContact NZ-OE2 3.59Å; K83-E86 PolarHBondContact NZ-OE2 3.35Å; K83-E86 PolarHBondContact O-N 3.08Å; E86-M89 PolarHBondContact O-N 3.38Å; E86-R90 WeakPolarHBondContact O-CG 3.35Å; E86-R90 PolarHBondContact O-N 2.86Å; E86-R90 VanDerWaalsContact O-N 3.09Å |
| 87 | A | 96.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 76.3 Ų | 76.3 | 6% | 0.058 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K83 V84 R90 G91 E92 I93 | K83-A87 VanDerWaalsContact O-CB 3.27Å; K83-A87 WeakPolarHBondContact O-CB 3.44Å; K83-A87 PolarHBondContact O-N 3.27Å; V84-A87 PolarHBondContact O-N 3.3Å; A87-R90 PolarHBondContact O-N 3.47Å; A87-G91 PolarHBondContact O-N 2.89Å; A87-E92 HydrophobicContact CB-CB 4.37Å; A87-E92 PolarHBondContact O-N 2.97Å; A87-I93 HydrophobicContact CB-CD1 3.86Å; A87-I93 HydrophobicContact CB-CG1 3.92Å |
| 88 | A | 96.4 | Very high | 95.7 | Very high | 29 Ų | 29 | 82.3 Ų | 82.3 | 24% | 0.24 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V84 R85 R90 G91 I93 L96 | V84-A88 WeakPolarHBondContact O-CB 3.24Å; V84-A88 PolarHBondContact O-N 3.46Å; R85-A88 PolarHBondContact O-N 2.89Å; A88-R90 VanDerWaalsContact C-N 3.27Å; A88-R90 PolarHBondContact O-N 3.09Å; A88-G91 PolarHBondContact O-N 3.19Å; A88-G91 VanDerWaalsContact O-N 3.12Å; A88-I93 HydrophobicContact CB-CD1 4.4Å; A88-L96 HydrophobicContact CB-CD2 3.52Å; A88-L96 HydrophobicContact CB-CG 4.36Å |
| 89 | M | 95.3 | Very high | 95.6 | Very high | 124 Ų | 124 | 85.9 Ų | 85.9 | 61% | 0.611 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.7 | -27.5 | 178.3 | -67 | -66.5 | 153.7 | 0 | 0 | 112.4 | R85 E86 G91 | R85-M89 HydrophobicContact CG-CG 4.45Å; R85-M89 VanDerWaalsContact O-CG 3.24Å; R85-M89 WeakPolarHBondContact O-CG 3.18Å; R85-M89 PolarHBondContact O-N 3.43Å; E86-M89 PolarHBondContact O-N 3.38Å; M89-G91 VanDerWaalsContact C-N 3.31Å |
| 90 | R | 95.9 | Very high | 95.7 | Very high | 148 Ų | 148 | 90.3 Ų | 90.3 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -4.1 | 172.6 | -69.7 | -173.8 | -66 | 159.6 | 6.8 | 113.9 | E86 A87 A88 E92 | E86-R90 WeakPolarHBondContact O-CG 3.35Å; E86-R90 PolarHBondContact O-N 2.86Å; E86-R90 VanDerWaalsContact O-N 3.09Å; A87-R90 PolarHBondContact O-N 3.47Å; A88-R90 VanDerWaalsContact C-N 3.27Å; A88-R90 PolarHBondContact O-N 3.09Å; R90-E92 VanDerWaalsContact C-N 3.26Å; R90-E92 HydrophobicContact CB-CG 3.94Å; R90-E92 IonicContact CZ-OE1 3.75Å; R90-E92 IonicContact CZ-OE2 3.76Å; R90-E92 IonicContact NE-OE1 3.2Å; R90-E92 PolarHBondContact NE-OE1 3.35Å; R90-E92 IonicContact NE-OE2 3.9Å; R90-E92 IonicContact NH1-OE1 2.89Å; R90-E92 PolarHBondContact NH1-OE1 3.39Å; R90-E92 IonicContact NH1-OE2 3.93Å; R90-E92 IonicContact NH2-OE1 2.65Å; R90-E92 PolarHBondContact NH2-OE1 3.44Å; R90-E92 VanDerWaalsContact NH2-OE1 3.08Å; R90-E92 IonicContact NH2-OE2 3.55Å; R90-E92 PolarHBondContact NH2-OE2 3Å; R90-E92 PolarHBondContact O-N 3.42Å |
| 91 | G | 94.5 | Very high | 95.6 | Very high | 61 Ų | 61 | 104.7 Ų | 104.7 | 63% | 0.629 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 15.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A87 A88 M89 I93 | A87-G91 PolarHBondContact O-N 2.89Å; A88-G91 PolarHBondContact O-N 3.19Å; A88-G91 VanDerWaalsContact O-N 3.12Å; M89-G91 VanDerWaalsContact C-N 3.31Å; G91-I93 VanDerWaalsContact C-N 3.3Å; G91-I93 PolarHBondContact O-N 3.39Å |
| 92 | E | 95.7 | Very high | 95.6 | Very high | 105 Ų | 105 | 102.1 Ų | 102.1 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | trans | -78.2 | -14.3 | -176.7 | -64.9 | 173.4 | 166.5 | 0 | 0 | 113.1 | A87 R90 | A87-E92 HydrophobicContact CB-CB 4.37Å; A87-E92 PolarHBondContact O-N 2.97Å; R90-E92 VanDerWaalsContact C-N 3.26Å; R90-E92 HydrophobicContact CB-CG 3.94Å; R90-E92 IonicContact CZ-OE1 3.75Å; R90-E92 IonicContact CZ-OE2 3.76Å; R90-E92 IonicContact NE-OE1 3.2Å; R90-E92 PolarHBondContact NE-OE1 3.35Å; R90-E92 IonicContact NE-OE2 3.9Å; R90-E92 IonicContact NH1-OE1 2.89Å; R90-E92 PolarHBondContact NH1-OE1 3.39Å; R90-E92 IonicContact NH1-OE2 3.93Å; R90-E92 IonicContact NH2-OE1 2.65Å; R90-E92 PolarHBondContact NH2-OE1 3.44Å; R90-E92 VanDerWaalsContact NH2-OE1 3.08Å; R90-E92 IonicContact NH2-OE2 3.55Å; R90-E92 PolarHBondContact NH2-OE2 3Å; R90-E92 PolarHBondContact O-N 3.42Å | ||
| 93 | I | 94.8 | Very high | 95.6 | Very high | 28 Ų | 28 | 103.4 Ų | 103.4 | 14% | 0.144 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -99.9 | 112.3 | -178.7 | -57.6 | 177.1 | 0 | 0 | 0 | 109 | F77 V84 A87 A88 G91 G95 L96 | F77-I93 HydrophobicContact CD1-CD1 4.21Å; F77-I93 HydrophobicContact CD1-CG2 4.18Å; F77-I93 HydrophobicContact CE1-CD1 4.24Å; F77-I93 HydrophobicContact CE1-CG2 3.62Å; V84-I93 HydrophobicContact CG1-CD1 4.02Å; A87-I93 HydrophobicContact CB-CD1 3.86Å; A87-I93 HydrophobicContact CB-CG1 3.92Å; A88-I93 HydrophobicContact CB-CD1 4.4Å; G91-I93 VanDerWaalsContact C-N 3.3Å; G91-I93 PolarHBondContact O-N 3.39Å; I93-G95 PolarHBondContact O-N 3.12Å; I93-L96 HydrophobicContact CB-CB 3.94Å; I93-L96 HydrophobicContact CB-CD2 4.01Å; I93-L96 HydrophobicContact CD1-CD2 3.67Å; I93-L96 HydrophobicContact CG1-CD2 4.42Å; I93-L96 HydrophobicContact CG2-CB 3.62Å; I93-L96 HydrophobicContact CG2-CD2 3.88Å; I93-L96 HydrophobicContact CG2-CG 4.38Å; I93-L96 PolarHBondContact O-N 3.33Å |
| 94 | P | 96.1 | Very high | 95.6 | Very high | 124 Ų | 124 | 106.2 Ų | 106.2 | 81% | 0.805 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 132.2 | -176.1 | 24.4 | -32.9 | 0 | 0 | 0 | 111.6 | L96 | P94-L96 PolarHBondContact O-N 3.4Š|
| 95 | G | 94.2 | Very high | 95.5 | Very high | 83 Ų | 83 | 111.8 Ų | 111.8 | 86% | 0.856 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.3 | 1.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | I93 K97 | I93-G95 PolarHBondContact O-N 3.12Å; G95-K97 PolarHBondContact O-N 3.21Å |
| 96 | L | 95.3 | Very high | 95.5 | Very high | 74 Ų | 74 | 107.9 Ų | 107.9 | 39% | 0.387 | 59% | 0.585 | S | S | . | * | trans | -85 | 108.8 | 178.2 | -174.4 | 64.8 | 0 | 0 | 0 | 110.5 | F77 A88 I93 P94 | F77-L96 HydrophobicContact CE1-CD2 4.48Å; F77-L96 HydrophobicContact CZ-CD1 4.38Å; F77-L96 HydrophobicContact CZ-CD2 4.19Å; A88-L96 HydrophobicContact CB-CD2 3.52Å; A88-L96 HydrophobicContact CB-CG 4.36Å; I93-L96 HydrophobicContact CB-CB 3.94Å; I93-L96 HydrophobicContact CB-CD2 4.01Å; I93-L96 HydrophobicContact CD1-CD2 3.67Å; I93-L96 HydrophobicContact CG1-CD2 4.42Å; I93-L96 HydrophobicContact CG2-CB 3.62Å; I93-L96 HydrophobicContact CG2-CD2 3.88Å; I93-L96 HydrophobicContact CG2-CG 4.38Å; I93-L96 PolarHBondContact O-N 3.33Å; P94-L96 PolarHBondContact O-N 3.4Å | ||
| 97 | K | 93.8 | Very high | 95.4 | Very high | 179 Ų | 179 | 110.1 Ų | 110.1 | 78% | 0.778 | 60% | 0.601 | S | S | * | * | trans | -124.4 | 157.3 | 176.4 | 62.5 | -178.6 | -179.7 | 179.1 | 0 | 111.5 | G95 | G95-K97 PolarHBondContact O-N 3.21Š| ||
| 98 | K | 95.7 | Very high | 95.3 | Very high | 190 Ų | 190 | 117.5 Ų | 117.5 | 83% | 0.826 | 64% | 0.639 | S | S | * | * | trans | -64.5 | 135.2 | 163.1 | -67.2 | 177.2 | 66.9 | -173.3 | 0 | 107.8 | ||||
| 99 | A | 94.7 | Very high | 95.3 | Very high | 79 Ų | 79 | 124.3 Ų | 124.3 | 65% | 0.653 | 67% | 0.67 | S | S | * | * | trans | -118.5 | 154.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 100 | S | 96.8 | Very high | 95.3 | Very high | 118 Ų | 118 | 124.3 Ų | 124.3 | 83% | 0.825 | 68% | 0.675 | S | S | * | * | trans | -122.9 | 148 | 164.9 | 52.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 101 | W | 95.8 | Very high | 95.2 | Very high | 303 Ų | 303 | 122.2 Ų | 122.2 | 100% | 1.148 | 69% | 0.686 | S | S | * | * | trans | -133.3 | 0 | 172.9 | 58 | 80.7 | 0 | 0 | 0 | 109 |
Retrieved 101 of 101 residues in 51.5 ms
(Link to these results)