| 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 | 37 | Very low | 81.2 | Confident | 241 Ų | 241 | 109.7 Ų | 109.7 | 100% | 1.187 | 58% | 0.575 | S | S | * | * | 0 | 124.5 | 0 | -59.4 | -170.3 | -162.3 | 0 | 0 | 106.4 | L3 | M1-L3 PolarHBondContact O-N 2.88Š| |||
| 2 | S | 55.1 | Low | 82.6 | Confident | 119 Ų | 119 | 103.9 Ų | 103.9 | 83% | 0.832 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 127.6 | 168.9 | 47.5 | 0 | 0 | 0 | 0 | 107.5 | E4 | S2-E4 PolarHBondContact O-N 3.12Š|
| 3 | L | 68.8 | Low | 83.7 | Confident | 171 Ų | 171 | 105 Ų | 105 | 90% | 0.895 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 129.8 | 167.4 | -88.8 | 115.1 | 0 | 0 | 0 | 107.9 | M1 D5 | M1-L3 PolarHBondContact O-N 2.88Å; L3-D5 PolarHBondContact O-N 3.42Å |
| 4 | E | 80.9 | Confident | 84.8 | Confident | 170 Ų | 170 | 97.5 Ų | 97.5 | 79% | 0.794 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 133.5 | 171.3 | -170.8 | 157.6 | -171.9 | 0 | 0 | 108.5 | S2 P6 | S2-E4 PolarHBondContact O-N 3.12Å; E4-P6 WeakPolarHBondContact O-CD 3.39Å |
| 5 | D | 87.4 | Confident | 85.7 | Confident | 52 Ų | 52 | 94.4 Ų | 94.4 | 28% | 0.278 | 50% | 0.502 | S | S | . | . | trans | -67.5 | 115.3 | -174.4 | -170.7 | -35 | 0 | 0 | 0 | 109.6 | L3 F7 F8 R88 | L3-D5 PolarHBondContact O-N 3.42Å; D5-F7 PolarHBondContact O-N 2.92Å; D5-F7 WeakPolarHBondContact OD1-CB 3.24Å; D5-F7 PolarHBondContact OD1-N 3.3Å; D5-F8 HydrophobicContact CB-CD2 4Å; D5-F8 HydrophobicContact CB-CE2 4.07Å; D5-F8 PolarHBondContact O-N 3.08Å; D5-R88 IonicContact OD1-NH1 2.88Å; D5-R88 PolarHBondContact OD1-NH1 3.1Å; D5-R88 IonicContact OD1-NH2 2.84Å; D5-R88 IonicContact OD2-CZ 2.57Å; D5-R88 IonicContact OD2-NH1 2.99Å; D5-R88 PolarHBondContact OD2-NH1 3.27Å; D5-R88 IonicContact OD2-NH2 3.19Å; D5-R88 PolarHBondContact OD2-NH2 2.77Å | ||
| 6 | P | 91 | Very high | 86.5 | Confident | 93 Ų | 93 | 98.1 Ų | 98.1 | 60% | 0.604 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -17.8 | -175 | 27.1 | -35.3 | 0 | 0 | 0 | 112.7 | E4 F8 V9 V10 | E4-P6 WeakPolarHBondContact O-CD 3.39Å; P6-F8 PolarHBondContact O-N 2.91Å; P6-V9 PolarHBondContact O-N 3.39Å; P6-V9 VanDerWaalsContact O-N 3.16Å; P6-V10 PolarHBondContact O-N 3.39Å |
| 7 | F | 93.7 | Very high | 87.2 | Confident | 10 Ų | 10 | 94.3 Ų | 94.3 | 4% | 0.044 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -52 | -41 | 176.1 | 179.3 | -92.7 | 0 | 0 | 0 | 112.3 | D5 V9 V10 R11 L64 R88 F91 | D5-F7 PolarHBondContact O-N 2.92Å; D5-F7 WeakPolarHBondContact OD1-CB 3.24Å; D5-F7 PolarHBondContact OD1-N 3.3Å; F7-V9 VanDerWaalsContact C-N 3.33Å; F7-V9 PolarHBondContact O-N 3.38Å; F7-V10 PolarHBondContact O-N 3.31Å; F7-R11 HydrophobicContact CD1-CB 4.44Å; F7-R11 HydrophobicContact CE1-CB 4.17Å; F7-R11 HydrophobicContact CE1-CG 4.39Å; F7-R11 WeakPolarHBondContact O-CB 3.38Å; F7-R11 PolarHBondContact O-N 3Å; F7-L64 HydrophobicContact CD2-CD2 3.69Å; F7-L64 HydrophobicContact CE2-CD2 3.81Å; F7-R88 HydrophobicContact CD1-CG 3.98Å; F7-R88 HydrophobicContact CD2-CG 4.24Å; F7-R88 HydrophobicContact CE1-CB 4.04Å; F7-R88 HydrophobicContact CE1-CG 3.48Å; F7-R88 VanDerWaalsContact CE1-CG 3.48Å; F7-R88 HydrophobicContact CE2-CB 3.73Å; F7-R88 HydrophobicContact CE2-CG 3.78Å; F7-R88 HydrophobicContact CG-CG 4.35Å; F7-R88 HydrophobicContact CZ-CB 3.43Å; F7-R88 VanDerWaalsContact CZ-CB 3.43Å; F7-R88 HydrophobicContact CZ-CG 3.39Å; F7-F91 HydrophobicContact CZ-CD1 4.28Å |
| 8 | F | 93 | Very high | 87.9 | Confident | 108 Ų | 108 | 89.1 Ų | 89.1 | 47% | 0.474 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.7 | -29.2 | -175.2 | -65.5 | -70.8 | 0 | 0 | 0 | 113.3 | D5 P6 G12 | D5-F8 HydrophobicContact CB-CD2 4Å; D5-F8 HydrophobicContact CB-CE2 4.07Å; D5-F8 PolarHBondContact O-N 3.08Å; P6-F8 PolarHBondContact O-N 2.91Å; F8-G12 PolarHBondContact O-N 3.12Å; F8-G12 VanDerWaalsContact O-N 3.17Å |
| 9 | V | 94.3 | Very high | 88.4 | Confident | 86 Ų | 86 | 88.7 Ų | 88.7 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.9 | -54.6 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | P6 F7 R11 G12 E13 | P6-V9 PolarHBondContact O-N 3.39Å; P6-V9 VanDerWaalsContact O-N 3.16Å; F7-V9 VanDerWaalsContact C-N 3.33Å; F7-V9 PolarHBondContact O-N 3.38Å; V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.13Å; V9-G12 WeakPolarHBondContact O-CA 3.5Å; V9-G12 PolarHBondContact O-N 3.48Å; V9-E13 PolarHBondContact O-N 3.21Å |
| 10 | V | 96.1 | Very high | 88.9 | Confident | 44 Ų | 44 | 88.6 Ų | 88.6 | 27% | 0.267 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | P6 F7 G12 E13 V14 L64 | P6-V10 PolarHBondContact O-N 3.39Å; F7-V10 PolarHBondContact O-N 3.31Å; V10-G12 VanDerWaalsContact C-N 3.27Å; V10-G12 PolarHBondContact O-N 3.39Å; V10-E13 PolarHBondContact O-N 2.84Å; V10-E13 VanDerWaalsContact O-N 3.13Å; V10-V14 HydrophobicContact CG1-CG2 4.14Å; V10-V14 WeakPolarHBondContact O-CB 3.43Å; V10-V14 WeakPolarHBondContact O-CG2 3.4Å; V10-V14 PolarHBondContact O-N 3.48Å; V10-L64 HydrophobicContact CB-CD2 4.12Å; V10-L64 HydrophobicContact CG1-CD1 4.16Å; V10-L64 HydrophobicContact CG1-CD2 3.78Å; V10-L64 HydrophobicContact CG1-CG 4.03Å |
| 11 | R | 96.4 | Very high | 89.4 | Confident | 113 Ų | 113 | 84.5 Ų | 84.5 | 43% | 0.426 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -53.6 | -44.9 | 171.8 | 178.6 | -172.9 | -177.3 | -100.2 | 2.3 | 111.9 | F7 V9 Q15 F91 | F7-R11 HydrophobicContact CD1-CB 4.44Å; F7-R11 HydrophobicContact CE1-CB 4.17Å; F7-R11 HydrophobicContact CE1-CG 4.39Å; F7-R11 WeakPolarHBondContact O-CB 3.38Å; F7-R11 PolarHBondContact O-N 3Å; V9-R11 VanDerWaalsContact C-N 3.3Å; V9-R11 PolarHBondContact O-N 3.13Å; R11-Q15 VanDerWaalsContact O-CB 3.26Å; R11-Q15 WeakPolarHBondContact O-CB 3.36Å; R11-Q15 PolarHBondContact O-N 2.95Å; R11-F91 HydrophobicContact CB-CE1 4.15Å; R11-F91 HydrophobicContact CB-CZ 4.23Å; R11-F91 HydrophobicContact CG-CD1 3.99Å; R11-F91 HydrophobicContact CG-CD2 3.96Å; R11-F91 HydrophobicContact CG-CE1 3.7Å; R11-F91 HydrophobicContact CG-CE2 3.65Å; R11-F91 HydrophobicContact CG-CG 4.12Å; R11-F91 HydrophobicContact CG-CZ 3.51Å; R11-F91 WeakPolarHBondContact O-CZ 3.36Å |
| 12 | G | 97 | Very high | 92.3 | Very high | 40 Ų | 40 | 77 Ų | 77 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F8 V9 V10 Q15 K16 | F8-G12 PolarHBondContact O-N 3.12Å; F8-G12 VanDerWaalsContact O-N 3.17Å; V9-G12 WeakPolarHBondContact O-CA 3.5Å; V9-G12 PolarHBondContact O-N 3.48Å; V10-G12 VanDerWaalsContact C-N 3.27Å; V10-G12 PolarHBondContact O-N 3.39Å; G12-Q15 PolarHBondContact O-N 3.45Å; G12-K16 WeakPolarHBondContact O-CB 3.25Å; G12-K16 PolarHBondContact O-N 2.94Å |
| 13 | E | 98 | Very high | 94.4 | Very high | 118 Ų | 118 | 73 Ų | 73 | 55% | 0.551 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.5 | -49.2 | 178.2 | -68.3 | 176.1 | 163.7 | 0 | 0 | 111.8 | V9 V10 Q15 K16 A17 | V9-E13 PolarHBondContact O-N 3.21Å; V10-E13 PolarHBondContact O-N 2.84Å; V10-E13 VanDerWaalsContact O-N 3.13Å; E13-Q15 VanDerWaalsContact C-N 3.33Å; E13-Q15 PolarHBondContact O-N 2.88Å; E13-K16 WeakPolarHBondContact O-CB 3.24Å; E13-K16 PolarHBondContact O-N 3.36Å; E13-K16 VanDerWaalsContact O-N 3.16Å; E13-A17 WeakPolarHBondContact O-CB 3.44Å; E13-A17 PolarHBondContact O-N 3.42Å |
| 14 | V | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58 | -46.2 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | V10 K16 A17 V18 I57 D60 L61 L64 F91 M95 | V10-V14 HydrophobicContact CG1-CG2 4.14Å; V10-V14 WeakPolarHBondContact O-CB 3.43Å; V10-V14 WeakPolarHBondContact O-CG2 3.4Å; V10-V14 PolarHBondContact O-N 3.48Å; V14-K16 VanDerWaalsContact C-N 3.28Å; V14-K16 PolarHBondContact O-N 2.85Å; V14-A17 PolarHBondContact O-N 3.31Å; V14-V18 HydrophobicContact CG1-CG2 4.43Å; V14-V18 WeakPolarHBondContact O-CG2 3.32Å; V14-V18 PolarHBondContact O-N 3.37Å; V14-I57 HydrophobicContact CG1-CG2 4.4Å; V14-D60 HydrophobicContact CG2-CB 3.6Å; V14-L61 HydrophobicContact CG1-CD2 3.83Å; V14-L61 HydrophobicContact CG1-CG 4.36Å; V14-L64 HydrophobicContact CG2-CD1 4.11Å; V14-F91 HydrophobicContact CB-CE1 4.48Å; V14-F91 HydrophobicContact CB-CZ 4.25Å; V14-F91 HydrophobicContact CG1-CE1 4.22Å; V14-F91 HydrophobicContact CG1-CZ 4.02Å; V14-M95 HydrophobicContact CG1-CB 4.39Å; V14-M95 HydrophobicContact CG1-CG 4.06Å |
| 15 | Q | 98.5 | Very high | 96.6 | Very high | 51 Ų | 51 | 60.3 Ų | 60.3 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 179.4 | -175.7 | 61 | 85.9 | 0 | 0 | 111.9 | R11 G12 E13 N19 F91 | R11-Q15 VanDerWaalsContact O-CB 3.26Å; R11-Q15 WeakPolarHBondContact O-CB 3.36Å; R11-Q15 PolarHBondContact O-N 2.95Å; G12-Q15 PolarHBondContact O-N 3.45Å; E13-Q15 VanDerWaalsContact C-N 3.33Å; E13-Q15 PolarHBondContact O-N 2.88Å; Q15-N19 PolarHBondContact NE2-OD1 2.96Å; Q15-N19 PolarHBondContact O-N 3.23Å; Q15-N19 VanDerWaalsContact O-N 3.16Å; Q15-N19 PolarHBondContact O-ND2 3.23Å; Q15-F91 HydrophobicContact CB-CE2 4.33Å; Q15-F91 HydrophobicContact CB-CZ 4.45Å |
| 16 | K | 98.6 | Very high | 97.1 | Very high | 153 Ų | 153 | 63.9 Ų | 63.9 | 67% | 0.665 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -66.7 | -47.1 | 175.6 | -176.8 | -175.7 | 175.8 | -171.6 | 0 | 111 | G12 E13 V14 V18 N19 T20 | G12-K16 WeakPolarHBondContact O-CB 3.25Å; G12-K16 PolarHBondContact O-N 2.94Å; E13-K16 WeakPolarHBondContact O-CB 3.24Å; E13-K16 PolarHBondContact O-N 3.36Å; E13-K16 VanDerWaalsContact O-N 3.16Å; V14-K16 VanDerWaalsContact C-N 3.28Å; V14-K16 PolarHBondContact O-N 2.85Å; K16-V18 PolarHBondContact O-N 3.1Å; K16-N19 PolarHBondContact O-N 2.94Å; K16-N19 VanDerWaalsContact O-N 3.15Å; K16-T20 PolarHBondContact O-N 2.78Å; K16-T20 PolarHBondContact O-OG1 3.21Å |
| 17 | A | 98.6 | Very high | 97.4 | Very high | 34 Ų | 34 | 62.6 Ų | 62.6 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E13 V14 N19 T20 A21 I57 | E13-A17 WeakPolarHBondContact O-CB 3.44Å; E13-A17 PolarHBondContact O-N 3.42Å; V14-A17 PolarHBondContact O-N 3.31Å; A17-N19 VanDerWaalsContact C-N 3.33Å; A17-N19 PolarHBondContact O-N 3.49Å; A17-T20 WeakPolarHBondContact O-CB 3.3Å; A17-T20 PolarHBondContact O-N 3.38Å; A17-A21 WeakPolarHBondContact O-CB 3.3Å; A17-A21 PolarHBondContact O-N 3.06Å; A17-I57 HydrophobicContact CB-CD1 3.99Å; A17-I57 HydrophobicContact CB-CG1 3.71Å |
| 18 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 174.8 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | V14 K16 A21 R22 I57 M95 A98 V99 | V14-V18 HydrophobicContact CG1-CG2 4.43Å; V14-V18 WeakPolarHBondContact O-CG2 3.32Å; V14-V18 PolarHBondContact O-N 3.37Å; K16-V18 PolarHBondContact O-N 3.1Å; V18-A21 PolarHBondContact O-N 2.89Å; V18-R22 WeakPolarHBondContact O-CG 3.42Å; V18-R22 PolarHBondContact O-N 3.31Å; V18-I57 HydrophobicContact CG2-CD1 3.98Å; V18-I57 HydrophobicContact CG2-CG1 4.45Å; V18-I57 HydrophobicContact CG2-CG2 3.7Å; V18-M95 HydrophobicContact CB-SD 4.09Å; V18-M95 HydrophobicContact CG1-SD 4.07Å; V18-M95 HydrophobicContact CG2-SD 3.87Å; V18-A98 HydrophobicContact CG1-CB 4.33Å; V18-V99 HydrophobicContact CG2-CG2 4.43Å |
| 19 | N | 98.6 | Very high | 97.5 | Very high | 82 Ų | 82 | 58.4 Ų | 58.4 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 177 | -71 | -22.1 | 0 | 0 | 0 | 112.1 | Q15 K16 A17 R22 G23 | Q15-N19 PolarHBondContact NE2-OD1 2.96Å; Q15-N19 PolarHBondContact O-N 3.23Å; Q15-N19 VanDerWaalsContact O-N 3.16Å; Q15-N19 PolarHBondContact O-ND2 3.23Å; K16-N19 PolarHBondContact O-N 2.94Å; K16-N19 VanDerWaalsContact O-N 3.15Å; A17-N19 VanDerWaalsContact C-N 3.33Å; A17-N19 PolarHBondContact O-N 3.49Å; N19-R22 PolarHBondContact O-N 3.4Å; N19-R22 PolarHBondContact OD1-NH1 2.82Å; N19-G23 PolarHBondContact O-N 2.88Å; N19-G23 VanDerWaalsContact O-N 3.16Å |
| 20 | T | 98.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 59 Ų | 59 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 172 | -64 | 0 | 0 | 0 | 0 | 111.3 | K16 A17 R22 G23 L24 | K16-T20 PolarHBondContact O-N 2.78Å; K16-T20 PolarHBondContact O-OG1 3.21Å; A17-T20 WeakPolarHBondContact O-CB 3.3Å; A17-T20 PolarHBondContact O-N 3.38Å; T20-R22 VanDerWaalsContact C-N 3.32Å; T20-R22 PolarHBondContact O-N 3.01Å; T20-G23 PolarHBondContact O-N 2.96Å; T20-G23 VanDerWaalsContact O-N 3.1Å; T20-L24 PolarHBondContact O-N 3.49Å |
| 21 | A | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A17 V18 G23 L24 Y25 L50 L54 I57 M102 | A17-A21 WeakPolarHBondContact O-CB 3.3Å; A17-A21 PolarHBondContact O-N 3.06Å; V18-A21 PolarHBondContact O-N 2.89Å; A21-G23 VanDerWaalsContact C-N 3.32Å; A21-G23 PolarHBondContact O-N 3.4Å; A21-L24 PolarHBondContact O-N 3.47Å; A21-Y25 VanDerWaalsContact O-CB 3.29Å; A21-Y25 WeakPolarHBondContact O-CB 3.46Å; A21-Y25 PolarHBondContact O-N 3.33Å; A21-L50 HydrophobicContact CB-CD1 4.12Å; A21-L50 WeakPolarHBondContact O-CD1 3.42Å; A21-L54 HydrophobicContact CB-CD2 4.11Å; A21-I57 HydrophobicContact CB-CD1 3.99Å; A21-M102 HydrophobicContact CB-CE 4.3Å |
| 22 | R | 98.6 | Very high | 96.8 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 173.2 | -78.1 | 175 | 173.6 | 146.8 | -0.7 | 112.8 | V18 N19 T20 Y25 Q26 A98 M102 | V18-R22 WeakPolarHBondContact O-CG 3.42Å; V18-R22 PolarHBondContact O-N 3.31Å; N19-R22 PolarHBondContact O-N 3.4Å; N19-R22 PolarHBondContact OD1-NH1 2.82Å; T20-R22 VanDerWaalsContact C-N 3.32Å; T20-R22 PolarHBondContact O-N 3.01Å; R22-Y25 PolarHBondContact O-N 3.3Å; R22-Q26 WeakPolarHBondContact O-CG 3.4Å; R22-Q26 PolarHBondContact O-N 3.05Å; R22-A98 VanDerWaalsContact NH2-CB 3.31Å; R22-M102 HydrophobicContact CG-CE 4.22Å; R22-M102 HydrophobicContact CG-SD 4.1Å |
| 23 | G | 98.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 58.9 Ų | 58.9 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N19 T20 A21 Y25 Q26 R27 | N19-G23 PolarHBondContact O-N 2.88Å; N19-G23 VanDerWaalsContact O-N 3.16Å; T20-G23 PolarHBondContact O-N 2.96Å; T20-G23 VanDerWaalsContact O-N 3.1Å; A21-G23 VanDerWaalsContact C-N 3.32Å; A21-G23 PolarHBondContact O-N 3.4Å; G23-Y25 VanDerWaalsContact C-N 3.32Å; G23-Y25 PolarHBondContact O-N 3.03Å; G23-Q26 PolarHBondContact O-N 3.37Å; G23-R27 PolarHBondContact O-N 3.33Å; G23-R27 VanDerWaalsContact O-N 3.09Å |
| 24 | L | 97.9 | Very high | 95.4 | Very high | 34 Ų | 34 | 56.6 Ų | 56.6 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.2 | -71.8 | 170.8 | 0 | 0 | 0 | 111.9 | T20 A21 R27 W28 W45 T46 E49 L50 | T20-L24 PolarHBondContact O-N 3.49Å; A21-L24 PolarHBondContact O-N 3.47Å; L24-R27 PolarHBondContact O-N 3.29Å; L24-W28 VanDerWaalsContact O-CB 3.29Å; L24-W28 WeakPolarHBondContact O-CB 3.47Å; L24-W28 PolarHBondContact O-N 3.45Å; L24-W45 HydrophobicContact CD2-CH2 4.37Å; L24-W45 HydrophobicContact CD2-CZ3 4.15Å; L24-T46 HydrophobicContact CB-CG2 4.49Å; L24-T46 HydrophobicContact CD2-CG2 4.35Å; L24-T46 WeakPolarHBondContact O-CG2 3.3Å; L24-E49 HydrophobicContact CD1-CB 4.35Å; L24-E49 HydrophobicContact CD1-CG 3.74Å; L24-E49 HydrophobicContact CD2-CG 4.43Å; L24-L50 HydrophobicContact CB-CB 4.4Å; L24-L50 HydrophobicContact CB-CD1 4.16Å |
| 25 | Y | 98.4 | Very high | 93.9 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | 177.2 | 171.7 | -107.4 | 0 | 0 | 0 | 112.9 | A21 R22 G23 W28 C29 L50 M102 H105 | A21-Y25 VanDerWaalsContact O-CB 3.29Å; A21-Y25 WeakPolarHBondContact O-CB 3.46Å; A21-Y25 PolarHBondContact O-N 3.33Å; R22-Y25 PolarHBondContact O-N 3.3Å; G23-Y25 VanDerWaalsContact C-N 3.32Å; G23-Y25 PolarHBondContact O-N 3.03Å; Y25-W28 HydrophobicContact CD2-CE3 4.1Å; Y25-W28 HydrophobicContact CE2-CE3 4.16Å; Y25-W28 HydrophobicContact CE2-CZ3 4.16Å; Y25-W28 WeakPolarHBondContact O-CB 3.38Å; Y25-W28 PolarHBondContact O-N 3.24Å; Y25-C29 PolarHBondContact O-N 3.13Å; Y25-C29 PolarHBondContact O-SG 3.37Å; Y25-L50 HydrophobicContact CD2-CD2 4.11Å; Y25-M102 HydrophobicContact CD1-CG 3.89Å; Y25-M102 HydrophobicContact CD1-SD 4.21Å; Y25-M102 HydrophobicContact CD2-CB 4.08Å; Y25-M102 HydrophobicContact CD2-CG 3.89Å; Y25-M102 HydrophobicContact CE1-CG 4.2Å; Y25-M102 HydrophobicContact CE2-CB 4.32Å; Y25-M102 HydrophobicContact CE2-CG 4.21Å; Y25-M102 HydrophobicContact CG-CB 4.37Å; Y25-M102 HydrophobicContact CG-CG 3.7Å; Y25-M102 HydrophobicContact CG-SD 3.89Å; Y25-H105 HydrophobicContact CE2-CB 4.04Å; Y25-H105 AromaticContact CE2-ND1 3.37Å; Y25-H105 WeakPolarHBondContact CE2-ND1 3.46Å; Y25-H105 AromaticContact CZ-ND1 3.4Å; Y25-H105 PolarHBondContact OH-ND1 3.4Å |
| 26 | Q | 97.8 | Very high | 92.3 | Very high | 126 Ų | 126 | 58.8 Ų | 58.8 | 59% | 0.589 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.1 | -48.6 | 173.3 | -75.5 | 174.7 | -23.1 | 0 | 0 | 111 | R22 G23 W28 C29 E30 | R22-Q26 WeakPolarHBondContact O-CG 3.4Å; R22-Q26 PolarHBondContact O-N 3.05Å; G23-Q26 PolarHBondContact O-N 3.37Å; Q26-W28 VanDerWaalsContact C-N 3.29Å; Q26-W28 PolarHBondContact O-N 2.85Å; Q26-C29 WeakPolarHBondContact O-CB 3.29Å; Q26-C29 PolarHBondContact O-N 3.45Å; Q26-C29 VanDerWaalsContact O-N 3.15Å; Q26-E30 WeakPolarHBondContact O-CG 3.36Å; Q26-E30 PolarHBondContact O-N 2.9Å; Q26-E30 VanDerWaalsContact O-N 3.08Å |
| 27 | R | 96.3 | Very high | 90.8 | Very high | 66 Ų | 66 | 55.6 Ų | 55.6 | 25% | 0.249 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 176.5 | -177.8 | 57.7 | -177.8 | 146.2 | 6.9 | 111.9 | G23 L24 C29 E30 L31 E34 E42 | G23-R27 PolarHBondContact O-N 3.33Å; G23-R27 VanDerWaalsContact O-N 3.09Å; L24-R27 PolarHBondContact O-N 3.29Å; R27-C29 PolarHBondContact O-N 3.08Å; R27-E30 WeakPolarHBondContact CD-OE2 3.4Å; R27-E30 IonicContact NH1-OE2 3.21Å; R27-E30 PolarHBondContact NH1-OE2 3.37Å; R27-E30 WeakPolarHBondContact O-CB 3.36Å; R27-E30 PolarHBondContact O-N 3.45Å; R27-L31 HydrophobicContact CG-CD1 4.03Å; R27-L31 WeakPolarHBondContact O-CG 3.38Å; R27-L31 PolarHBondContact O-N 3.08Å; R27-E34 IonicContact CZ-OE1 2.88Å; R27-E34 IonicContact NH1-OE1 3.29Å; R27-E34 PolarHBondContact NH1-OE1 3.41Å; R27-E34 IonicContact NH2-OE1 3.68Å; R27-E34 IonicContact NH2-OE2 3.59Å; R27-E42 IonicContact CZ-OE1 2.75Å; R27-E42 VanDerWaalsContact CZ-OE1 3.27Å; R27-E42 IonicContact CZ-OE2 3.27Å; R27-E42 IonicContact NE-OE1 2.96Å; R27-E42 PolarHBondContact NE-OE1 3.47Å; R27-E42 IonicContact NH2-OE1 3.84Å; R27-E42 PolarHBondContact NH2-OE1 3.41Å; R27-E42 IonicContact NH2-OE2 3.89Å; R27-E42 PolarHBondContact NH2-OE2 3.49Å |
| 28 | W | 95.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 175.1 | -179.4 | 82.3 | 0 | 0 | 0 | 112 | L24 Y25 Q26 E30 L31 L32 T46 T47 L50 H105 M106 A111 | L24-W28 VanDerWaalsContact O-CB 3.29Å; L24-W28 WeakPolarHBondContact O-CB 3.47Å; L24-W28 PolarHBondContact O-N 3.45Å; Y25-W28 HydrophobicContact CD2-CE3 4.1Å; Y25-W28 HydrophobicContact CE2-CE3 4.16Å; Y25-W28 HydrophobicContact CE2-CZ3 4.16Å; Y25-W28 WeakPolarHBondContact O-CB 3.38Å; Y25-W28 PolarHBondContact O-N 3.24Å; Q26-W28 VanDerWaalsContact C-N 3.29Å; Q26-W28 PolarHBondContact O-N 2.85Å; W28-E30 VanDerWaalsContact C-N 3.31Å; W28-E30 PolarHBondContact O-N 2.86Å; W28-L31 PolarHBondContact O-N 3.06Å; W28-L32 HydrophobicContact CD2-CD1 4.19Å; W28-L32 HydrophobicContact CD2-CG 4.39Å; W28-L32 HydrophobicContact CE3-CD1 3.95Å; W28-L32 HydrophobicContact CH2-CD1 3.38Å; W28-L32 HydrophobicContact CH2-CG 4.41Å; W28-L32 HydrophobicContact CZ2-CD1 3.64Å; W28-L32 HydrophobicContact CZ2-CD2 4.3Å; W28-L32 HydrophobicContact CZ2-CG 4.24Å; W28-L32 HydrophobicContact CZ3-CD1 3.54Å; W28-L32 WeakPolarHBondContact O-CG 3.34Å; W28-L32 PolarHBondContact O-N 3.2Å; W28-T46 HydrophobicContact CB-CG2 3.84Å; W28-T47 PolarHBondContact NE1-OG1 2.96Å; W28-L50 HydrophobicContact CB-CD2 4.38Å; W28-L50 HydrophobicContact CG-CD2 4.45Å; W28-H105 AromaticContact CZ3-CE1 3.8Å; W28-H105 AromaticContact CZ3-ND1 3.65Å; W28-M106 HydrophobicContact CH2-CB 4.3Å; W28-M106 HydrophobicContact CH2-CG 4Å; W28-M106 HydrophobicContact CZ2-CB 4.41Å; W28-M106 HydrophobicContact CZ2-CG 4.11Å; W28-M106 HydrophobicContact CZ3-CG 4.24Å; W28-A111 HydrophobicContact CH2-CB 3.64Å; W28-A111 HydrophobicContact CZ2-CB 4.1Å |
| 29 | C | 93.9 | Very high | 88.1 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 175.6 | -67.8 | 0 | 0 | 0 | 0 | 113 | Y25 Q26 R27 Q33 | Y25-C29 PolarHBondContact O-N 3.13Å; Y25-C29 PolarHBondContact O-SG 3.37Å; Q26-C29 WeakPolarHBondContact O-CB 3.29Å; Q26-C29 PolarHBondContact O-N 3.45Å; Q26-C29 VanDerWaalsContact O-N 3.15Å; R27-C29 PolarHBondContact O-N 3.08Å; C29-Q33 PolarHBondContact O-NE2 3.37Å |
| 30 | E | 92.8 | Very high | 87.3 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 46% | 0.463 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.6 | -45.2 | 175.1 | -67.4 | 168 | -179.3 | 0 | 0 | 111.2 | Q26 R27 W28 L32 Q33 E34 | Q26-E30 WeakPolarHBondContact O-CG 3.36Å; Q26-E30 PolarHBondContact O-N 2.9Å; Q26-E30 VanDerWaalsContact O-N 3.08Å; R27-E30 WeakPolarHBondContact CD-OE2 3.4Å; R27-E30 IonicContact NH1-OE2 3.21Å; R27-E30 PolarHBondContact NH1-OE2 3.37Å; R27-E30 WeakPolarHBondContact O-CB 3.36Å; R27-E30 PolarHBondContact O-N 3.45Å; W28-E30 VanDerWaalsContact C-N 3.31Å; W28-E30 PolarHBondContact O-N 2.86Å; E30-L32 PolarHBondContact O-N 3.48Å; E30-Q33 WeakPolarHBondContact O-CA 3.27Å; E30-Q33 WeakPolarHBondContact O-CB 3.42Å; E30-Q33 PolarHBondContact O-N 3.18Å; E30-E34 PolarHBondContact O-N 2.91Å |
| 31 | L | 90.6 | Very high | 86.8 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.7 | -28.4 | 178 | -72.8 | 165.4 | 0 | 0 | 0 | 112.7 | R27 W28 Q33 E34 E42 L43 | R27-L31 HydrophobicContact CG-CD1 4.03Å; R27-L31 WeakPolarHBondContact O-CG 3.38Å; R27-L31 PolarHBondContact O-N 3.08Å; W28-L31 PolarHBondContact O-N 3.06Å; L31-Q33 PolarHBondContact O-N 2.96Å; L31-E34 PolarHBondContact O-N 3.39Å; L31-E42 HydrophobicContact CD1-CB 4.39Å; L31-E42 HydrophobicContact CD1-CG 3.94Å; L31-E42 HydrophobicContact CD2-CB 4.38Å; L31-E42 HydrophobicContact CD2-CG 4.39Å; L31-L43 HydrophobicContact CB-CB 4.3Å; L31-L43 HydrophobicContact CB-CD1 3.78Å; L31-L43 HydrophobicContact CD1-CB 4.39Å |
| 32 | L | 87.7 | Confident | 86.5 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -8.9 | 170.5 | -69.5 | -175.1 | 0 | 0 | 0 | 114.2 | W28 E30 L43 A111 F114 L115 | W28-L32 HydrophobicContact CD2-CD1 4.19Å; W28-L32 HydrophobicContact CD2-CG 4.39Å; W28-L32 HydrophobicContact CE3-CD1 3.95Å; W28-L32 HydrophobicContact CH2-CD1 3.38Å; W28-L32 HydrophobicContact CH2-CG 4.41Å; W28-L32 HydrophobicContact CZ2-CD1 3.64Å; W28-L32 HydrophobicContact CZ2-CD2 4.3Å; W28-L32 HydrophobicContact CZ2-CG 4.24Å; W28-L32 HydrophobicContact CZ3-CD1 3.54Å; W28-L32 WeakPolarHBondContact O-CG 3.34Å; W28-L32 PolarHBondContact O-N 3.2Å; E30-L32 PolarHBondContact O-N 3.48Å; L32-L43 HydrophobicContact CD2-CD1 4.18Å; L32-A111 HydrophobicContact CD1-CB 4.18Å; L32-F114 VanDerWaalsContact C-CZ 3.49Å; L32-F114 HydrophobicContact CB-CD1 4.29Å; L32-F114 HydrophobicContact CB-CE1 4.39Å; L32-F114 HydrophobicContact CD2-CB 4.46Å; L32-F114 HydrophobicContact CD2-CD1 3.41Å; L32-F114 VanDerWaalsContact CD2-CD1 3.41Å; L32-F114 HydrophobicContact CD2-CE1 3.96Å; L32-F114 HydrophobicContact CD2-CG 4.16Å; L32-F114 HydrophobicContact CG-CD1 4.43Å; L32-F114 VanDerWaalsContact O-CD2 3.29Å; L32-F114 WeakPolarHBondContact O-CD2 3.24Å; L32-F114 WeakPolarHBondContact O-CE1 3.41Å; L32-F114 WeakPolarHBondContact O-CE2 3.28Å; L32-F114 WeakPolarHBondContact O-CZ 3.19Å; L32-L115 HydrophobicContact CD2-CD2 4.22Å; L32-L115 HydrophobicContact CD2-CG 4.33Å |
| 33 | Q | 83.7 | Confident | 86.1 | Confident | 167 Ų | 167 | 62.5 Ų | 62.5 | 78% | 0.78 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -16.5 | 175.9 | -60.8 | 175.1 | 38.9 | 0 | 0 | 112.1 | C29 E30 L31 | C29-Q33 PolarHBondContact O-NE2 3.37Å; E30-Q33 WeakPolarHBondContact O-CA 3.27Å; E30-Q33 WeakPolarHBondContact O-CB 3.42Å; E30-Q33 PolarHBondContact O-N 3.18Å; L31-Q33 PolarHBondContact O-N 2.96Å |
| 34 | E | 82.1 | Confident | 85.8 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 33% | 0.327 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -73.3 | 155.2 | 176.6 | -71.2 | 178.6 | -159.7 | 0 | 0 | 111.6 | R27 E30 L31 | R27-E34 IonicContact CZ-OE1 2.88Å; R27-E34 IonicContact NH1-OE1 3.29Å; R27-E34 PolarHBondContact NH1-OE1 3.41Å; R27-E34 IonicContact NH2-OE1 3.68Å; R27-E34 IonicContact NH2-OE2 3.59Å; E30-E34 PolarHBondContact O-N 2.91Å; L31-E34 PolarHBondContact O-N 3.39Å |
| 35 | S | 67.3 | Low | 85.7 | Confident | 87 Ų | 87 | 70.5 Ų | 70.5 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | trans | -66.4 | 136.2 | -177.8 | 179.7 | 0 | 0 | 0 | 0 | 111.5 | A37 V38 | S35-A37 PolarHBondContact O-N 2.92Å; S35-V38 PolarHBondContact O-N 2.9Å; S35-V38 VanDerWaalsContact O-O 3.04Å | ||
| 36 | A | 66.6 | Low | 85.5 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -43.4 | -28.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | N118 E121 | A36-N118 WeakPolarHBondContact CA-OD1 3.33Å; A36-N118 HydrophobicContact CB-CB 4.33Å; A36-N118 WeakPolarHBondContact CB-OD1 3.47Å; A36-N118 PolarHBondContact O-OD1 3.07Å; A36-N118 VanDerWaalsContact O-OD1 3.06Å; A36-E121 HydrophobicContact CB-CB 4.36Å; A36-E121 VanDerWaalsContact CB-OE2 3.28Å; A36-E121 WeakPolarHBondContact CB-OE2 3.24Å |
| 37 | A | 65.8 | Low | 85.4 | Confident | 85 Ų | 85 | 63 Ų | 63 | 70% | 0.702 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -22.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S35 | S35-A37 PolarHBondContact O-N 2.92Š|
| 38 | V | 64.9 | Low | 85.4 | Confident | 108 Ų | 108 | 64 Ų | 64 | 66% | 0.655 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -119.3 | 110.6 | -176.1 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | S35 | S35-V38 PolarHBondContact O-N 2.9Å; S35-V38 VanDerWaalsContact O-O 3.04Å |
| 39 | G | 76.1 | Confident | 85.5 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 24% | 0.237 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 107.3 | 10.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | E42 L43 | G39-E42 PolarHBondContact O-N 3.39Å; G39-L43 VanDerWaalsContact O-CB 3.26Å; G39-L43 WeakPolarHBondContact O-CB 3.44Å; G39-L43 PolarHBondContact O-N 2.99Å |
| 40 | R | 81.3 | Confident | 85.7 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 20% | 0.2 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62 | -52.2 | 175.9 | 174.3 | 177.7 | -64.9 | -128.3 | 0.8 | 113.4 | E42 L43 D44 N118 N119 I122 | R40-E42 PolarHBondContact O-N 2.57Å; R40-L43 CarbonylContact O-C 3.56Å; R40-L43 WeakPolarHBondContact O-CA 3.5Å; R40-L43 WeakPolarHBondContact O-CB 3.15Å; R40-L43 PolarHBondContact O-N 3.13Å; R40-D44 WeakPolarHBondContact CG-OD2 3.08Å; R40-D44 PolarHBondContact O-N 3.29Å; R40-N118 PolarHBondContact NH2-O 2.75Å; R40-N118 PolarHBondContact NH2-OD1 3.45Å; R40-N119 PolarHBondContact NH1-OD1 3.18Å; R40-I122 VanDerWaalsContact NE-CD1 3.26Å; R40-I122 VanDerWaalsContact NH2-CG1 3.34Å |
| 41 | E | 88.6 | Confident | 86 | Confident | 170 Ų | 170 | 67.2 Ų | 67.2 | 79% | 0.794 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.4 | -40.1 | -178.7 | -176.9 | -179.9 | 179.8 | 0 | 0 | 110.3 | W45 | E41-W45 VanDerWaalsContact O-CB 3.28Å; E41-W45 WeakPolarHBondContact O-CB 3.49Å; E41-W45 PolarHBondContact O-N 2.89Å |
| 42 | E | 92.1 | Very high | 86.4 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 173 | -165.2 | -176.9 | 171.7 | 0 | 0 | 111.7 | R27 L31 G39 R40 D44 W45 T46 | R27-E42 IonicContact CZ-OE1 2.75Å; R27-E42 VanDerWaalsContact CZ-OE1 3.27Å; R27-E42 IonicContact CZ-OE2 3.27Å; R27-E42 IonicContact NE-OE1 2.96Å; R27-E42 PolarHBondContact NE-OE1 3.47Å; R27-E42 IonicContact NH2-OE1 3.84Å; R27-E42 PolarHBondContact NH2-OE1 3.41Å; R27-E42 IonicContact NH2-OE2 3.89Å; R27-E42 PolarHBondContact NH2-OE2 3.49Å; L31-E42 HydrophobicContact CD1-CB 4.39Å; L31-E42 HydrophobicContact CD1-CG 3.94Å; L31-E42 HydrophobicContact CD2-CB 4.38Å; L31-E42 HydrophobicContact CD2-CG 4.39Å; G39-E42 PolarHBondContact O-N 3.39Å; R40-E42 PolarHBondContact O-N 2.57Å; E42-D44 PolarHBondContact O-N 3.22Å; E42-W45 PolarHBondContact O-N 2.92Å; E42-T46 VanDerWaalsContact O-CB 3.32Å; E42-T46 WeakPolarHBondContact O-CB 3.47Å; E42-T46 PolarHBondContact O-N 3.1Å; E42-T46 PolarHBondContact O-OG1 3.04Å |
| 43 | L | 91 | Very high | 86.9 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.7 | 178.1 | 62.1 | 0 | 0 | 0 | 112.3 | L31 L32 G39 R40 T47 L115 | L31-L43 HydrophobicContact CB-CB 4.3Å; L31-L43 HydrophobicContact CB-CD1 3.78Å; L31-L43 HydrophobicContact CD1-CB 4.39Å; L32-L43 HydrophobicContact CD2-CD1 4.18Å; G39-L43 VanDerWaalsContact O-CB 3.26Å; G39-L43 WeakPolarHBondContact O-CB 3.44Å; G39-L43 PolarHBondContact O-N 2.99Å; R40-L43 CarbonylContact O-C 3.56Å; R40-L43 WeakPolarHBondContact O-CA 3.5Å; R40-L43 WeakPolarHBondContact O-CB 3.15Å; R40-L43 PolarHBondContact O-N 3.13Å; L43-T47 WeakPolarHBondContact O-CB 3.31Å; L43-T47 PolarHBondContact O-N 3.36Å; L43-T47 PolarHBondContact O-OG1 3.44Å; L43-L115 HydrophobicContact CD1-CD2 4.49Å; L43-L115 HydrophobicContact CD2-CD2 3.65Å; L43-L115 HydrophobicContact CG-CD2 4.14Å |
| 44 | D | 90.9 | Very high | 87.6 | Confident | 89 Ų | 89 | 62 Ų | 62 | 48% | 0.476 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 177.6 | -71.8 | -23.7 | 0 | 0 | 0 | 110.3 | R40 E42 T47 N48 | R40-D44 WeakPolarHBondContact CG-OD2 3.08Å; R40-D44 PolarHBondContact O-N 3.29Å; E42-D44 PolarHBondContact O-N 3.22Å; D44-T47 PolarHBondContact O-N 2.91Å; D44-N48 WeakPolarHBondContact O-CB 3.49Å; D44-N48 PolarHBondContact O-N 3.14Å |
| 45 | W | 95.2 | Very high | 88.4 | Confident | 147 Ų | 147 | 64 Ų | 64 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.3 | -51.5 | 176.1 | -179.8 | 85.5 | 0 | 0 | 0 | 111.7 | L24 E41 E42 T47 N48 E49 | L24-W45 HydrophobicContact CD2-CH2 4.37Å; L24-W45 HydrophobicContact CD2-CZ3 4.15Å; E41-W45 VanDerWaalsContact O-CB 3.28Å; E41-W45 WeakPolarHBondContact O-CB 3.49Å; E41-W45 PolarHBondContact O-N 2.89Å; E42-W45 PolarHBondContact O-N 2.92Å; W45-T47 VanDerWaalsContact C-N 3.31Å; W45-T47 PolarHBondContact O-N 3.44Å; W45-N48 PolarHBondContact O-N 3.4Å; W45-E49 HydrophobicContact CH2-CB 4.44Å; W45-E49 HydrophobicContact CH2-CG 4.16Å; W45-E49 HydrophobicContact CZ2-CB 4.36Å; W45-E49 HydrophobicContact CZ2-CG 4.11Å; W45-E49 WeakPolarHBondContact O-CB 3.46Å; W45-E49 PolarHBondContact O-N 3.46Å |
| 46 | T | 95.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 179.2 | -58 | 0 | 0 | 0 | 0 | 111.1 | L24 W28 E42 L50 | L24-T46 HydrophobicContact CB-CG2 4.49Å; L24-T46 HydrophobicContact CD2-CG2 4.35Å; L24-T46 WeakPolarHBondContact O-CG2 3.3Å; W28-T46 HydrophobicContact CB-CG2 3.84Å; E42-T46 VanDerWaalsContact O-CB 3.32Å; E42-T46 WeakPolarHBondContact O-CB 3.47Å; E42-T46 PolarHBondContact O-N 3.1Å; E42-T46 PolarHBondContact O-OG1 3.04Å; T46-L50 WeakPolarHBondContact O-CB 3.42Å; T46-L50 PolarHBondContact O-N 3.05Å |
| 47 | T | 95 | Very high | 91.4 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | W28 L43 D44 W45 R51 M106 | W28-T47 PolarHBondContact NE1-OG1 2.96Å; L43-T47 WeakPolarHBondContact O-CB 3.31Å; L43-T47 PolarHBondContact O-N 3.36Å; L43-T47 PolarHBondContact O-OG1 3.44Å; D44-T47 PolarHBondContact O-N 2.91Å; W45-T47 VanDerWaalsContact C-N 3.31Å; W45-T47 PolarHBondContact O-N 3.44Å; T47-R51 VanDerWaalsContact CG2-NH1 3.33Å; T47-R51 WeakPolarHBondContact O-CG 3.36Å; T47-R51 PolarHBondContact O-N 3.34Å; T47-M106 HydrophobicContact CG2-CE 3.84Å |
| 48 | N | 96.8 | Very high | 93 | Very high | 87 Ų | 87 | 60.6 Ų | 60.6 | 47% | 0.465 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 179.6 | -176.3 | 61.1 | 0 | 0 | 0 | 111.7 | D44 W45 L50 R51 N52 | D44-N48 WeakPolarHBondContact O-CB 3.49Å; D44-N48 PolarHBondContact O-N 3.14Å; W45-N48 PolarHBondContact O-N 3.4Å; N48-L50 VanDerWaalsContact C-N 3.34Å; N48-L50 PolarHBondContact O-N 3.36Å; N48-R51 PolarHBondContact O-N 3.46Å; N48-N52 PolarHBondContact ND2-ND2 2.93Å; N48-N52 VanDerWaalsContact O-CG 3.29Å; N48-N52 PolarHBondContact O-N 3.06Å; N48-N52 PolarHBondContact O-ND2 3.24Å; N48-N52 VanDerWaalsContact O-ND2 3.15Å; N48-N52 PolarHBondContact OD1-ND2 3.05Å |
| 49 | E | 98.1 | Very high | 94.6 | Very high | 79 Ų | 79 | 62.8 Ų | 62.8 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 179 | -168.6 | 61.7 | -159.6 | 0 | 0 | 111.1 | L24 W45 N52 G53 | L24-E49 HydrophobicContact CD1-CB 4.35Å; L24-E49 HydrophobicContact CD1-CG 3.74Å; L24-E49 HydrophobicContact CD2-CG 4.43Å; W45-E49 HydrophobicContact CH2-CB 4.44Å; W45-E49 HydrophobicContact CH2-CG 4.16Å; W45-E49 HydrophobicContact CZ2-CB 4.36Å; W45-E49 HydrophobicContact CZ2-CG 4.11Å; W45-E49 WeakPolarHBondContact O-CB 3.46Å; W45-E49 PolarHBondContact O-N 3.46Å; E49-N52 PolarHBondContact O-N 2.99Å; E49-G53 PolarHBondContact O-N 3.24Å |
| 50 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 175.6 | -178.5 | 58.3 | 0 | 0 | 0 | 111.6 | A21 L24 Y25 W28 T46 N48 N52 G53 L54 M106 | A21-L50 HydrophobicContact CB-CD1 4.12Å; A21-L50 WeakPolarHBondContact O-CD1 3.42Å; L24-L50 HydrophobicContact CB-CB 4.4Å; L24-L50 HydrophobicContact CB-CD1 4.16Å; Y25-L50 HydrophobicContact CD2-CD2 4.11Å; W28-L50 HydrophobicContact CB-CD2 4.38Å; W28-L50 HydrophobicContact CG-CD2 4.45Å; T46-L50 WeakPolarHBondContact O-CB 3.42Å; T46-L50 PolarHBondContact O-N 3.05Å; N48-L50 VanDerWaalsContact C-N 3.34Å; N48-L50 PolarHBondContact O-N 3.36Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 3.23Å; L50-G53 PolarHBondContact O-N 3.04Å; L50-L54 HydrophobicContact CD1-CD1 3.91Å; L50-L54 HydrophobicContact CD1-CD2 4.34Å; L50-L54 HydrophobicContact CD1-CG 3.95Å; L50-L54 HydrophobicContact CG-CD1 3.88Å; L50-L54 HydrophobicContact CG-CG 4.35Å; L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 WeakPolarHBondContact O-CG 3.42Å; L50-L54 PolarHBondContact O-N 2.74Å; L50-M106 HydrophobicContact CB-CE 4.26Å; L50-M106 HydrophobicContact CB-SD 4.47Å; L50-M106 HydrophobicContact CD2-CE 3.85Å; L50-M106 HydrophobicContact CD2-CG 4.24Å; L50-M106 HydrophobicContact CD2-SD 3.46Å; L50-M106 WeakPolarHBondContact CD2-SD 3.18Å; L50-M106 HydrophobicContact CG-CE 4.1Å; L50-M106 HydrophobicContact CG-SD 3.7Å |
| 51 | R | 98.1 | Very high | 96.4 | Very high | 118 Ų | 118 | 61.6 Ų | 61.6 | 45% | 0.445 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 176.6 | -78.4 | 175.2 | 175.4 | 144.2 | 2.4 | 112.4 | T47 N48 R55 M106 | T47-R51 VanDerWaalsContact CG2-NH1 3.33Å; T47-R51 WeakPolarHBondContact O-CG 3.36Å; T47-R51 PolarHBondContact O-N 3.34Å; N48-R51 PolarHBondContact O-N 3.46Å; R51-R55 WeakPolarHBondContact O-CB 3.43Å; R51-R55 PolarHBondContact O-N 3.4Å; R51-M106 HydrophobicContact CG-CE 3.71Å; R51-M106 HydrophobicContact CG-SD 4.43Å |
| 52 | N | 98.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 31% | 0.305 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 179.7 | -67.4 | -30.6 | 0 | 0 | 0 | 111.4 | N48 E49 L50 R55 S56 | N48-N52 PolarHBondContact ND2-ND2 2.93Å; N48-N52 VanDerWaalsContact O-CG 3.29Å; N48-N52 PolarHBondContact O-N 3.06Å; N48-N52 PolarHBondContact O-ND2 3.24Å; N48-N52 VanDerWaalsContact O-ND2 3.15Å; N48-N52 PolarHBondContact OD1-ND2 3.05Å; E49-N52 PolarHBondContact O-N 2.99Å; L50-N52 VanDerWaalsContact C-N 3.32Å; L50-N52 PolarHBondContact O-N 3.23Å; N52-R55 PolarHBondContact O-N 2.9Å; N52-R55 PolarHBondContact OD1-NH1 2.97Å; N52-S56 PolarHBondContact O-N 3.18Å |
| 53 | G | 98.4 | Very high | 97.2 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 24% | 0.237 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E49 L50 R55 S56 I57 | E49-G53 PolarHBondContact O-N 3.24Å; L50-G53 PolarHBondContact O-N 3.04Å; G53-R55 PolarHBondContact O-N 2.96Å; G53-S56 PolarHBondContact O-N 3.02Å; G53-I57 WeakPolarHBondContact O-CD1 3.4Å; G53-I57 VanDerWaalsContact O-CG1 3.25Å; G53-I57 WeakPolarHBondContact O-CG1 3.5Å; G53-I57 PolarHBondContact O-N 3.48Å |
| 54 | L | 98.7 | Very high | 97.5 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 177.3 | -65.7 | 171.5 | 0 | 0 | 0 | 111.6 | A21 L50 S56 I57 E58 V99 M102 K103 M106 | A21-L54 HydrophobicContact CB-CD2 4.11Å; L50-L54 HydrophobicContact CD1-CD1 3.91Å; L50-L54 HydrophobicContact CD1-CD2 4.34Å; L50-L54 HydrophobicContact CD1-CG 3.95Å; L50-L54 HydrophobicContact CG-CD1 3.88Å; L50-L54 HydrophobicContact CG-CG 4.35Å; L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 WeakPolarHBondContact O-CG 3.42Å; L50-L54 PolarHBondContact O-N 2.74Å; L54-S56 PolarHBondContact O-N 3.01Å; L54-I57 PolarHBondContact O-N 3.35Å; L54-E58 WeakPolarHBondContact O-CG 3.33Å; L54-E58 PolarHBondContact O-N 3.13Å; L54-V99 HydrophobicContact CB-CG1 4.39Å; L54-V99 HydrophobicContact CD2-CB 4.41Å; L54-V99 HydrophobicContact CD2-CG1 4.1Å; L54-V99 HydrophobicContact CD2-CG2 4.21Å; L54-M102 HydrophobicContact CD1-CB 4.14Å; L54-M102 HydrophobicContact CD2-CB 4.28Å; L54-M102 HydrophobicContact CD2-CE 3.59Å; L54-M102 HydrophobicContact CD2-SD 4.23Å; L54-K103 HydrophobicContact CB-CG 4.49Å; L54-K103 HydrophobicContact CD1-CG 3.86Å; L54-M106 HydrophobicContact CD1-SD 3.94Å |
| 55 | R | 98.6 | Very high | 97.9 | Very high | 114 Ų | 114 | 60.1 Ų | 60.1 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.5 | -173.4 | -173.5 | -60 | 119.8 | 2.3 | 112.5 | R51 N52 G53 I57 E58 W59 | R51-R55 WeakPolarHBondContact O-CB 3.43Å; R51-R55 PolarHBondContact O-N 3.4Å; N52-R55 PolarHBondContact O-N 2.9Å; N52-R55 PolarHBondContact OD1-NH1 2.97Å; G53-R55 PolarHBondContact O-N 2.96Å; R55-I57 VanDerWaalsContact C-N 3.3Å; R55-I57 PolarHBondContact O-N 3.47Å; R55-E58 PolarHBondContact O-N 3.42Å; R55-W59 HydrophobicContact CG-CD2 4.45Å; R55-W59 HydrophobicContact CG-CH2 4.29Å; R55-W59 HydrophobicContact CG-CZ2 3.95Å; R55-W59 PolarHBondContact O-N 3.31Å |
| 56 | S | 98.6 | Very high | 98 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.4 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | N52 G53 L54 E58 W59 D60 | N52-S56 PolarHBondContact O-N 3.18Å; G53-S56 PolarHBondContact O-N 3.02Å; L54-S56 PolarHBondContact O-N 3.01Å; S56-E58 VanDerWaalsContact C-N 3.33Å; S56-E58 PolarHBondContact O-N 3.26Å; S56-W59 PolarHBondContact O-N 3.03Å; S56-D60 PolarHBondContact O-N 3.2Å; S56-D60 VanDerWaalsContact O-N 3.13Å |
| 57 | I | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 177.7 | -63.9 | 160.1 | 0 | 0 | 0 | 110.9 | V14 A17 V18 A21 G53 L54 R55 W59 D60 L61 V99 | V14-I57 HydrophobicContact CG1-CG2 4.4Å; A17-I57 HydrophobicContact CB-CD1 3.99Å; A17-I57 HydrophobicContact CB-CG1 3.71Å; V18-I57 HydrophobicContact CG2-CD1 3.98Å; V18-I57 HydrophobicContact CG2-CG1 4.45Å; V18-I57 HydrophobicContact CG2-CG2 3.7Å; A21-I57 HydrophobicContact CB-CD1 3.99Å; G53-I57 WeakPolarHBondContact O-CD1 3.4Å; G53-I57 VanDerWaalsContact O-CG1 3.25Å; G53-I57 WeakPolarHBondContact O-CG1 3.5Å; G53-I57 PolarHBondContact O-N 3.48Å; L54-I57 PolarHBondContact O-N 3.35Å; R55-I57 VanDerWaalsContact C-N 3.3Å; R55-I57 PolarHBondContact O-N 3.47Å; I57-W59 VanDerWaalsContact C-N 3.32Å; I57-W59 PolarHBondContact O-N 3.12Å; I57-D60 PolarHBondContact O-N 2.94Å; I57-L61 HydrophobicContact CG2-CD1 3.79Å; I57-L61 HydrophobicContact CG2-CG 4.17Å; I57-L61 WeakPolarHBondContact O-CB 3.44Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.29Å; I57-L61 PolarHBondContact O-N 3.05Å; I57-V99 HydrophobicContact CB-CG2 4.3Å; I57-V99 HydrophobicContact CG2-CG2 3.63Å |
| 58 | E | 98.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 61.3 Ų | 61.3 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 177.5 | -72.9 | -178.4 | 120.1 | 0 | 0 | 112.4 | L54 R55 S56 L61 E62 V99 K103 | L54-E58 WeakPolarHBondContact O-CG 3.33Å; L54-E58 PolarHBondContact O-N 3.13Å; R55-E58 PolarHBondContact O-N 3.42Å; S56-E58 VanDerWaalsContact C-N 3.33Å; S56-E58 PolarHBondContact O-N 3.26Å; E58-L61 PolarHBondContact O-N 3.42Å; E58-E62 PolarHBondContact O-N 2.66Å; E58-V99 HydrophobicContact CG-CG1 3.75Å; E58-K103 IonicContact OE1-NZ 3.42Å; E58-K103 PolarHBondContact OE1-NZ 3.47Å; E58-K103 IonicContact OE2-NZ 3.99Å; E58-K103 PolarHBondContact OE2-NZ 2.88Å |
| 59 | W | 98.6 | Very high | 98.1 | Very high | 154 Ų | 154 | 58.8 Ų | 58.8 | 58% | 0.583 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63 | -48.4 | 173.9 | -67 | -29.3 | 0 | 0 | 0 | 111.8 | R55 S56 I57 L61 E62 D63 | R55-W59 HydrophobicContact CG-CD2 4.45Å; R55-W59 HydrophobicContact CG-CH2 4.29Å; R55-W59 HydrophobicContact CG-CZ2 3.95Å; R55-W59 PolarHBondContact O-N 3.31Å; S56-W59 PolarHBondContact O-N 3.03Å; I57-W59 VanDerWaalsContact C-N 3.32Å; I57-W59 PolarHBondContact O-N 3.12Å; W59-L61 PolarHBondContact O-N 3.24Å; W59-E62 WeakPolarHBondContact O-CB 3.06Å; W59-E62 PolarHBondContact O-N 3.35Å; W59-E62 VanDerWaalsContact O-N 3.12Å; W59-D63 PolarHBondContact O-N 3.44Å |
| 60 | D | 98.3 | Very high | 98 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -36.5 | 177.9 | -62.4 | -22.4 | 0 | 0 | 0 | 111.6 | V14 S56 I57 L64 | V14-D60 HydrophobicContact CG2-CB 3.6Å; S56-D60 PolarHBondContact O-N 3.2Å; S56-D60 VanDerWaalsContact O-N 3.13Å; I57-D60 PolarHBondContact O-N 2.94Å; D60-L64 VanDerWaalsContact O-CG 3.29Å; D60-L64 WeakPolarHBondContact O-CG 3.49Å; D60-L64 PolarHBondContact O-N 2.93Å |
| 61 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72 | -35.5 | 177.5 | -70.2 | 172.7 | 0 | 0 | 0 | 112.9 | V14 I57 E58 W59 L64 E65 V92 M95 R96 V99 | V14-L61 HydrophobicContact CG1-CD2 3.83Å; V14-L61 HydrophobicContact CG1-CG 4.36Å; I57-L61 HydrophobicContact CG2-CD1 3.79Å; I57-L61 HydrophobicContact CG2-CG 4.17Å; I57-L61 WeakPolarHBondContact O-CB 3.44Å; I57-L61 VanDerWaalsContact O-CG 3.23Å; I57-L61 WeakPolarHBondContact O-CG 3.29Å; I57-L61 PolarHBondContact O-N 3.05Å; E58-L61 PolarHBondContact O-N 3.42Å; W59-L61 PolarHBondContact O-N 3.24Å; L61-L64 PolarHBondContact O-N 3.49Å; L61-E65 WeakPolarHBondContact O-CB 3.48Å; L61-E65 PolarHBondContact O-N 3.1Å; L61-V92 HydrophobicContact CD2-CG1 4.24Å; L61-M95 HydrophobicContact CD1-CB 3.93Å; L61-M95 HydrophobicContact CD2-CB 3.64Å; L61-M95 HydrophobicContact CD2-CG 4.37Å; L61-M95 HydrophobicContact CG-CB 4.42Å; L61-R96 VanDerWaalsContact C-NH2 3.27Å; L61-R96 HydrophobicContact CB-CG 4.37Å; L61-R96 HydrophobicContact CD1-CG 3.82Å; L61-R96 PolarHBondContact O-NH2 2.88Å; L61-R96 VanDerWaalsContact O-NH2 3.1Å; L61-V99 HydrophobicContact CD1-CG2 4.45Å |
| 62 | E | 98.5 | Very high | 97.7 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.2 | -50.4 | 171.7 | -171.5 | 170.9 | -167.4 | 0 | 0 | 110.8 | E58 W59 L64 E65 E66 | E58-E62 PolarHBondContact O-N 2.66Å; W59-E62 WeakPolarHBondContact O-CB 3.06Å; W59-E62 PolarHBondContact O-N 3.35Å; W59-E62 VanDerWaalsContact O-N 3.12Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 2.95Å; E62-E65 PolarHBondContact O-N 2.96Å; E62-E65 VanDerWaalsContact O-N 3.1Å; E62-E66 WeakPolarHBondContact O-CG 3.44Å; E62-E66 PolarHBondContact O-N 3.48Å |
| 63 | D | 97.8 | Very high | 97.6 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 176.3 | -75.3 | -0.2 | 0 | 0 | 0 | 111.8 | W59 E65 E66 T67 | W59-D63 PolarHBondContact O-N 3.44Å; D63-E65 VanDerWaalsContact C-N 3.34Å; D63-E65 PolarHBondContact O-N 3.37Å; D63-E66 PolarHBondContact O-N 3.18Å; D63-T67 WeakPolarHBondContact O-CG2 3.38Å; D63-T67 PolarHBondContact O-N 3.01Å |
| 64 | L | 98.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 176.4 | -74.1 | -178.9 | 0 | 0 | 0 | 112.1 | F7 V10 V14 D60 L61 E62 T67 I68 F91 V92 | F7-L64 HydrophobicContact CD2-CD2 3.69Å; F7-L64 HydrophobicContact CE2-CD2 3.81Å; V10-L64 HydrophobicContact CB-CD2 4.12Å; V10-L64 HydrophobicContact CG1-CD1 4.16Å; V10-L64 HydrophobicContact CG1-CD2 3.78Å; V10-L64 HydrophobicContact CG1-CG 4.03Å; V14-L64 HydrophobicContact CG2-CD1 4.11Å; D60-L64 VanDerWaalsContact O-CG 3.29Å; D60-L64 WeakPolarHBondContact O-CG 3.49Å; D60-L64 PolarHBondContact O-N 2.93Å; L61-L64 PolarHBondContact O-N 3.49Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 2.95Å; L64-T67 PolarHBondContact O-N 3.25Å; L64-T67 PolarHBondContact O-OG1 3.06Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.46Å; L64-I68 PolarHBondContact O-N 2.62Å; L64-F91 HydrophobicContact CD1-CE1 4.1Å; L64-V92 HydrophobicContact CB-CG2 3.84Å; L64-V92 HydrophobicContact CD1-CG2 4.3Å |
| 65 | E | 98.3 | Very high | 97 | Very high | 104 Ų | 104 | 66.9 Ų | 66.9 | 49% | 0.486 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.9 | -41.5 | 176.8 | -172.6 | 166.2 | -172.1 | 0 | 0 | 112.1 | L61 E62 D63 T67 I68 G69 V92 R96 | L61-E65 WeakPolarHBondContact O-CB 3.48Å; L61-E65 PolarHBondContact O-N 3.1Å; E62-E65 PolarHBondContact O-N 2.96Å; E62-E65 VanDerWaalsContact O-N 3.1Å; D63-E65 VanDerWaalsContact C-N 3.34Å; D63-E65 PolarHBondContact O-N 3.37Å; E65-T67 VanDerWaalsContact C-N 3.32Å; E65-T67 PolarHBondContact O-N 3.42Å; E65-I68 WeakPolarHBondContact O-CB 3.31Å; E65-I68 PolarHBondContact O-N 2.94Å; E65-G69 PolarHBondContact O-N 3.5Å; E65-V92 HydrophobicContact CB-CG1 4.41Å; E65-R96 IonicContact OE2-CZ 2.77Å; E65-R96 IonicContact OE2-NE 2.59Å; E65-R96 PolarHBondContact OE2-NE 2.9Å; E65-R96 IonicContact OE2-NH2 2.92Å; E65-R96 PolarHBondContact OE2-NH2 2.89Å |
| 66 | E | 98 | Very high | 96.6 | Very high | 116 Ų | 116 | 64.3 Ų | 64.3 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 172.8 | -70.3 | -169.3 | 175.4 | 0 | 0 | 111.5 | E62 D63 I68 G69 I70 | E62-E66 WeakPolarHBondContact O-CG 3.44Å; E62-E66 PolarHBondContact O-N 3.48Å; D63-E66 PolarHBondContact O-N 3.18Å; E66-I68 VanDerWaalsContact C-N 3.31Å; E66-I68 PolarHBondContact O-N 3.26Å; E66-G69 PolarHBondContact O-N 3.3Å; E66-G69 VanDerWaalsContact O-N 3.14Å; E66-I70 WeakPolarHBondContact O-CG1 3.35Å; E66-I70 PolarHBondContact O-N 3.31Å |
| 67 | T | 96.1 | Very high | 96.3 | Very high | 59 Ų | 59 | 68.6 Ų | 68.6 | 36% | 0.362 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 178.3 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | D63 L64 E65 I70 V71 | D63-T67 WeakPolarHBondContact O-CG2 3.38Å; D63-T67 PolarHBondContact O-N 3.01Å; L64-T67 PolarHBondContact O-N 3.25Å; L64-T67 PolarHBondContact O-OG1 3.06Å; E65-T67 VanDerWaalsContact C-N 3.32Å; E65-T67 PolarHBondContact O-N 3.42Å; T67-I70 PolarHBondContact O-N 3.2Å; T67-V71 WeakPolarHBondContact O-CG2 3.44Å; T67-V71 PolarHBondContact O-N 2.99Å |
| 68 | I | 96.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 173.5 | -70.1 | 166.2 | 0 | 0 | 0 | 109.6 | L64 E65 E66 I70 V71 E72 L85 R88 K89 V92 | L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.46Å; L64-I68 PolarHBondContact O-N 2.62Å; E65-I68 WeakPolarHBondContact O-CB 3.31Å; E65-I68 PolarHBondContact O-N 2.94Å; E66-I68 VanDerWaalsContact C-N 3.31Å; E66-I68 PolarHBondContact O-N 3.26Å; I68-I70 VanDerWaalsContact C-N 3.31Å; I68-I70 PolarHBondContact O-N 3.45Å; I68-V71 PolarHBondContact O-N 2.94Å; I68-V71 VanDerWaalsContact O-N 3.13Å; I68-E72 WeakPolarHBondContact O-CG 3.42Å; I68-E72 PolarHBondContact O-N 3.07Å; I68-L85 HydrophobicContact CG2-CD1 4Å; I68-R88 HydrophobicContact CD1-CB 3.75Å; I68-R88 HydrophobicContact CG1-CB 3.95Å; I68-K89 HydrophobicContact CD1-CG 4.37Å; I68-K89 HydrophobicContact CG2-CD 4.42Å; I68-K89 HydrophobicContact CG2-CG 3.8Å; I68-V92 HydrophobicContact CD1-CB 4.49Å; I68-V92 HydrophobicContact CD1-CG2 3.81Å |
| 69 | G | 97.1 | Very high | 95.3 | Very high | 34 Ų | 34 | 78.3 Ų | 78.3 | 35% | 0.351 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.7 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E65 E66 E72 A73 | E65-G69 PolarHBondContact O-N 3.5Å; E66-G69 PolarHBondContact O-N 3.3Å; E66-G69 VanDerWaalsContact O-N 3.14Å; G69-E72 PolarHBondContact O-N 3.06Å; G69-A73 WeakPolarHBondContact O-CB 3.45Å; G69-A73 PolarHBondContact O-N 3.5Å |
| 70 | I | 95.4 | Very high | 94.9 | Very high | 94 Ų | 94 | 72.9 Ų | 72.9 | 48% | 0.482 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 174.9 | -68.4 | 165.5 | 0 | 0 | 0 | 111.4 | E66 T67 I68 E72 A73 N74 F78 | E66-I70 WeakPolarHBondContact O-CG1 3.35Å; E66-I70 PolarHBondContact O-N 3.31Å; T67-I70 PolarHBondContact O-N 3.2Å; I68-I70 VanDerWaalsContact C-N 3.31Å; I68-I70 PolarHBondContact O-N 3.45Å; I70-E72 VanDerWaalsContact C-N 3.35Å; I70-A73 PolarHBondContact O-N 3.32Å; I70-N74 PolarHBondContact O-N 3.28Å; I70-F78 HydrophobicContact CG2-CE2 3.8Å; I70-F78 HydrophobicContact CG2-CZ 3.68Å |
| 71 | V | 94.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 73.7 Ų | 73.7 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 177.9 | 173 | 0 | 0 | 0 | 0 | 110.9 | T67 I68 N74 F78 L80 L85 | T67-V71 WeakPolarHBondContact O-CG2 3.44Å; T67-V71 PolarHBondContact O-N 2.99Å; I68-V71 PolarHBondContact O-N 2.94Å; I68-V71 VanDerWaalsContact O-N 3.13Å; V71-N74 CarbonylContact O-C 3.59Å; V71-N74 PolarHBondContact O-N 3.48Å; V71-F78 HydrophobicContact CB-CD2 4.32Å; V71-F78 HydrophobicContact CG1-CB 4.13Å; V71-F78 HydrophobicContact CG1-CD2 4.49Å; V71-F78 HydrophobicContact CG1-CG 4.45Å; V71-F78 HydrophobicContact CG2-CB 4.39Å; V71-F78 HydrophobicContact CG2-CD1 4.26Å; V71-F78 HydrophobicContact CG2-CD2 4.11Å; V71-F78 HydrophobicContact CG2-CE2 4.47Å; V71-F78 HydrophobicContact CG2-CG 4Å; V71-L80 HydrophobicContact CG1-CB 4.05Å; V71-L80 HydrophobicContact CG1-CD2 3.9Å; V71-L85 HydrophobicContact CB-CD1 4.37Å; V71-L85 HydrophobicContact CG1-CD1 3.99Å |
| 72 | E | 94.9 | Very high | 94.3 | Very high | 88 Ų | 88 | 77.6 Ų | 77.6 | 41% | 0.411 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.1 | -77.2 | -163 | 117.3 | 0 | 0 | 113.5 | I68 G69 I70 N74 P75 L85 K89 | I68-E72 WeakPolarHBondContact O-CG 3.42Å; I68-E72 PolarHBondContact O-N 3.07Å; G69-E72 PolarHBondContact O-N 3.06Å; I70-E72 VanDerWaalsContact C-N 3.35Å; E72-N74 PolarHBondContact O-N 3.05Å; E72-P75 WeakPolarHBondContact O-CD 3.34Å; E72-P75 WeakPolarHBondContact O-CG 3.46Å; E72-L85 HydrophobicContact CG-CD1 4.3Å; E72-L85 HydrophobicContact CG-CD2 3.8Å; E72-L85 HydrophobicContact CG-CG 4.47Å; E72-K89 WeakPolarHBondContact OE1-CE 3.44Å; E72-K89 IonicContact OE1-NZ 2.94Å; E72-K89 PolarHBondContact OE1-NZ 3.14Å; E72-K89 VanDerWaalsContact OE2-CE 3.24Å; E72-K89 WeakPolarHBondContact OE2-CE 3.26Å; E72-K89 IonicContact OE2-NZ 2.62Å; E72-K89 PolarHBondContact OE2-NZ 3.26Å |
| 73 | A | 96.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 74.9 Ų | 74.9 | 73% | 0.727 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.7 | -21 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G69 I70 | G69-A73 WeakPolarHBondContact O-CB 3.45Å; G69-A73 PolarHBondContact O-N 3.5Å; I70-A73 PolarHBondContact O-N 3.32Å |
| 74 | N | 94.3 | Very high | 94 | Very high | 74 Ų | 74 | 73.3 Ų | 73.3 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | trans | -140.5 | 66.9 | -178.5 | -161.6 | -13.9 | 0 | 0 | 0 | 114.8 | I70 V71 E72 G76 K77 F78 | I70-N74 PolarHBondContact O-N 3.28Å; V71-N74 CarbonylContact O-C 3.59Å; V71-N74 PolarHBondContact O-N 3.48Å; E72-N74 PolarHBondContact O-N 3.05Å; N74-G76 VanDerWaalsContact C-N 3.27Å; N74-G76 PolarHBondContact O-N 3.29Å; N74-K77 HydrophobicContact CB-CB 4.33Å; N74-K77 VanDerWaalsContact CG-CB 3.49Å; N74-K77 PolarHBondContact O-N 3.06Å; N74-K77 WeakPolarHBondContact OD1-CB 3.41Å; N74-K77 PolarHBondContact OD1-N 2.94Å; N74-F78 HydrophobicContact CB-CD2 4.33Å; N74-F78 HydrophobicContact CB-CE2 4.16Å; N74-F78 VanDerWaalsContact O-CD2 3.27Å; N74-F78 WeakPolarHBondContact O-CD2 3.46Å; N74-F78 PolarHBondContact O-N 2.95Å | ||
| 75 | P | 91.5 | Very high | 93.9 | Very high | 89 Ų | 89 | 74.2 Ų | 74.2 | 58% | 0.578 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.1 | -33.4 | -175.5 | -23.1 | 34.4 | 0 | 0 | 0 | 113.6 | E72 K77 K79 | E72-P75 WeakPolarHBondContact O-CD 3.34Å; E72-P75 WeakPolarHBondContact O-CG 3.46Å; P75-K77 VanDerWaalsContact C-N 3.32Å; P75-K77 PolarHBondContact O-N 3.29Å; P75-K79 WeakPolarHBondContact O-CA 3.37Å; P75-K79 PolarHBondContact O-N 3.47Å |
| 76 | G | 90.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 74.2 Ų | 74.2 | 61% | 0.608 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.2 | -29.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | N74 | N74-G76 VanDerWaalsContact C-N 3.27Å; N74-G76 PolarHBondContact O-N 3.29Å |
| 77 | K | 90.6 | Very high | 93.8 | Very high | 147 Ų | 147 | 75.2 Ų | 75.2 | 64% | 0.639 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -77.4 | -45.7 | 178 | -177.9 | -177.7 | 177.6 | -173.2 | 0 | 111.8 | N74 P75 | N74-K77 HydrophobicContact CB-CB 4.33Å; N74-K77 VanDerWaalsContact CG-CB 3.49Å; N74-K77 PolarHBondContact O-N 3.06Å; N74-K77 WeakPolarHBondContact OD1-CB 3.41Å; N74-K77 PolarHBondContact OD1-N 2.94Å; P75-K77 VanDerWaalsContact C-N 3.32Å; P75-K77 PolarHBondContact O-N 3.29Å |
| 78 | F | 88.1 | Confident | 93.9 | Very high | 83 Ų | 83 | 73.1 Ų | 73.1 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -88.9 | -24.8 | -172.4 | -63.3 | -76.2 | 0 | 0 | 0 | 113.4 | I70 V71 N74 L80 | I70-F78 HydrophobicContact CG2-CE2 3.8Å; I70-F78 HydrophobicContact CG2-CZ 3.68Å; V71-F78 HydrophobicContact CB-CD2 4.32Å; V71-F78 HydrophobicContact CG1-CB 4.13Å; V71-F78 HydrophobicContact CG1-CD2 4.49Å; V71-F78 HydrophobicContact CG1-CG 4.45Å; V71-F78 HydrophobicContact CG2-CB 4.39Å; V71-F78 HydrophobicContact CG2-CD1 4.26Å; V71-F78 HydrophobicContact CG2-CD2 4.11Å; V71-F78 HydrophobicContact CG2-CE2 4.47Å; V71-F78 HydrophobicContact CG2-CG 4Å; N74-F78 HydrophobicContact CB-CD2 4.33Å; N74-F78 HydrophobicContact CB-CE2 4.16Å; N74-F78 VanDerWaalsContact O-CD2 3.27Å; N74-F78 WeakPolarHBondContact O-CD2 3.46Å; N74-F78 PolarHBondContact O-N 2.95Å; F78-L80 PolarHBondContact O-N 3Å |
| 79 | K | 89 | Confident | 94 | Very high | 175 Ų | 175 | 75.8 Ų | 75.8 | 76% | 0.761 | 44% | 0.435 | S | S | * | . | trans | 50.9 | 31.7 | 178.2 | -55.6 | -177.6 | -178.3 | -179.7 | 0 | 113.3 | P75 | P75-K79 WeakPolarHBondContact O-CA 3.37Å; P75-K79 PolarHBondContact O-N 3.47Å | ||
| 80 | L | 90 | Very high | 94 | Very high | 40 Ų | 40 | 77.6 Ų | 77.6 | 21% | 0.209 | 44% | 0.439 | C | S | . | . | trans | -76.4 | 130.9 | 178 | -170.6 | 70.3 | 0 | 0 | 0 | 109.3 | V71 F78 D84 L85 R88 | V71-L80 HydrophobicContact CG1-CB 4.05Å; V71-L80 HydrophobicContact CG1-CD2 3.9Å; F78-L80 PolarHBondContact O-N 3Å; L80-D84 HydrophobicContact CD1-CB 3.88Å; L80-D84 HydrophobicContact CG-CB 4.05Å; L80-L85 HydrophobicContact CD2-CB 3.89Å; L80-L85 HydrophobicContact CD2-CD1 4.04Å; L80-R88 VanDerWaalsContact CD1-NH2 3.32Å | ||
| 81 | P | 92.9 | Very high | 94.2 | Very high | 67 Ų | 67 | 73.8 Ų | 73.8 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | trans | -57.3 | 143.5 | 173.6 | -23.4 | 33.8 | 0 | 0 | 0 | 111.7 | G83 D84 L85 | P81-G83 PolarHBondContact O-N 3.23Å; P81-D84 HydrophobicContact CB-CB 4.37Å; P81-D84 WeakPolarHBondContact CD-OD2 3.23Å; P81-D84 PolarHBondContact O-N 3.45Å; P81-L85 PolarHBondContact O-N 3.44Å | ||
| 82 | A | 91.7 | Very high | 94.4 | Very high | 83 Ų | 83 | 73.3 Ų | 73.3 | 69% | 0.686 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.4 | -31.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q86 | A82-Q86 WeakPolarHBondContact O-CB 3.4Å; A82-Q86 PolarHBondContact O-N 3.32Å |
| 83 | G | 94.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 74.3 Ų | 74.3 | 45% | 0.454 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62 | -55.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P81 L85 Q86 E87 | P81-G83 PolarHBondContact O-N 3.23Å; G83-L85 VanDerWaalsContact C-N 3.29Å; G83-L85 PolarHBondContact O-N 3.26Å; G83-Q86 WeakPolarHBondContact O-CB 3.47Å; G83-Q86 PolarHBondContact O-N 2.84Å; G83-E87 PolarHBondContact O-N 3.13Å |
| 84 | D | 94.8 | Very high | 94.7 | Very high | 63 Ų | 63 | 77.6 Ų | 77.6 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -56.3 | -44.2 | 178.4 | -59.7 | 13.6 | 0 | 0 | 0 | 111.4 | L80 P81 Q86 E87 R88 | L80-D84 HydrophobicContact CD1-CB 3.88Å; L80-D84 HydrophobicContact CG-CB 4.05Å; P81-D84 HydrophobicContact CB-CB 4.37Å; P81-D84 WeakPolarHBondContact CD-OD2 3.23Å; P81-D84 PolarHBondContact O-N 3.45Å; D84-Q86 VanDerWaalsContact C-N 3.34Å; D84-Q86 PolarHBondContact O-N 3.06Å; D84-E87 WeakPolarHBondContact O-CB 3.12Å; D84-E87 PolarHBondContact O-N 3.06Å; D84-R88 VanDerWaalsContact O-CG 3.31Å; D84-R88 WeakPolarHBondContact O-CG 3.39Å; D84-R88 PolarHBondContact O-N 3.23Å |
| 85 | L | 95.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 74 Ų | 74 | 14% | 0.136 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.1 | -177.1 | 61.9 | 0 | 0 | 0 | 112.2 | I68 V71 E72 L80 P81 G83 E87 R88 K89 | I68-L85 HydrophobicContact CG2-CD1 4Å; V71-L85 HydrophobicContact CB-CD1 4.37Å; V71-L85 HydrophobicContact CG1-CD1 3.99Å; E72-L85 HydrophobicContact CG-CD1 4.3Å; E72-L85 HydrophobicContact CG-CD2 3.8Å; E72-L85 HydrophobicContact CG-CG 4.47Å; L80-L85 HydrophobicContact CD2-CB 3.89Å; L80-L85 HydrophobicContact CD2-CD1 4.04Å; P81-L85 PolarHBondContact O-N 3.44Å; G83-L85 VanDerWaalsContact C-N 3.29Å; G83-L85 PolarHBondContact O-N 3.26Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.48Å; L85-R88 WeakPolarHBondContact O-CB 3.47Å; L85-R88 PolarHBondContact O-N 3.48Å; L85-K89 PolarHBondContact O-N 2.59Å |
| 86 | Q | 97.5 | Very high | 95.2 | Very high | 104 Ų | 104 | 73.3 Ų | 73.3 | 49% | 0.486 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 175.7 | -175 | 59.8 | 45.3 | 0 | 0 | 111.5 | A82 G83 D84 R88 K89 V90 | A82-Q86 WeakPolarHBondContact O-CB 3.4Å; A82-Q86 PolarHBondContact O-N 3.32Å; G83-Q86 WeakPolarHBondContact O-CB 3.47Å; G83-Q86 PolarHBondContact O-N 2.84Å; D84-Q86 VanDerWaalsContact C-N 3.34Å; D84-Q86 PolarHBondContact O-N 3.06Å; Q86-R88 VanDerWaalsContact C-N 3.3Å; Q86-R88 PolarHBondContact O-N 3.2Å; Q86-K89 PolarHBondContact O-N 2.95Å; Q86-V90 HydrophobicContact CG-CG2 4.48Å; Q86-V90 WeakPolarHBondContact O-CG2 3.34Å; Q86-V90 PolarHBondContact O-N 3.17Å |
| 87 | E | 97.5 | Very high | 95.6 | Very high | 138 Ų | 138 | 76.1 Ų | 76.1 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62 | -37.4 | 175.2 | -69.3 | 179.5 | -173.7 | 0 | 0 | 112.2 | G83 D84 L85 F91 | G83-E87 PolarHBondContact O-N 3.13Å; D84-E87 WeakPolarHBondContact O-CB 3.12Å; D84-E87 PolarHBondContact O-N 3.06Å; L85-E87 VanDerWaalsContact C-N 3.32Å; L85-E87 PolarHBondContact O-N 3.48Å; E87-F91 WeakPolarHBondContact O-CB 3.47Å; E87-F91 PolarHBondContact O-N 3.3Å |
| 88 | R | 97.8 | Very high | 96 | Very high | 14 Ų | 14 | 69.4 Ų | 69.4 | 5% | 0.053 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 174.7 | -56.2 | -167.1 | -174.6 | -164.4 | -1.6 | 111.6 | D5 F7 I68 L80 D84 L85 Q86 F91 V92 | D5-R88 IonicContact OD1-NH1 2.88Å; D5-R88 PolarHBondContact OD1-NH1 3.1Å; D5-R88 IonicContact OD1-NH2 2.84Å; D5-R88 IonicContact OD2-CZ 2.57Å; D5-R88 IonicContact OD2-NH1 2.99Å; D5-R88 PolarHBondContact OD2-NH1 3.27Å; D5-R88 IonicContact OD2-NH2 3.19Å; D5-R88 PolarHBondContact OD2-NH2 2.77Å; F7-R88 HydrophobicContact CD1-CG 3.98Å; F7-R88 HydrophobicContact CD2-CG 4.24Å; F7-R88 HydrophobicContact CE1-CB 4.04Å; F7-R88 HydrophobicContact CE1-CG 3.48Å; F7-R88 VanDerWaalsContact CE1-CG 3.48Å; F7-R88 HydrophobicContact CE2-CB 3.73Å; F7-R88 HydrophobicContact CE2-CG 3.78Å; F7-R88 HydrophobicContact CG-CG 4.35Å; F7-R88 HydrophobicContact CZ-CB 3.43Å; F7-R88 VanDerWaalsContact CZ-CB 3.43Å; F7-R88 HydrophobicContact CZ-CG 3.39Å; I68-R88 HydrophobicContact CD1-CB 3.75Å; I68-R88 HydrophobicContact CG1-CB 3.95Å; L80-R88 VanDerWaalsContact CD1-NH2 3.32Å; D84-R88 VanDerWaalsContact O-CG 3.31Å; D84-R88 WeakPolarHBondContact O-CG 3.39Å; D84-R88 PolarHBondContact O-N 3.23Å; L85-R88 WeakPolarHBondContact O-CB 3.47Å; L85-R88 PolarHBondContact O-N 3.48Å; Q86-R88 VanDerWaalsContact C-N 3.3Å; Q86-R88 PolarHBondContact O-N 3.2Å; R88-F91 WeakPolarHBondContact O-CB 3.37Å; R88-F91 PolarHBondContact O-N 3.16Å; R88-V92 WeakPolarHBondContact O-CG2 3.36Å; R88-V92 PolarHBondContact O-N 3.44Å |
| 89 | K | 98.4 | Very high | 96.5 | Very high | 65 Ų | 65 | 65.6 Ų | 65.6 | 28% | 0.283 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -51 | 177.9 | -70.9 | -177.4 | 172.6 | -155.2 | 0 | 111.9 | I68 E72 L85 Q86 F91 V92 E93 | I68-K89 HydrophobicContact CD1-CG 4.37Å; I68-K89 HydrophobicContact CG2-CD 4.42Å; I68-K89 HydrophobicContact CG2-CG 3.8Å; E72-K89 WeakPolarHBondContact OE1-CE 3.44Å; E72-K89 IonicContact OE1-NZ 2.94Å; E72-K89 PolarHBondContact OE1-NZ 3.14Å; E72-K89 VanDerWaalsContact OE2-CE 3.24Å; E72-K89 WeakPolarHBondContact OE2-CE 3.26Å; E72-K89 IonicContact OE2-NZ 2.62Å; E72-K89 PolarHBondContact OE2-NZ 3.26Å; L85-K89 PolarHBondContact O-N 2.59Å; Q86-K89 PolarHBondContact O-N 2.95Å; K89-F91 PolarHBondContact O-N 2.81Å; K89-V92 PolarHBondContact O-N 3.3Å; K89-E93 WeakPolarHBondContact O-CB 3.36Å; K89-E93 PolarHBondContact O-N 3.4Å |
| 90 | V | 98.5 | Very high | 96.9 | Very high | 72 Ų | 72 | 61.4 Ų | 61.4 | 44% | 0.436 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.3 | -37.9 | 178.8 | 172.6 | 0 | 0 | 0 | 0 | 111 | Q86 R94 | Q86-V90 HydrophobicContact CG-CG2 4.48Å; Q86-V90 WeakPolarHBondContact O-CG2 3.34Å; Q86-V90 PolarHBondContact O-N 3.17Å; V90-R94 VanDerWaalsContact O-CB 3.24Å; V90-R94 WeakPolarHBondContact O-CB 3.41Å; V90-R94 PolarHBondContact O-N 2.89Å |
| 91 | F | 98.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 6% | 0.057 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.4 | -51.9 | 175 | 172 | -96.5 | 0 | 0 | 0 | 112 | F7 R11 V14 Q15 L64 E87 R88 K89 E93 R94 M95 | F7-F91 HydrophobicContact CZ-CD1 4.28Å; R11-F91 HydrophobicContact CB-CE1 4.15Å; R11-F91 HydrophobicContact CB-CZ 4.23Å; R11-F91 HydrophobicContact CG-CD1 3.99Å; R11-F91 HydrophobicContact CG-CD2 3.96Å; R11-F91 HydrophobicContact CG-CE1 3.7Å; R11-F91 HydrophobicContact CG-CE2 3.65Å; R11-F91 HydrophobicContact CG-CG 4.12Å; R11-F91 HydrophobicContact CG-CZ 3.51Å; R11-F91 WeakPolarHBondContact O-CZ 3.36Å; V14-F91 HydrophobicContact CB-CE1 4.48Å; V14-F91 HydrophobicContact CB-CZ 4.25Å; V14-F91 HydrophobicContact CG1-CE1 4.22Å; V14-F91 HydrophobicContact CG1-CZ 4.02Å; Q15-F91 HydrophobicContact CB-CE2 4.33Å; Q15-F91 HydrophobicContact CB-CZ 4.45Å; L64-F91 HydrophobicContact CD1-CE1 4.1Å; E87-F91 WeakPolarHBondContact O-CB 3.47Å; E87-F91 PolarHBondContact O-N 3.3Å; R88-F91 WeakPolarHBondContact O-CB 3.37Å; R88-F91 PolarHBondContact O-N 3.16Å; K89-F91 PolarHBondContact O-N 2.81Å; F91-E93 PolarHBondContact O-N 3.14Å; F91-R94 PolarHBondContact O-N 2.83Å; F91-M95 HydrophobicContact CD2-CG 4.27Å; F91-M95 HydrophobicContact CE1-CG 4.04Å; F91-M95 HydrophobicContact CE2-CG 3.77Å; F91-M95 HydrophobicContact CE2-SD 4.11Å; F91-M95 HydrophobicContact CZ-CG 3.64Å; F91-M95 HydrophobicContact CZ-SD 4.3Å; F91-M95 WeakPolarHBondContact O-CG 3.42Å; F91-M95 PolarHBondContact O-N 3.01Å |
| 92 | V | 98.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | -179.6 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | L61 L64 E65 I68 R88 K89 R94 M95 R96 | L61-V92 HydrophobicContact CD2-CG1 4.24Å; L64-V92 HydrophobicContact CB-CG2 3.84Å; L64-V92 HydrophobicContact CD1-CG2 4.3Å; E65-V92 HydrophobicContact CB-CG1 4.41Å; I68-V92 HydrophobicContact CD1-CB 4.49Å; I68-V92 HydrophobicContact CD1-CG2 3.81Å; R88-V92 WeakPolarHBondContact O-CG2 3.36Å; R88-V92 PolarHBondContact O-N 3.44Å; K89-V92 PolarHBondContact O-N 3.3Å; V92-R94 PolarHBondContact O-N 3.24Å; V92-M95 PolarHBondContact O-N 3.22Å; V92-R96 HydrophobicContact CG1-CG 4.39Å; V92-R96 WeakPolarHBondContact O-CG 3.46Å; V92-R96 PolarHBondContact O-N 3.2Å |
| 93 | E | 98.7 | Very high | 97.9 | Very high | 110 Ų | 110 | 61.8 Ų | 61.8 | 51% | 0.514 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.2 | -51 | 177.4 | -175.8 | 175.7 | -160.1 | 0 | 0 | 111.4 | K89 F91 M95 R96 E97 | K89-E93 WeakPolarHBondContact O-CB 3.36Å; K89-E93 PolarHBondContact O-N 3.4Å; F91-E93 PolarHBondContact O-N 3.14Å; E93-M95 VanDerWaalsContact C-N 3.3Å; E93-M95 PolarHBondContact O-N 3.05Å; E93-R96 WeakPolarHBondContact O-CB 3.24Å; E93-R96 PolarHBondContact O-N 3.37Å; E93-R96 VanDerWaalsContact O-N 3.14Å; E93-E97 WeakPolarHBondContact O-CG 3.34Å; E93-E97 PolarHBondContact O-N 3.22Å |
| 94 | R | 98.7 | Very high | 98.1 | Very high | 156 Ų | 156 | 63.8 Ų | 63.8 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.3 | -38 | 178.9 | -172.8 | -175.8 | -173.1 | -167 | 3.4 | 113.1 | V90 F91 V92 A98 | V90-R94 VanDerWaalsContact O-CB 3.24Å; V90-R94 WeakPolarHBondContact O-CB 3.41Å; V90-R94 PolarHBondContact O-N 2.89Å; F91-R94 PolarHBondContact O-N 2.83Å; V92-R94 PolarHBondContact O-N 3.24Å; R94-A98 PolarHBondContact O-N 3.32Å |
| 95 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71.9 | -39.7 | 177.5 | -66.6 | -56.6 | 94.6 | 0 | 0 | 111.1 | V14 V18 L61 F91 V92 E93 A98 V99 | V14-M95 HydrophobicContact CG1-CB 4.39Å; V14-M95 HydrophobicContact CG1-CG 4.06Å; V18-M95 HydrophobicContact CB-SD 4.09Å; V18-M95 HydrophobicContact CG1-SD 4.07Å; V18-M95 HydrophobicContact CG2-SD 3.87Å; L61-M95 HydrophobicContact CD1-CB 3.93Å; L61-M95 HydrophobicContact CD2-CB 3.64Å; L61-M95 HydrophobicContact CD2-CG 4.37Å; L61-M95 HydrophobicContact CG-CB 4.42Å; F91-M95 HydrophobicContact CD2-CG 4.27Å; F91-M95 HydrophobicContact CE1-CG 4.04Å; F91-M95 HydrophobicContact CE2-CG 3.77Å; F91-M95 HydrophobicContact CE2-SD 4.11Å; F91-M95 HydrophobicContact CZ-CG 3.64Å; F91-M95 HydrophobicContact CZ-SD 4.3Å; F91-M95 WeakPolarHBondContact O-CG 3.42Å; F91-M95 PolarHBondContact O-N 3.01Å; V92-M95 PolarHBondContact O-N 3.22Å; E93-M95 VanDerWaalsContact C-N 3.3Å; E93-M95 PolarHBondContact O-N 3.05Å; M95-A98 PolarHBondContact O-N 3.29Å; M95-V99 WeakPolarHBondContact O-CG2 3.33Å; M95-V99 PolarHBondContact O-N 3.46Å |
| 96 | R | 98.7 | Very high | 98 | Very high | 74 Ų | 74 | 62.9 Ų | 62.9 | 28% | 0.279 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 173.4 | -75.4 | -169 | -177.4 | -59.9 | -1.5 | 111.4 | L61 E65 V92 E93 A98 V99 Q100 | L61-R96 VanDerWaalsContact C-NH2 3.27Å; L61-R96 HydrophobicContact CB-CG 4.37Å; L61-R96 HydrophobicContact CD1-CG 3.82Å; L61-R96 PolarHBondContact O-NH2 2.88Å; L61-R96 VanDerWaalsContact O-NH2 3.1Å; E65-R96 IonicContact OE2-CZ 2.77Å; E65-R96 IonicContact OE2-NE 2.59Å; E65-R96 PolarHBondContact OE2-NE 2.9Å; E65-R96 IonicContact OE2-NH2 2.92Å; E65-R96 PolarHBondContact OE2-NH2 2.89Å; V92-R96 HydrophobicContact CG1-CG 4.39Å; V92-R96 WeakPolarHBondContact O-CG 3.46Å; V92-R96 PolarHBondContact O-N 3.2Å; E93-R96 WeakPolarHBondContact O-CB 3.24Å; E93-R96 PolarHBondContact O-N 3.37Å; E93-R96 VanDerWaalsContact O-N 3.14Å; R96-A98 VanDerWaalsContact C-N 3.33Å; R96-A98 PolarHBondContact O-N 2.95Å; R96-V99 PolarHBondContact O-N 2.73Å; R96-Q100 WeakPolarHBondContact O-CB 3.44Å; R96-Q100 PolarHBondContact O-N 3.32Å |
| 97 | E | 98.7 | Very high | 97.8 | Very high | 118 Ų | 118 | 62.6 Ų | 62.6 | 55% | 0.551 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -56.9 | -46.1 | 176.6 | -73 | 177.5 | 162.1 | 0 | 0 | 111.8 | E93 V99 Q100 E101 | E93-E97 WeakPolarHBondContact O-CG 3.34Å; E93-E97 PolarHBondContact O-N 3.22Å; E97-V99 PolarHBondContact O-N 2.76Å; E97-Q100 PolarHBondContact O-N 3.42Å; E97-E101 WeakPolarHBondContact O-CB 3.48Å; E97-E101 PolarHBondContact O-N 3.01Å |
| 98 | A | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 5% | 0.05 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V18 R22 R94 M95 R96 M102 | V18-A98 HydrophobicContact CG1-CB 4.33Å; R22-A98 VanDerWaalsContact NH2-CB 3.31Å; R94-A98 PolarHBondContact O-N 3.32Å; M95-A98 PolarHBondContact O-N 3.29Å; R96-A98 VanDerWaalsContact C-N 3.33Å; R96-A98 PolarHBondContact O-N 2.95Å; A98-M102 WeakPolarHBondContact O-CE 3.36Å; A98-M102 PolarHBondContact O-N 2.92Å |
| 99 | V | 98.7 | Very high | 97 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -45.7 | 175 | 168 | 0 | 0 | 0 | 0 | 110.5 | V18 L54 I57 E58 L61 M95 R96 E97 M102 K103 | V18-V99 HydrophobicContact CG2-CG2 4.43Å; L54-V99 HydrophobicContact CB-CG1 4.39Å; L54-V99 HydrophobicContact CD2-CB 4.41Å; L54-V99 HydrophobicContact CD2-CG1 4.1Å; L54-V99 HydrophobicContact CD2-CG2 4.21Å; I57-V99 HydrophobicContact CB-CG2 4.3Å; I57-V99 HydrophobicContact CG2-CG2 3.63Å; E58-V99 HydrophobicContact CG-CG1 3.75Å; L61-V99 HydrophobicContact CD1-CG2 4.45Å; M95-V99 WeakPolarHBondContact O-CG2 3.33Å; M95-V99 PolarHBondContact O-N 3.46Å; R96-V99 PolarHBondContact O-N 2.73Å; E97-V99 PolarHBondContact O-N 2.76Å; V99-M102 PolarHBondContact O-N 3.36Å; V99-K103 HydrophobicContact CG1-CD 3.88Å; V99-K103 HydrophobicContact CG1-CG 4.37Å; V99-K103 WeakPolarHBondContact O-CG 3.4Å; V99-K103 PolarHBondContact O-N 3.5Å |
| 100 | Q | 98.5 | Very high | 96.4 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | -179.4 | -169.4 | 62.1 | 40.9 | 0 | 0 | 111.6 | R96 E97 M102 K103 D104 | R96-Q100 WeakPolarHBondContact O-CB 3.44Å; R96-Q100 PolarHBondContact O-N 3.32Å; E97-Q100 PolarHBondContact O-N 3.42Å; Q100-M102 VanDerWaalsContact C-N 3.32Å; Q100-M102 PolarHBondContact O-N 3.4Å; Q100-K103 PolarHBondContact O-N 3.26Å; Q100-D104 PolarHBondContact NE2-OD1 3.49Å; Q100-D104 WeakPolarHBondContact O-CB 3.25Å; Q100-D104 VanDerWaalsContact O-CG 3.24Å; Q100-D104 PolarHBondContact O-N 3.27Å |
| 101 | E | 98.3 | Very high | 95.8 | Very high | 128 Ų | 128 | 60.6 Ų | 60.6 | 60% | 0.598 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -54.2 | -47.9 | 175.4 | -176.1 | -170.7 | 167.5 | 0 | 0 | 111.7 | E97 H105 | E97-E101 WeakPolarHBondContact O-CB 3.48Å; E97-E101 PolarHBondContact O-N 3.01Å; E101-H105 PolarHBondContact O-N 3.07Å; E101-H105 VanDerWaalsContact O-N 3.14Å |
| 102 | M | 98.5 | Very high | 95.3 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.02 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 178.1 | -69.2 | -177.5 | -79.5 | 0 | 0 | 111.4 | A21 R22 Y25 L54 A98 V99 Q100 D104 H105 M106 | A21-M102 HydrophobicContact CB-CE 4.3Å; R22-M102 HydrophobicContact CG-CE 4.22Å; R22-M102 HydrophobicContact CG-SD 4.1Å; Y25-M102 HydrophobicContact CD1-CG 3.89Å; Y25-M102 HydrophobicContact CD1-SD 4.21Å; Y25-M102 HydrophobicContact CD2-CB 4.08Å; Y25-M102 HydrophobicContact CD2-CG 3.89Å; Y25-M102 HydrophobicContact CE1-CG 4.2Å; Y25-M102 HydrophobicContact CE2-CB 4.32Å; Y25-M102 HydrophobicContact CE2-CG 4.21Å; Y25-M102 HydrophobicContact CG-CB 4.37Å; Y25-M102 HydrophobicContact CG-CG 3.7Å; Y25-M102 HydrophobicContact CG-SD 3.89Å; L54-M102 HydrophobicContact CD1-CB 4.14Å; L54-M102 HydrophobicContact CD2-CB 4.28Å; L54-M102 HydrophobicContact CD2-CE 3.59Å; L54-M102 HydrophobicContact CD2-SD 4.23Å; A98-M102 WeakPolarHBondContact O-CE 3.36Å; A98-M102 PolarHBondContact O-N 2.92Å; V99-M102 PolarHBondContact O-N 3.36Å; Q100-M102 VanDerWaalsContact C-N 3.32Å; Q100-M102 PolarHBondContact O-N 3.4Å; M102-D104 PolarHBondContact O-N 3.15Å; M102-H105 PolarHBondContact O-N 2.89Å; M102-M106 VanDerWaalsContact O-CG 3.28Å; M102-M106 WeakPolarHBondContact O-CG 3.46Å; M102-M106 PolarHBondContact O-N 3.26Å |
| 103 | K | 98.1 | Very high | 94.6 | Very high | 67 Ų | 67 | 64.9 Ų | 64.9 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 178.4 | -72.6 | -180 | 64.6 | 171.1 | 0 | 112 | L54 E58 V99 Q100 H105 M106 V107 | L54-K103 HydrophobicContact CB-CG 4.49Å; L54-K103 HydrophobicContact CD1-CG 3.86Å; E58-K103 IonicContact OE1-NZ 3.42Å; E58-K103 PolarHBondContact OE1-NZ 3.47Å; E58-K103 IonicContact OE2-NZ 3.99Å; E58-K103 PolarHBondContact OE2-NZ 2.88Å; V99-K103 HydrophobicContact CG1-CD 3.88Å; V99-K103 HydrophobicContact CG1-CG 4.37Å; V99-K103 WeakPolarHBondContact O-CG 3.4Å; V99-K103 PolarHBondContact O-N 3.5Å; Q100-K103 PolarHBondContact O-N 3.26Å; K103-H105 VanDerWaalsContact C-N 3.32Å; K103-H105 PolarHBondContact O-N 2.95Å; K103-M106 WeakPolarHBondContact O-CB 3.45Å; K103-M106 PolarHBondContact O-N 2.86Å; K103-M106 VanDerWaalsContact O-N 3.17Å; K103-V107 WeakPolarHBondContact O-CG2 3.43Å; K103-V107 PolarHBondContact O-N 3.46Å; K103-V107 VanDerWaalsContact O-N 3.13Å |
| 104 | D | 97.8 | Very high | 93.9 | Very high | 86 Ų | 86 | 62.4 Ų | 62.4 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | -179.9 | -73.8 | -15.6 | 0 | 0 | 0 | 111.3 | Q100 M102 V107 S108 | Q100-D104 PolarHBondContact NE2-OD1 3.49Å; Q100-D104 WeakPolarHBondContact O-CB 3.25Å; Q100-D104 VanDerWaalsContact O-CG 3.24Å; Q100-D104 PolarHBondContact O-N 3.27Å; M102-D104 PolarHBondContact O-N 3.15Å; D104-V107 WeakPolarHBondContact O-CG2 3.38Å; D104-V107 PolarHBondContact O-N 3.36Å; D104-S108 PolarHBondContact O-N 3.16Å |
| 105 | H | 95.9 | Very high | 93.1 | Very high | 63 Ų | 63 | 57 Ų | 57 | 29% | 0.292 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 175.3 | -173.7 | -151.5 | 0 | 0 | 0 | 112 | Y25 W28 E101 M102 K103 V107 S108 A111 | Y25-H105 HydrophobicContact CE2-CB 4.04Å; Y25-H105 AromaticContact CE2-ND1 3.37Å; Y25-H105 WeakPolarHBondContact CE2-ND1 3.46Å; Y25-H105 AromaticContact CZ-ND1 3.4Å; Y25-H105 PolarHBondContact OH-ND1 3.4Å; W28-H105 AromaticContact CZ3-CE1 3.8Å; W28-H105 AromaticContact CZ3-ND1 3.65Å; E101-H105 PolarHBondContact O-N 3.07Å; E101-H105 VanDerWaalsContact O-N 3.14Å; M102-H105 PolarHBondContact O-N 2.89Å; K103-H105 VanDerWaalsContact C-N 3.32Å; K103-H105 PolarHBondContact O-N 2.95Å; H105-V107 PolarHBondContact O-N 2.84Å; H105-S108 VanDerWaalsContact O-CB 3.24Å; H105-S108 WeakPolarHBondContact O-CB 3.46Å; H105-S108 PolarHBondContact O-N 3.33Å; H105-S108 PolarHBondContact O-OG 2.96Å; H105-A111 WeakPolarHBondContact O-CB 3.44Å |
| 106 | M | 94.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -28.1 | 177.6 | -71.6 | -176.3 | 84.1 | 0 | 0 | 114 | W28 T47 L50 R51 L54 M102 K103 | W28-M106 HydrophobicContact CH2-CB 4.3Å; W28-M106 HydrophobicContact CH2-CG 4Å; W28-M106 HydrophobicContact CZ2-CB 4.41Å; W28-M106 HydrophobicContact CZ2-CG 4.11Å; W28-M106 HydrophobicContact CZ3-CG 4.24Å; T47-M106 HydrophobicContact CG2-CE 3.84Å; L50-M106 HydrophobicContact CB-CE 4.26Å; L50-M106 HydrophobicContact CB-SD 4.47Å; L50-M106 HydrophobicContact CD2-CE 3.85Å; L50-M106 HydrophobicContact CD2-CG 4.24Å; L50-M106 HydrophobicContact CD2-SD 3.46Å; L50-M106 WeakPolarHBondContact CD2-SD 3.18Å; L50-M106 HydrophobicContact CG-CE 4.1Å; L50-M106 HydrophobicContact CG-SD 3.7Å; R51-M106 HydrophobicContact CG-CE 3.71Å; R51-M106 HydrophobicContact CG-SD 4.43Å; L54-M106 HydrophobicContact CD1-SD 3.94Å; M102-M106 VanDerWaalsContact O-CG 3.28Å; M102-M106 WeakPolarHBondContact O-CG 3.46Å; M102-M106 PolarHBondContact O-N 3.26Å; K103-M106 WeakPolarHBondContact O-CB 3.45Å; K103-M106 PolarHBondContact O-N 2.86Å; K103-M106 VanDerWaalsContact O-N 3.17Å |
| 107 | V | 93.4 | Very high | 91.4 | Very high | 98 Ų | 98 | 66.7 Ų | 66.7 | 59% | 0.594 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 4.4 | 176.6 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | K103 D104 H105 | K103-V107 WeakPolarHBondContact O-CG2 3.43Å; K103-V107 PolarHBondContact O-N 3.46Å; K103-V107 VanDerWaalsContact O-N 3.13Å; D104-V107 WeakPolarHBondContact O-CG2 3.38Å; D104-V107 PolarHBondContact O-N 3.36Å; H105-V107 PolarHBondContact O-N 2.84Å |
| 108 | S | 92.6 | Very high | 90.3 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -61.8 | 145.1 | -179.6 | 71.6 | 0 | 0 | 0 | 0 | 111 | D104 H105 T110 A111 V112 | D104-S108 PolarHBondContact O-N 3.16Å; H105-S108 VanDerWaalsContact O-CB 3.24Å; H105-S108 WeakPolarHBondContact O-CB 3.46Å; H105-S108 PolarHBondContact O-N 3.33Å; H105-S108 PolarHBondContact O-OG 2.96Å; S108-T110 PolarHBondContact O-N 2.98Å; S108-T110 VanDerWaalsContact O-N 3.09Å; S108-A111 PolarHBondContact O-N 3.41Å; S108-A111 WeakPolarHBondContact OG-CB 3.39Å; S108-A111 PolarHBondContact OG-N 3.04Å; S108-V112 WeakPolarHBondContact O-CG2 3.46Å; S108-V112 PolarHBondContact O-N 3.36Å |
| 109 | P | 86.2 | Confident | 89.2 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 71% | 0.714 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -54.5 | -33.7 | 179.1 | -27.3 | 34.7 | 0 | 0 | 0 | 113.2 | A113 | P109-A113 WeakPolarHBondContact O-CB 3.26Å; P109-A113 PolarHBondContact O-N 2.89Å |
| 110 | T | 85.2 | Confident | 87.9 | Confident | 112 Ų | 112 | 73.9 Ų | 73.9 | 69% | 0.687 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.1 | -48 | 177.2 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | S108 F114 | S108-T110 PolarHBondContact O-N 2.98Å; S108-T110 VanDerWaalsContact O-N 3.09Å; T110-F114 PolarHBondContact O-N 3.46Å |
| 111 | A | 86 | Confident | 86.4 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 2% | 0.017 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W28 L32 H105 S108 F114 L115 | W28-A111 HydrophobicContact CH2-CB 3.64Å; W28-A111 HydrophobicContact CZ2-CB 4.1Å; L32-A111 HydrophobicContact CD1-CB 4.18Å; H105-A111 WeakPolarHBondContact O-CB 3.44Å; S108-A111 PolarHBondContact O-N 3.41Å; S108-A111 WeakPolarHBondContact OG-CB 3.39Å; S108-A111 PolarHBondContact OG-N 3.04Å; A111-F114 PolarHBondContact O-N 2.9Å; A111-L115 WeakPolarHBondContact O-CG 3.17Å; A111-L115 PolarHBondContact O-N 3.34Å |
| 112 | V | 86.6 | Confident | 84.8 | Confident | 58 Ų | 58 | 72 Ų | 72 | 35% | 0.352 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 177.4 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | S108 F114 L115 E116 | S108-V112 WeakPolarHBondContact O-CG2 3.46Å; S108-V112 PolarHBondContact O-N 3.36Å; V112-F114 VanDerWaalsContact C-N 3.27Å; V112-F114 PolarHBondContact O-N 3.24Å; V112-L115 PolarHBondContact O-N 3Å; V112-E116 HydrophobicContact CG1-CG 4.35Å; V112-E116 WeakPolarHBondContact O-CG 3.46Å; V112-E116 PolarHBondContact O-N 3.01Å |
| 113 | A | 84.4 | Confident | 83 | Confident | 53 Ų | 53 | 78.7 Ų | 78.7 | 44% | 0.438 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.4 | -35.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P109 R117 | P109-A113 WeakPolarHBondContact O-CB 3.26Å; P109-A113 PolarHBondContact O-N 2.89Å; A113-R117 VanDerWaalsContact O-CB 3.29Å; A113-R117 WeakPolarHBondContact O-CB 3.46Å; A113-R117 PolarHBondContact O-N 3.13Å |
| 114 | F | 84 | Confident | 81.2 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 25% | 0.25 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.3 | -48.4 | 174 | -176.2 | -87.8 | 0 | 0 | 0 | 111.7 | L32 T110 A111 V112 E116 R117 N118 | L32-F114 VanDerWaalsContact C-CZ 3.49Å; L32-F114 HydrophobicContact CB-CD1 4.29Å; L32-F114 HydrophobicContact CB-CE1 4.39Å; L32-F114 HydrophobicContact CD2-CB 4.46Å; L32-F114 HydrophobicContact CD2-CD1 3.41Å; L32-F114 VanDerWaalsContact CD2-CD1 3.41Å; L32-F114 HydrophobicContact CD2-CE1 3.96Å; L32-F114 HydrophobicContact CD2-CG 4.16Å; L32-F114 HydrophobicContact CG-CD1 4.43Å; L32-F114 VanDerWaalsContact O-CD2 3.29Å; L32-F114 WeakPolarHBondContact O-CD2 3.24Å; L32-F114 WeakPolarHBondContact O-CE1 3.41Å; L32-F114 WeakPolarHBondContact O-CE2 3.28Å; L32-F114 WeakPolarHBondContact O-CZ 3.19Å; T110-F114 PolarHBondContact O-N 3.46Å; A111-F114 PolarHBondContact O-N 2.9Å; V112-F114 VanDerWaalsContact C-N 3.27Å; V112-F114 PolarHBondContact O-N 3.24Å; F114-E116 VanDerWaalsContact C-N 3.32Å; F114-E116 PolarHBondContact O-N 3.27Å; F114-R117 PolarHBondContact O-N 3.37Å; F114-N118 HydrophobicContact CE1-CB 4.47Å; F114-N118 WeakPolarHBondContact O-CB 3.37Å; F114-N118 PolarHBondContact O-N 3.03Å |
| 115 | L | 81.3 | Confident | 79.1 | Confident | 42 Ų | 42 | 77.6 Ų | 77.6 | 22% | 0.22 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 178.2 | -70.2 | 169.4 | 0 | 0 | 0 | 111.5 | L32 L43 A111 V112 N118 N119 | L32-L115 HydrophobicContact CD2-CD2 4.22Å; L32-L115 HydrophobicContact CD2-CG 4.33Å; L43-L115 HydrophobicContact CD1-CD2 4.49Å; L43-L115 HydrophobicContact CD2-CD2 3.65Å; L43-L115 HydrophobicContact CG-CD2 4.14Å; A111-L115 WeakPolarHBondContact O-CG 3.17Å; A111-L115 PolarHBondContact O-N 3.34Å; V112-L115 PolarHBondContact O-N 3Å; L115-N118 PolarHBondContact O-N 3.47Å; L115-N119 WeakPolarHBondContact O-CB 3.29Å; L115-N119 PolarHBondContact O-N 2.99Å |
| 116 | E | 82.9 | Confident | 76.8 | Confident | 121 Ų | 121 | 83.4 Ų | 83.4 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.4 | -44.7 | 174.8 | -73.7 | -177.6 | 172.2 | 0 | 0 | 112.3 | V112 F114 N119 R120 | V112-E116 HydrophobicContact CG1-CG 4.35Å; V112-E116 WeakPolarHBondContact O-CG 3.46Å; V112-E116 PolarHBondContact O-N 3.01Å; F114-E116 VanDerWaalsContact C-N 3.32Å; F114-E116 PolarHBondContact O-N 3.27Å; E116-N119 PolarHBondContact O-N 3.49Å; E116-R120 WeakPolarHBondContact O-CG 3.5Å; E116-R120 PolarHBondContact O-N 2.97Å |
| 117 | R | 79.3 | Confident | 74.3 | Confident | 158 Ų | 158 | 89.1 Ų | 89.1 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.9 | -48.6 | 176.1 | 179.8 | -174.4 | 174.9 | 108.5 | 8.6 | 111.1 | A113 F114 N119 R120 E121 | A113-R117 VanDerWaalsContact O-CB 3.29Å; A113-R117 WeakPolarHBondContact O-CB 3.46Å; A113-R117 PolarHBondContact O-N 3.13Å; F114-R117 PolarHBondContact O-N 3.37Å; R117-N119 PolarHBondContact O-N 2.82Å; R117-R120 PolarHBondContact O-N 3.37Å; R117-R120 VanDerWaalsContact O-N 3.1Å; R117-E121 IonicContact CZ-OE1 3.2Å; R117-E121 IonicContact NE-OE1 2.66Å; R117-E121 PolarHBondContact NE-OE1 3.17Å; R117-E121 IonicContact NH2-OE1 2.77Å; R117-E121 PolarHBondContact NH2-OE1 3.47Å; R117-E121 PolarHBondContact O-N 3.35Å |
| 118 | N | 75.9 | Confident | 71.8 | Confident | 9 Ų | 9 | 89.3 Ų | 89.3 | 5% | 0.048 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -53.2 | -48.1 | 176.1 | -176.1 | 10 | 0 | 0 | 0 | 109 | A36 R40 F114 L115 R120 E121 | A36-N118 WeakPolarHBondContact CA-OD1 3.33Å; A36-N118 HydrophobicContact CB-CB 4.33Å; A36-N118 WeakPolarHBondContact CB-OD1 3.47Å; A36-N118 PolarHBondContact O-OD1 3.07Å; A36-N118 VanDerWaalsContact O-OD1 3.06Å; R40-N118 PolarHBondContact NH2-O 2.75Å; R40-N118 PolarHBondContact NH2-OD1 3.45Å; F114-N118 HydrophobicContact CE1-CB 4.47Å; F114-N118 WeakPolarHBondContact O-CB 3.37Å; F114-N118 PolarHBondContact O-N 3.03Å; L115-N118 PolarHBondContact O-N 3.47Å; N118-R120 PolarHBondContact O-N 3.3Å; N118-E121 PolarHBondContact O-N 3.36Å |
| 119 | N | 74.6 | Confident | 69.5 | Low | 82 Ų | 82 | 92.9 Ų | 92.9 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.9 | -40.2 | 178.2 | -152.1 | 23.2 | 0 | 0 | 0 | 113.8 | R40 L115 E116 R117 L123 | R40-N119 PolarHBondContact NH1-OD1 3.18Å; L115-N119 WeakPolarHBondContact O-CB 3.29Å; L115-N119 PolarHBondContact O-N 2.99Å; E116-N119 PolarHBondContact O-N 3.49Å; R117-N119 PolarHBondContact O-N 2.82Å; N119-L123 PolarHBondContact O-N 3.3Å |
| 120 | R | 73.1 | Confident | 67.7 | Low | 186 Ų | 186 | 96.4 Ų | 96.4 | 70% | 0.702 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70 | -35.3 | 178 | -70.9 | 177.4 | 74.9 | -175.8 | 4.3 | 113.7 | E116 R117 N118 I122 L123 A124 | E116-R120 WeakPolarHBondContact O-CG 3.5Å; E116-R120 PolarHBondContact O-N 2.97Å; R117-R120 PolarHBondContact O-N 3.37Å; R117-R120 VanDerWaalsContact O-N 3.1Å; N118-R120 PolarHBondContact O-N 3.3Å; R120-I122 PolarHBondContact O-N 3.49Å; R120-L123 PolarHBondContact O-N 3.02Å; R120-A124 WeakPolarHBondContact O-CB 3.43Å; R120-A124 PolarHBondContact O-N 3.14Å |
| 121 | E | 66.8 | Low | 65.4 | Low | 82 Ų | 82 | 101.3 Ų | 101.3 | 38% | 0.383 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.3 | -25.6 | 178.9 | -76.9 | -176.1 | -177 | 0 | 0 | 112.9 | A36 R117 N118 | A36-E121 HydrophobicContact CB-CB 4.36Å; A36-E121 VanDerWaalsContact CB-OE2 3.28Å; A36-E121 WeakPolarHBondContact CB-OE2 3.24Å; R117-E121 IonicContact CZ-OE1 3.2Å; R117-E121 IonicContact NE-OE1 2.66Å; R117-E121 PolarHBondContact NE-OE1 3.17Å; R117-E121 IonicContact NH2-OE1 2.77Å; R117-E121 PolarHBondContact NH2-OE1 3.47Å; R117-E121 PolarHBondContact O-N 3.35Å; N118-E121 PolarHBondContact O-N 3.36Å |
| 122 | I | 63.1 | Low | 63.2 | Low | 92 Ų | 92 | 106.1 Ų | 106.1 | 47% | 0.472 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -80.4 | -46.7 | 173.7 | -65.3 | -159.1 | 0 | 0 | 0 | 112 | R40 R120 A124 G125 | R40-I122 VanDerWaalsContact NE-CD1 3.26Å; R40-I122 VanDerWaalsContact NH2-CG1 3.34Å; R120-I122 PolarHBondContact O-N 3.49Å; I122-A124 PolarHBondContact O-N 3.09Å; I122-G125 PolarHBondContact O-N 3.05Å; I122-G125 VanDerWaalsContact O-N 3.16Å |
| 123 | L | 61.7 | Low | 61.1 | Low | 145 Ų | 145 | 109.1 Ų | 109.1 | 76% | 0.759 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.5 | -32.4 | 176.9 | -80 | 159.8 | 0 | 0 | 0 | 112.4 | N119 R120 G125 | N119-L123 PolarHBondContact O-N 3.3Å; R120-L123 PolarHBondContact O-N 3.02Å; L123-G125 VanDerWaalsContact C-N 3.3Å |
| 124 | A | 60.9 | Low | 59.2 | Low | 71 Ų | 71 | 110.7 Ų | 110.7 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 2.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R120 I122 K126 | R120-A124 WeakPolarHBondContact O-CB 3.43Å; R120-A124 PolarHBondContact O-N 3.14Å; I122-A124 PolarHBondContact O-N 3.09Å; A124-K126 PolarHBondContact O-N 3.46Å |
| 125 | G | 53.5 | Low | 57.5 | Low | 59 Ų | 59 | 114.4 Ų | 114.4 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 25.9 | 74.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I122 L123 | I122-G125 PolarHBondContact O-N 3.05Å; I122-G125 VanDerWaalsContact O-N 3.16Å; L123-G125 VanDerWaalsContact C-N 3.3Å |
| 126 | K | 46.8 | Very low | 55.9 | Low | 185 Ų | 185 | 120.3 Ų | 120.3 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | trans | 51.5 | 122.9 | -176.1 | -84.3 | -179.7 | 170.6 | 177.2 | 0 | 115 | A124 A128 | A124-K126 PolarHBondContact O-N 3.46Å; K126-A128 PolarHBondContact O-N 2.93Å | ||
| 127 | P | 42.6 | Very low | 54.4 | Low | 127 Ų | 127 | 120.8 Ų | 120.8 | 83% | 0.825 | 67% | 0.669 | S | S | * | * | trans | -68.7 | 107.4 | 159.9 | 29.8 | -28.3 | 0 | 0 | 0 | 107.9 | A129 | P127-A129 PolarHBondContact O-N 3.42Š| ||
| 128 | A | 40.3 | Very low | 53 | Low | 101 Ų | 101 | 117.8 Ų | 117.8 | 84% | 0.835 | 67% | 0.665 | S | S | * | * | trans | -62.5 | 99.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108 | K126 Q130 | K126-A128 PolarHBondContact O-N 2.93Å; A128-Q130 PolarHBondContact O-N 3.39Å; A128-Q130 VanDerWaalsContact O-N 3.07Å | ||
| 129 | A | 44.3 | Very low | 51.8 | Low | 99 Ų | 99 | 121 Ų | 121 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -64.8 | 107 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | P127 | P127-A129 PolarHBondContact O-N 3.42Š| ||
| 130 | Q | 49.1 | Very low | 50.7 | Low | 183 Ų | 183 | 121.5 Ų | 121.5 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | 15.3 | 116.9 | 158.3 | -63.6 | -178 | -66.5 | 0 | 0 | 118.4 | A128 | A128-Q130 PolarHBondContact O-N 3.39Å; A128-Q130 VanDerWaalsContact O-N 3.07Å | ||
| 131 | K | 36.5 | Very low | 50 | Low | 215 Ų | 215 | 115.1 Ų | 115.1 | 94% | 0.935 | 69% | 0.69 | S | S | * | * | trans | -171.1 | 120.2 | 131.7 | -99.1 | 161.5 | -169.9 | -176.6 | 0 | 110.3 | ||||
| 132 | S | 38.9 | Very low | 49.5 | Very low | 104 Ų | 104 | 114.8 Ų | 114.8 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | -72 | 154 | 165.7 | 21.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 133 | P | 44 | Very low | 49.4 | Very low | 121 Ų | 121 | 113.7 Ų | 113.7 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | -148.5 | 83.2 | 55 | 36.2 | -11.7 | 0 | 0 | 0 | 114.2 | |||||
| 134 | S | 42.9 | Very low | 49.4 | Very low | 85 Ų | 85 | 109.7 Ų | 109.7 | 59% | 0.594 | 68% | 0.681 | S | S | * | * | trans | -129 | 41.9 | 177.4 | -80.1 | 0 | 0 | 0 | 0 | 112.6 | L136 L137 | S134-L136 PolarHBondContact O-N 2.96Å; S134-L137 PolarHBondContact O-N 3.34Å | ||
| 135 | D | 47.9 | Very low | 49.7 | Very low | 135 Ų | 135 | 110 Ų | 110 | 72% | 0.722 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 9 | -179.6 | -69.2 | -23.2 | 0 | 0 | 0 | 114.9 | ||
| 136 | L | 49 | Very low | 50.5 | Low | 167 Ų | 167 | 109.9 Ų | 109.9 | 87% | 0.874 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -12.2 | 176 | -68.5 | 175.6 | 0 | 0 | 0 | 114.1 | S134 | S134-L136 PolarHBondContact O-N 2.96Š|
| 137 | L | 51.5 | Low | 51.6 | Low | 130 Ų | 130 | 110 Ų | 110 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -14.3 | 176.9 | -65.3 | 173.5 | 0 | 0 | 0 | 113.1 | S134 S140 A141 | S134-L137 PolarHBondContact O-N 3.34Å; L137-S140 PolarHBondContact O-N 2.94Å; L137-A141 PolarHBondContact O-N 2.95Å |
| 138 | D | 50.4 | Low | 53.2 | Low | 95 Ų | 95 | 110.7 Ų | 110.7 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -71 | -36.5 | -175.1 | -164.2 | 30.4 | 0 | 0 | 0 | 112.8 | S140 A141 V142 | D138-S140 VanDerWaalsContact C-N 3.26Å; D138-S140 PolarHBondContact O-N 3.3Å; D138-A141 PolarHBondContact O-N 2.91Å; D138-V142 WeakPolarHBondContact O-CB 3.34Å; D138-V142 WeakPolarHBondContact O-CG2 3.19Å; D138-V142 PolarHBondContact O-N 3.21Å |
| 139 | A | 50.1 | Low | 55 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.6 | -30.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | S143 | A139-S143 WeakPolarHBondContact O-CB 3.17Å; A139-S143 PolarHBondContact O-N 3.38Å |
| 140 | S | 52.1 | Low | 56.7 | Low | 91 Ų | 91 | 112 Ų | 112 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -79.4 | -41.6 | 178.2 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | L137 D138 S143 A144 | L137-S140 PolarHBondContact O-N 2.94Å; D138-S140 VanDerWaalsContact C-N 3.26Å; D138-S140 PolarHBondContact O-N 3.3Å; S140-S143 PolarHBondContact O-N 3.43Å; S140-A144 PolarHBondContact O-N 3.33Å |
| 141 | A | 56.7 | Low | 58.2 | Low | 53 Ų | 53 | 109.1 Ų | 109.1 | 44% | 0.438 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.5 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L137 D138 S143 A144 T145 | L137-A141 PolarHBondContact O-N 2.95Å; D138-A141 PolarHBondContact O-N 2.91Å; A141-S143 VanDerWaalsContact C-N 3.33Å; A141-A144 PolarHBondContact O-N 2.97Å; A141-T145 WeakPolarHBondContact O-CB 3.41Å; A141-T145 PolarHBondContact O-N 2.64Å; A141-T145 PolarHBondContact O-OG1 2.91Å |
| 142 | V | 58 | Low | 60.3 | Low | 75 Ų | 75 | 102.8 Ų | 102.8 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -36.2 | 174.4 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | D138 S146 | D138-V142 WeakPolarHBondContact O-CB 3.34Å; D138-V142 WeakPolarHBondContact O-CG2 3.19Å; D138-V142 PolarHBondContact O-N 3.21Å; V142-S146 WeakPolarHBondContact O-CB 3.37Å; V142-S146 PolarHBondContact O-N 2.98Å; V142-S146 PolarHBondContact O-OG 3.33Å |
| 143 | S | 61.1 | Low | 62.4 | Low | 69 Ų | 69 | 103.8 Ų | 103.8 | 48% | 0.483 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.5 | -42.1 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 112.7 | A139 S140 A141 S146 R147 | A139-S143 WeakPolarHBondContact O-CB 3.17Å; A139-S143 PolarHBondContact O-N 3.38Å; S140-S143 PolarHBondContact O-N 3.43Å; A141-S143 VanDerWaalsContact C-N 3.33Å; S143-S146 PolarHBondContact O-N 2.85Å; S143-R147 PolarHBondContact O-N 2.85Å |
| 144 | A | 60.1 | Low | 64.2 | Low | 60 Ų | 60 | 100.7 Ų | 100.7 | 50% | 0.496 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.2 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S140 A141 R147 Y148 | S140-A144 PolarHBondContact O-N 3.33Å; A141-A144 PolarHBondContact O-N 2.97Å; A144-R147 PolarHBondContact O-N 2.96Å; A144-Y148 WeakPolarHBondContact O-CB 3.5Å; A144-Y148 PolarHBondContact O-N 3.46Å |
| 145 | T | 67.1 | Low | 66 | Low | 78 Ų | 78 | 99.4 Ų | 99.4 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 176.8 | -56 | 0 | 0 | 0 | 0 | 111.6 | A141 Y148 I149 | A141-T145 WeakPolarHBondContact O-CB 3.41Å; A141-T145 PolarHBondContact O-N 2.64Å; A141-T145 PolarHBondContact O-OG1 2.91Å; T145-Y148 PolarHBondContact O-N 2.96Å; T145-I149 HydrophobicContact CG2-CD1 4.04Å; T145-I149 VanDerWaalsContact O-CG1 3.29Å; T145-I149 WeakPolarHBondContact O-CG1 3.34Å; T145-I149 PolarHBondContact O-N 3.45Å |
| 146 | S | 70.3 | Confident | 67.4 | Low | 56 Ų | 56 | 99 Ų | 99 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | V142 S143 Y148 I149 E150 | V142-S146 WeakPolarHBondContact O-CB 3.37Å; V142-S146 PolarHBondContact O-N 2.98Å; V142-S146 PolarHBondContact O-OG 3.33Å; S143-S146 PolarHBondContact O-N 2.85Å; S146-Y148 PolarHBondContact O-N 2.81Å; S146-I149 PolarHBondContact O-N 3.38Å; S146-E150 WeakPolarHBondContact O-CG 3.38Å; S146-E150 PolarHBondContact O-N 3.43Å |
| 147 | R | 71.2 | Confident | 69 | Low | 188 Ų | 188 | 96 Ų | 96 | 71% | 0.709 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61 | -42 | 173.7 | -92.6 | -175.3 | 159.4 | -175.8 | -5.6 | 112.9 | S143 A144 I149 E150 E151 | S143-R147 PolarHBondContact O-N 2.85Å; A144-R147 PolarHBondContact O-N 2.96Å; R147-I149 VanDerWaalsContact C-N 3.34Å; R147-E150 PolarHBondContact O-N 2.89Å; R147-E151 WeakPolarHBondContact O-CB 3.46Å; R147-E151 PolarHBondContact O-N 3.05Å |
| 148 | Y | 75.9 | Confident | 70.5 | Confident | 141 Ų | 141 | 95.6 Ų | 95.6 | 55% | 0.553 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -39.3 | 177.9 | -178.4 | -102.3 | 0 | 0 | 0 | 111.9 | A144 T145 S146 E151 Q152 | A144-Y148 WeakPolarHBondContact O-CB 3.5Å; A144-Y148 PolarHBondContact O-N 3.46Å; T145-Y148 PolarHBondContact O-N 2.96Å; S146-Y148 PolarHBondContact O-N 2.81Å; Y148-E151 PolarHBondContact O-N 3.1Å; Y148-Q152 HydrophobicContact CD1-CG 4.32Å; Y148-Q152 HydrophobicContact CE1-CG 3.93Å; Y148-Q152 HydrophobicContact CE2-CG 4.31Å; Y148-Q152 WeakPolarHBondContact O-CB 3.29Å; Y148-Q152 WeakPolarHBondContact O-CG 3.47Å; Y148-Q152 PolarHBondContact O-N 2.85Å |
| 149 | I | 77.4 | Confident | 71.9 | Confident | 97 Ų | 97 | 95 Ų | 95 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 175.3 | -68.5 | 168.4 | 0 | 0 | 0 | 110.9 | T145 S146 R147 E151 Q152 Q153 | T145-I149 HydrophobicContact CG2-CD1 4.04Å; T145-I149 VanDerWaalsContact O-CG1 3.29Å; T145-I149 WeakPolarHBondContact O-CG1 3.34Å; T145-I149 PolarHBondContact O-N 3.45Å; S146-I149 PolarHBondContact O-N 3.38Å; R147-I149 VanDerWaalsContact C-N 3.34Å; I149-E151 VanDerWaalsContact C-N 3.33Å; I149-E151 PolarHBondContact O-N 3.37Å; I149-Q152 PolarHBondContact O-N 3.4Å; I149-Q153 WeakPolarHBondContact O-CB 3.36Å; I149-Q153 PolarHBondContact O-N 3.22Å |
| 150 | E | 80.3 | Confident | 73.2 | Confident | 131 Ų | 131 | 96.4 Ų | 96.4 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 175.7 | -75.7 | 174.9 | -177.3 | 0 | 0 | 111.9 | S146 R147 Q153 A154 | S146-E150 WeakPolarHBondContact O-CG 3.38Å; S146-E150 PolarHBondContact O-N 3.43Å; R147-E150 PolarHBondContact O-N 2.89Å; E150-Q153 PolarHBondContact O-N 3.25Å; E150-A154 WeakPolarHBondContact O-CB 3.29Å; E150-A154 PolarHBondContact O-N 3.41Å |
| 151 | E | 80.3 | Confident | 74.6 | Confident | 122 Ų | 122 | 96.4 Ų | 96.4 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.1 | -41.3 | 177.3 | -174.5 | 173.2 | -153.7 | 0 | 0 | 112.3 | R147 Y148 I149 A154 T155 | R147-E151 WeakPolarHBondContact O-CB 3.46Å; R147-E151 PolarHBondContact O-N 3.05Å; Y148-E151 PolarHBondContact O-N 3.1Å; I149-E151 VanDerWaalsContact C-N 3.33Å; I149-E151 PolarHBondContact O-N 3.37Å; E151-A154 PolarHBondContact O-N 2.95Å; E151-T155 WeakPolarHBondContact O-CB 3.37Å; E151-T155 PolarHBondContact O-N 3.41Å; E151-T155 PolarHBondContact O-OG1 2.93Å |
| 152 | Q | 81.2 | Confident | 75.7 | Confident | 82 Ų | 82 | 99.7 Ų | 99.7 | 38% | 0.383 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -39 | 174.2 | -73.7 | -59.8 | -53.1 | 0 | 0 | 112 | Y148 I149 T155 Q156 | Y148-Q152 HydrophobicContact CD1-CG 4.32Å; Y148-Q152 HydrophobicContact CE1-CG 3.93Å; Y148-Q152 HydrophobicContact CE2-CG 4.31Å; Y148-Q152 WeakPolarHBondContact O-CB 3.29Å; Y148-Q152 WeakPolarHBondContact O-CG 3.47Å; Y148-Q152 PolarHBondContact O-N 2.85Å; I149-Q152 PolarHBondContact O-N 3.4Å; Q152-T155 PolarHBondContact O-N 3.15Å; Q152-Q156 PolarHBondContact O-N 3.23Å |
| 153 | Q | 82.2 | Confident | 76.3 | Confident | 125 Ų | 125 | 101.4 Ų | 101.4 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -40.6 | 177.8 | -164.6 | 173.6 | 4.5 | 0 | 0 | 111.4 | I149 E150 T155 Q156 Q157 | I149-Q153 WeakPolarHBondContact O-CB 3.36Å; I149-Q153 PolarHBondContact O-N 3.22Å; E150-Q153 PolarHBondContact O-N 3.25Å; Q153-T155 VanDerWaalsContact C-N 3.33Å; Q153-T155 PolarHBondContact O-N 3.16Å; Q153-Q156 PolarHBondContact O-N 2.88Å; Q153-Q157 PolarHBondContact O-N 3.43Å |
| 154 | A | 82.6 | Confident | 77 | Confident | 57 Ų | 57 | 103.1 Ų | 103.1 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E150 E151 Q157 L158 | E150-A154 WeakPolarHBondContact O-CB 3.29Å; E150-A154 PolarHBondContact O-N 3.41Å; E151-A154 PolarHBondContact O-N 2.95Å; A154-Q157 WeakPolarHBondContact O-CB 3.42Å; A154-Q157 PolarHBondContact O-N 3.16Å; A154-L158 PolarHBondContact O-N 3.32Å; A154-L158 VanDerWaalsContact O-N 3.14Å |
| 155 | T | 80.4 | Confident | 77.8 | Confident | 57 Ų | 57 | 106.1 Ų | 106.1 | 35% | 0.35 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.6 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | E151 Q152 Q153 Q157 L158 I159 | E151-T155 WeakPolarHBondContact O-CB 3.37Å; E151-T155 PolarHBondContact O-N 3.41Å; E151-T155 PolarHBondContact O-OG1 2.93Å; Q152-T155 PolarHBondContact O-N 3.15Å; Q153-T155 VanDerWaalsContact C-N 3.33Å; Q153-T155 PolarHBondContact O-N 3.16Å; T155-Q157 VanDerWaalsContact C-N 3.29Å; T155-Q157 PolarHBondContact O-N 3.2Å; T155-L158 PolarHBondContact O-N 3.04Å; T155-I159 HydrophobicContact CG2-CD1 4.12Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 3.34Å |
| 156 | Q | 77.1 | Confident | 78 | Confident | 126 Ų | 126 | 107.5 Ų | 107.5 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -36.9 | 174.6 | -82.3 | -176.1 | 8.2 | 0 | 0 | 112.3 | Q152 Q153 I159 M160 | Q152-Q156 PolarHBondContact O-N 3.23Å; Q153-Q156 PolarHBondContact O-N 2.88Å; Q156-I159 PolarHBondContact O-N 2.9Å; Q156-M160 WeakPolarHBondContact O-CG 3.36Å; Q156-M160 PolarHBondContact O-N 3.37Å |
| 157 | Q | 83.7 | Confident | 78.1 | Confident | 106 Ų | 106 | 110.1 Ų | 110.1 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 176 | -157.6 | 71.9 | 46.3 | 0 | 0 | 111.6 | Q153 A154 T155 I159 M160 D161 | Q153-Q157 PolarHBondContact O-N 3.43Å; A154-Q157 WeakPolarHBondContact O-CB 3.42Å; A154-Q157 PolarHBondContact O-N 3.16Å; T155-Q157 VanDerWaalsContact C-N 3.29Å; T155-Q157 PolarHBondContact O-N 3.2Å; Q157-I159 VanDerWaalsContact C-N 3.34Å; Q157-I159 PolarHBondContact O-N 3.18Å; Q157-M160 PolarHBondContact O-N 3.03Å; Q157-D161 PolarHBondContact O-N 2.76Å |
| 158 | L | 81.6 | Confident | 78.3 | Confident | 120 Ų | 120 | 108.2 Ų | 108.2 | 63% | 0.628 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -38.8 | 175.9 | -70.4 | 172.2 | 0 | 0 | 0 | 112.4 | A154 T155 M160 D161 E162 | A154-L158 PolarHBondContact O-N 3.32Å; A154-L158 VanDerWaalsContact O-N 3.14Å; T155-L158 PolarHBondContact O-N 3.04Å; L158-M160 VanDerWaalsContact C-N 3.35Å; L158-D161 PolarHBondContact O-N 3.45Å; L158-E162 WeakPolarHBondContact O-CB 3.46Å; L158-E162 PolarHBondContact O-N 3.04Å |
| 159 | I | 80.4 | Confident | 78.1 | Confident | 82 Ų | 82 | 107.1 Ų | 107.1 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 176.5 | -66.9 | 165.9 | 0 | 0 | 0 | 110.8 | T155 Q156 Q157 Q163 | T155-I159 HydrophobicContact CG2-CD1 4.12Å; T155-I159 WeakPolarHBondContact O-CG1 3.42Å; T155-I159 PolarHBondContact O-N 3.34Å; Q156-I159 PolarHBondContact O-N 2.9Å; Q157-I159 VanDerWaalsContact C-N 3.34Å; Q157-I159 PolarHBondContact O-N 3.18Å; I159-Q163 WeakPolarHBondContact O-CB 3.42Å; I159-Q163 VanDerWaalsContact O-CG 3.26Å; I159-Q163 WeakPolarHBondContact O-CG 3.36Å; I159-Q163 PolarHBondContact O-N 3.29Å |
| 160 | M | 78.2 | Confident | 77.9 | Confident | 109 Ų | 109 | 106.2 Ų | 106.2 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 175.5 | -72.9 | -177.8 | 71.4 | 0 | 0 | 111.7 | Q156 Q157 L158 E162 Q163 D164 | Q156-M160 WeakPolarHBondContact O-CG 3.36Å; Q156-M160 PolarHBondContact O-N 3.37Å; Q157-M160 PolarHBondContact O-N 3.03Å; L158-M160 VanDerWaalsContact C-N 3.35Å; M160-E162 VanDerWaalsContact C-N 3.35Å; M160-E162 PolarHBondContact O-N 2.99Å; M160-Q163 PolarHBondContact O-N 3.47Å; M160-D164 PolarHBondContact O-N 3.49Å |
| 161 | D | 80.5 | Confident | 77.4 | Confident | 90 Ų | 90 | 103 Ų | 103 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 177.9 | -73.2 | -5 | 0 | 0 | 0 | 111.8 | Q157 L158 D164 Q165 | Q157-D161 PolarHBondContact O-N 2.76Å; L158-D161 PolarHBondContact O-N 3.45Å; D161-D164 PolarHBondContact O-N 2.75Å; D161-Q165 PolarHBondContact O-N 3.35Å |
| 162 | E | 79.3 | Confident | 76.9 | Confident | 123 Ų | 123 | 98.6 Ų | 98.6 | 58% | 0.575 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.4 | -37.7 | 176 | -174.2 | 164.3 | -166 | 0 | 0 | 111.9 | L158 M160 Q165 Q166 | L158-E162 WeakPolarHBondContact O-CB 3.46Å; L158-E162 PolarHBondContact O-N 3.04Å; M160-E162 VanDerWaalsContact C-N 3.35Å; M160-E162 PolarHBondContact O-N 2.99Å; E162-Q165 PolarHBondContact O-N 2.91Å; E162-Q166 WeakPolarHBondContact O-CG 3.2Å; E162-Q166 PolarHBondContact O-N 3.4Å |
| 163 | Q | 71.7 | Confident | 76.3 | Confident | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 174 | -74.2 | 177.3 | 14.6 | 0 | 0 | 112.3 | I159 M160 Q165 Q166 L167 | I159-Q163 WeakPolarHBondContact O-CB 3.42Å; I159-Q163 VanDerWaalsContact O-CG 3.26Å; I159-Q163 WeakPolarHBondContact O-CG 3.36Å; I159-Q163 PolarHBondContact O-N 3.29Å; M160-Q163 PolarHBondContact O-N 3.47Å; Q163-Q165 VanDerWaalsContact C-N 3.32Å; Q163-Q165 PolarHBondContact O-N 2.95Å; Q163-Q166 WeakPolarHBondContact O-CB 3.28Å; Q163-Q166 PolarHBondContact O-N 3.16Å; Q163-L167 WeakPolarHBondContact O-CG 3.49Å; Q163-L167 PolarHBondContact O-N 2.81Å |
| 164 | D | 76.4 | Confident | 75.9 | Confident | 106 Ų | 106 | 97 Ų | 97 | 57% | 0.567 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.2 | -39.3 | 174.7 | -91.3 | -3.2 | 0 | 0 | 0 | 111.4 | M160 D161 Q166 L167 E168 | M160-D164 PolarHBondContact O-N 3.49Å; D161-D164 PolarHBondContact O-N 2.75Å; D164-Q166 VanDerWaalsContact C-N 3.33Å; D164-Q166 PolarHBondContact O-N 3.36Å; D164-L167 PolarHBondContact O-N 3.04Å; D164-E168 PolarHBondContact O-N 2.75Å |
| 165 | Q | 75.9 | Confident | 75.3 | Confident | 122 Ų | 122 | 100.8 Ų | 100.8 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -37.5 | 173.8 | -165.8 | 177 | 19.2 | 0 | 0 | 112.1 | D161 E162 Q163 E168 M169 | D161-Q165 PolarHBondContact O-N 3.35Å; E162-Q165 PolarHBondContact O-N 2.91Å; Q163-Q165 VanDerWaalsContact C-N 3.32Å; Q163-Q165 PolarHBondContact O-N 2.95Å; Q165-E168 PolarHBondContact O-N 3.37Å; Q165-M169 WeakPolarHBondContact O-CG 3.14Å; Q165-M169 PolarHBondContact O-N 3.49Å; Q165-M169 VanDerWaalsContact O-N 3.13Å |
| 166 | Q | 70.5 | Confident | 74.9 | Confident | 107 Ų | 107 | 102 Ų | 102 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 173.3 | -72.8 | -173 | -12.8 | 0 | 0 | 112.3 | E162 Q163 D164 E168 M169 V170 | E162-Q166 WeakPolarHBondContact O-CG 3.2Å; E162-Q166 PolarHBondContact O-N 3.4Å; Q163-Q166 WeakPolarHBondContact O-CB 3.28Å; Q163-Q166 PolarHBondContact O-N 3.16Å; D164-Q166 VanDerWaalsContact C-N 3.33Å; D164-Q166 PolarHBondContact O-N 3.36Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; Q166-E168 PolarHBondContact O-N 3.48Å; Q166-M169 HydrophobicContact CB-CE 4.46Å; Q166-M169 HydrophobicContact CG-CE 3.97Å; Q166-M169 PolarHBondContact O-N 2.92Å; Q166-V170 VanDerWaalsContact O-CG2 3.31Å; Q166-V170 WeakPolarHBondContact O-CG2 3.32Å; Q166-V170 PolarHBondContact O-N 3.34Å |
| 167 | L | 73.7 | Confident | 74.7 | Confident | 112 Ų | 112 | 101.5 Ų | 101.5 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 174.4 | -71.5 | 174.3 | 0 | 0 | 0 | 112 | Q163 D164 V170 S171 | Q163-L167 WeakPolarHBondContact O-CG 3.49Å; Q163-L167 PolarHBondContact O-N 2.81Å; D164-L167 PolarHBondContact O-N 3.04Å; L167-V170 PolarHBondContact O-N 3.31Å; L167-S171 VanDerWaalsContact O-CB 3.29Å; L167-S171 WeakPolarHBondContact O-CB 3.34Å; L167-S171 PolarHBondContact O-N 3.3Å |
| 168 | E | 75.4 | Confident | 74.4 | Confident | 148 Ų | 148 | 104.3 Ų | 104.3 | 69% | 0.692 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 173.3 | -169.8 | 177.8 | -169.9 | 0 | 0 | 111.8 | D164 Q165 Q166 S171 G172 | D164-E168 PolarHBondContact O-N 2.75Å; Q165-E168 PolarHBondContact O-N 3.37Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; Q166-E168 PolarHBondContact O-N 3.48Å; E168-S171 WeakPolarHBondContact O-CB 3.02Å; E168-S171 PolarHBondContact O-N 2.8Å; E168-G172 PolarHBondContact O-N 2.92Å |
| 169 | M | 71.9 | Confident | 74 | Confident | 117 Ų | 117 | 104.5 Ų | 104.5 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | 175.8 | -69.4 | -168.7 | -67.1 | 0 | 0 | 112.8 | Q165 Q166 G172 S173 | Q165-M169 WeakPolarHBondContact O-CG 3.14Å; Q165-M169 PolarHBondContact O-N 3.49Å; Q165-M169 VanDerWaalsContact O-N 3.13Å; Q166-M169 HydrophobicContact CB-CE 4.46Å; Q166-M169 HydrophobicContact CG-CE 3.97Å; Q166-M169 PolarHBondContact O-N 2.92Å; M169-G172 PolarHBondContact O-N 2.95Å; M169-S173 PolarHBondContact O-N 3.34Å; M169-S173 VanDerWaalsContact O-N 3.08Å; M169-S173 PolarHBondContact O-OG 3.06Å; M169-S173 VanDerWaalsContact O-OG 3.05Å |
| 170 | V | 73.6 | Confident | 73.5 | Confident | 79 Ų | 79 | 105.8 Ų | 105.8 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | Q166 L167 G172 S173 I174 | Q166-V170 VanDerWaalsContact O-CG2 3.31Å; Q166-V170 WeakPolarHBondContact O-CG2 3.32Å; Q166-V170 PolarHBondContact O-N 3.34Å; L167-V170 PolarHBondContact O-N 3.31Å; V170-G172 VanDerWaalsContact C-N 3.33Å; V170-G172 PolarHBondContact O-N 3.34Å; V170-S173 CarbonylContact O-C 3.37Å; V170-S173 WeakPolarHBondContact O-CA 3.38Å; V170-S173 WeakPolarHBondContact O-CB 3.29Å; V170-S173 PolarHBondContact O-N 3.25Å; V170-S173 VanDerWaalsContact O-N 3.08Å; V170-I174 HydrophobicContact CG1-CD1 4.13Å; V170-I174 WeakPolarHBondContact O-CG1 3.5Å; V170-I174 PolarHBondContact O-N 2.69Å |
| 171 | S | 68.9 | Low | 73.3 | Confident | 62 Ų | 62 | 104.7 Ų | 104.7 | 43% | 0.434 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 173.4 | -177.1 | 0 | 0 | 0 | 0 | 112 | L167 E168 S173 I174 Q175 | L167-S171 VanDerWaalsContact O-CB 3.29Å; L167-S171 WeakPolarHBondContact O-CB 3.34Å; L167-S171 PolarHBondContact O-N 3.3Å; E168-S171 WeakPolarHBondContact O-CB 3.02Å; E168-S171 PolarHBondContact O-N 2.8Å; S171-S173 VanDerWaalsContact C-N 3.32Å; S171-S173 PolarHBondContact O-N 2.91Å; S171-I174 PolarHBondContact O-N 2.82Å; S171-Q175 PolarHBondContact O-N 3.38Å |
| 172 | G | 70.1 | Confident | 73.2 | Confident | 30 Ų | 30 | 102.1 Ų | 102.1 | 31% | 0.309 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E168 M169 V170 I174 Q175 V176 | E168-G172 PolarHBondContact O-N 2.92Å; M169-G172 PolarHBondContact O-N 2.95Å; V170-G172 VanDerWaalsContact C-N 3.33Å; V170-G172 PolarHBondContact O-N 3.34Å; G172-I174 PolarHBondContact O-N 3.1Å; G172-Q175 WeakPolarHBondContact O-CB 3.46Å; G172-Q175 PolarHBondContact O-N 2.94Å; G172-V176 WeakPolarHBondContact O-CG2 2.99Å; G172-V176 PolarHBondContact O-N 3.38Å |
| 173 | S | 67.7 | Low | 72.9 | Confident | 69 Ų | 69 | 104.3 Ų | 104.3 | 48% | 0.483 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.8 | -35 | 176.3 | -55.8 | 0 | 0 | 0 | 0 | 112.5 | M169 V170 S171 V176 L177 | M169-S173 PolarHBondContact O-N 3.34Å; M169-S173 VanDerWaalsContact O-N 3.08Å; M169-S173 PolarHBondContact O-OG 3.06Å; M169-S173 VanDerWaalsContact O-OG 3.05Å; V170-S173 CarbonylContact O-C 3.37Å; V170-S173 WeakPolarHBondContact O-CA 3.38Å; V170-S173 WeakPolarHBondContact O-CB 3.29Å; V170-S173 PolarHBondContact O-N 3.25Å; V170-S173 VanDerWaalsContact O-N 3.08Å; S171-S173 VanDerWaalsContact C-N 3.32Å; S171-S173 PolarHBondContact O-N 2.91Å; S173-V176 PolarHBondContact O-N 3.22Å; S173-L177 PolarHBondContact O-N 2.98Å |
| 174 | I | 74.3 | Confident | 72.9 | Confident | 104 Ų | 104 | 102.8 Ų | 102.8 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 172.5 | -71.4 | 168.3 | 0 | 0 | 0 | 111 | V170 S171 G172 L177 K178 | V170-I174 HydrophobicContact CG1-CD1 4.13Å; V170-I174 WeakPolarHBondContact O-CG1 3.5Å; V170-I174 PolarHBondContact O-N 2.69Å; S171-I174 PolarHBondContact O-N 2.82Å; G172-I174 PolarHBondContact O-N 3.1Å; I174-L177 PolarHBondContact O-N 3.34Å; I174-K178 VanDerWaalsContact O-CB 3.3Å; I174-K178 WeakPolarHBondContact O-CB 2.89Å; I174-K178 PolarHBondContact O-N 3.32Å |
| 175 | Q | 69.1 | Low | 72.8 | Confident | 137 Ų | 137 | 99.3 Ų | 99.3 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.3 | -39.9 | 173.2 | -76.3 | -178.5 | -15.1 | 0 | 0 | 112 | S171 G172 K178 H179 | S171-Q175 PolarHBondContact O-N 3.38Å; G172-Q175 WeakPolarHBondContact O-CB 3.46Å; G172-Q175 PolarHBondContact O-N 2.94Å; Q175-K178 PolarHBondContact O-N 3.39Å; Q175-H179 WeakPolarHBondContact O-CB 3.48Å; Q175-H179 PolarHBondContact O-N 2.84Å |
| 176 | V | 72.5 | Confident | 72.8 | Confident | 84 Ų | 84 | 100 Ų | 100 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 174.1 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | G172 S173 K178 H179 M180 | G172-V176 WeakPolarHBondContact O-CG2 2.99Å; G172-V176 PolarHBondContact O-N 3.38Å; S173-V176 PolarHBondContact O-N 3.22Å; V176-K178 PolarHBondContact O-N 3.48Å; V176-H179 PolarHBondContact O-N 2.83Å; V176-M180 HydrophobicContact CG1-CG 4.47Å; V176-M180 HydrophobicContact CG1-SD 4.16Å; V176-M180 WeakPolarHBondContact O-CG 3.37Å; V176-M180 PolarHBondContact O-N 3.27Å |
| 177 | L | 73.1 | Confident | 72.9 | Confident | 115 Ų | 115 | 100 Ų | 100 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.4 | -41 | 175 | -87.7 | 163.4 | 0 | 0 | 0 | 112.4 | S173 I174 H179 M180 S181 | S173-L177 PolarHBondContact O-N 2.98Å; I174-L177 PolarHBondContact O-N 3.34Å; L177-H179 VanDerWaalsContact C-N 3.34Å; L177-H179 PolarHBondContact O-N 3.39Å; L177-M180 PolarHBondContact O-N 3.49Å; L177-S181 VanDerWaalsContact O-CB 3.3Å; L177-S181 WeakPolarHBondContact O-CB 3.45Å; L177-S181 PolarHBondContact O-N 3.4Å |
| 178 | K | 76.9 | Confident | 72.7 | Confident | 165 Ų | 165 | 99.5 Ų | 99.5 | 72% | 0.717 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.2 | -42 | 174.9 | -176.5 | 178.4 | 179.9 | 179 | 0 | 111.5 | I174 Q175 V176 G182 | I174-K178 VanDerWaalsContact O-CB 3.3Å; I174-K178 WeakPolarHBondContact O-CB 2.89Å; I174-K178 PolarHBondContact O-N 3.32Å; Q175-K178 PolarHBondContact O-N 3.39Å; V176-K178 PolarHBondContact O-N 3.48Å; K178-G182 PolarHBondContact O-N 3.09Å |
| 179 | H | 74.1 | Confident | 72.3 | Confident | 123 Ų | 123 | 98.5 Ų | 98.5 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 175.6 | 176.9 | -92.4 | 0 | 0 | 0 | 111.9 | Q175 V176 L177 G182 R183 | Q175-H179 WeakPolarHBondContact O-CB 3.48Å; Q175-H179 PolarHBondContact O-N 2.84Å; V176-H179 PolarHBondContact O-N 2.83Å; L177-H179 VanDerWaalsContact C-N 3.34Å; L177-H179 PolarHBondContact O-N 3.39Å; H179-G182 PolarHBondContact O-N 3.29Å; H179-R183 PolarHBondContact O-N 3.06Å; H179-R183 VanDerWaalsContact O-N 3.1Å |
| 180 | M | 70.6 | Confident | 71.9 | Confident | 110 Ų | 110 | 99.2 Ų | 99.2 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.1 | -71.3 | -178 | 68.9 | 0 | 0 | 112.1 | V176 L177 G182 R183 V184 | V176-M180 HydrophobicContact CG1-CG 4.47Å; V176-M180 HydrophobicContact CG1-SD 4.16Å; V176-M180 WeakPolarHBondContact O-CG 3.37Å; V176-M180 PolarHBondContact O-N 3.27Å; L177-M180 PolarHBondContact O-N 3.49Å; M180-G182 VanDerWaalsContact C-N 3.27Å; M180-G182 PolarHBondContact O-N 3.28Å; M180-R183 PolarHBondContact O-N 2.93Å; M180-V184 WeakPolarHBondContact O-CG2 3.29Å; M180-V184 PolarHBondContact O-N 3.02Å |
| 181 | S | 73.9 | Confident | 71.2 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 59% | 0.594 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -35.1 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 112 | L177 G185 | L177-S181 VanDerWaalsContact O-CB 3.3Å; L177-S181 WeakPolarHBondContact O-CB 3.45Å; L177-S181 PolarHBondContact O-N 3.4Å; S181-G185 PolarHBondContact O-N 3.43Å |
| 182 | G | 77 | Confident | 70.7 | Confident | 36 Ų | 36 | 100.5 Ų | 100.5 | 37% | 0.371 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -49.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | K178 H179 M180 V184 G185 E186 | K178-G182 PolarHBondContact O-N 3.09Å; H179-G182 PolarHBondContact O-N 3.29Å; M180-G182 VanDerWaalsContact C-N 3.27Å; M180-G182 PolarHBondContact O-N 3.28Å; G182-V184 PolarHBondContact O-N 3.08Å; G182-G185 PolarHBondContact O-N 3.15Å; G182-E186 PolarHBondContact O-N 3.15Å |
| 183 | R | 73.2 | Confident | 70 | Confident | 170 Ų | 170 | 104.3 Ų | 104.3 | 64% | 0.642 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.6 | -38.9 | 176.4 | -84.1 | -176.6 | 83.3 | 135.7 | 1 | 113.4 | H179 M180 G185 E186 E187 | H179-R183 PolarHBondContact O-N 3.06Å; H179-R183 VanDerWaalsContact O-N 3.1Å; M180-R183 PolarHBondContact O-N 2.93Å; R183-G185 VanDerWaalsContact C-N 3.32Å; R183-E186 PolarHBondContact O-N 2.93Å; R183-E187 WeakPolarHBondContact O-CB 3.34Å; R183-E187 PolarHBondContact O-N 3.41Å |
| 184 | V | 71.6 | Confident | 69.4 | Low | 78 Ų | 78 | 111.5 Ų | 111.5 | 47% | 0.473 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.3 | -37.4 | 175.4 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | M180 G182 E187 L188 | M180-V184 WeakPolarHBondContact O-CG2 3.29Å; M180-V184 PolarHBondContact O-N 3.02Å; G182-V184 PolarHBondContact O-N 3.08Å; V184-E187 PolarHBondContact O-N 3.3Å; V184-L188 HydrophobicContact CG1-CD1 3.98Å; V184-L188 HydrophobicContact CG1-CG 4.28Å; V184-L188 WeakPolarHBondContact O-CB 3.43Å; V184-L188 VanDerWaalsContact O-CG 3.24Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.48Å |
| 185 | G | 74.1 | Confident | 68.1 | Low | 32 Ų | 32 | 113.9 Ų | 113.9 | 33% | 0.33 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.6 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S181 G182 R183 L188 D189 | S181-G185 PolarHBondContact O-N 3.43Å; G182-G185 PolarHBondContact O-N 3.15Å; R183-G185 VanDerWaalsContact C-N 3.32Å; G185-L188 PolarHBondContact O-N 3.23Å; G185-D189 PolarHBondContact O-N 2.78Å |
| 186 | E | 75.8 | Confident | 67.3 | Low | 136 Ų | 136 | 113 Ų | 113 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.4 | -41.6 | 174.9 | -72.8 | 176 | 173.9 | 0 | 0 | 111.8 | G182 R183 D189 E190 | G182-E186 PolarHBondContact O-N 3.15Å; R183-E186 PolarHBondContact O-N 2.93Å; E186-D189 PolarHBondContact O-N 2.92Å; E186-E190 WeakPolarHBondContact O-CB 3.21Å; E186-E190 WeakPolarHBondContact O-CG 3.36Å; E186-E190 PolarHBondContact O-N 2.88Å |
| 187 | E | 74.3 | Confident | 66.3 | Low | 108 Ų | 108 | 113.9 Ų | 113.9 | 51% | 0.505 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.4 | -34.9 | 177.5 | -170.5 | 176.4 | 173.4 | 0 | 0 | 112.7 | R183 V184 Q191 | R183-E187 WeakPolarHBondContact O-CB 3.34Å; R183-E187 PolarHBondContact O-N 3.41Å; V184-E187 PolarHBondContact O-N 3.3Å; E187-Q191 WeakPolarHBondContact O-CB 3.26Å; E187-Q191 VanDerWaalsContact O-CG 3.25Å; E187-Q191 WeakPolarHBondContact O-CG 3.28Å; E187-Q191 PolarHBondContact O-N 2.95Å |
| 188 | L | 69.3 | Low | 65.1 | Low | 102 Ų | 102 | 114.6 Ų | 114.6 | 53% | 0.534 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.4 | -39.8 | 173.4 | -75.2 | 174 | 0 | 0 | 0 | 112.1 | V184 G185 Q191 A192 | V184-L188 HydrophobicContact CG1-CD1 3.98Å; V184-L188 HydrophobicContact CG1-CG 4.28Å; V184-L188 WeakPolarHBondContact O-CB 3.43Å; V184-L188 VanDerWaalsContact O-CG 3.24Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.48Å; G185-L188 PolarHBondContact O-N 3.23Å; L188-Q191 PolarHBondContact O-N 3.17Å; L188-A192 WeakPolarHBondContact O-CB 3.48Å; L188-A192 PolarHBondContact O-N 2.98Å |
| 189 | D | 66.4 | Low | 63.5 | Low | 127 Ų | 127 | 115.6 Ų | 115.6 | 68% | 0.679 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67 | -37.7 | 174.8 | -89.3 | -9.3 | 0 | 0 | 0 | 111.5 | G185 E186 A192 C193 | G185-D189 PolarHBondContact O-N 2.78Å; E186-D189 PolarHBondContact O-N 2.92Å; D189-A192 PolarHBondContact O-N 2.88Å; D189-C193 PolarHBondContact O-N 3.29Å |
| 190 | E | 64.4 | Low | 62 | Low | 132 Ų | 132 | 120.2 Ų | 120.2 | 62% | 0.617 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.8 | -47.3 | 170.1 | -76.3 | -175.3 | -177.6 | 0 | 0 | 110.9 | E186 A192 C193 | E186-E190 WeakPolarHBondContact O-CB 3.21Å; E186-E190 WeakPolarHBondContact O-CG 3.36Å; E186-E190 PolarHBondContact O-N 2.88Å; E190-A192 VanDerWaalsContact C-N 3.31Å; E190-A192 PolarHBondContact O-N 2.75Å; E190-C193 VanDerWaalsContact O-CB 3.24Å; E190-C193 WeakPolarHBondContact O-CB 3.46Å; E190-C193 PolarHBondContact O-N 2.96Å; E190-C193 VanDerWaalsContact O-N 3.12Å |
| 191 | Q | 58.8 | Low | 60.4 | Low | 105 Ų | 105 | 126.3 Ų | 126.3 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.8 | -30.9 | 177.3 | -72.6 | 178.6 | 27.5 | 0 | 0 | 113.2 | E187 L188 C193 W194 | E187-Q191 WeakPolarHBondContact O-CB 3.26Å; E187-Q191 VanDerWaalsContact O-CG 3.25Å; E187-Q191 WeakPolarHBondContact O-CG 3.28Å; E187-Q191 PolarHBondContact O-N 2.95Å; L188-Q191 PolarHBondContact O-N 3.17Å; Q191-C193 VanDerWaalsContact C-N 3.26Å; Q191-C193 PolarHBondContact O-N 2.86Å; Q191-W194 PolarHBondContact O-N 2.77Å; Q191-W194 VanDerWaalsContact O-N 3.13Å |
| 192 | A | 56.7 | Low | 59.1 | Low | 63 Ų | 63 | 127.9 Ų | 127.9 | 52% | 0.521 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65.9 | -26.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | L188 D189 E190 W194 | L188-A192 WeakPolarHBondContact O-CB 3.48Å; L188-A192 PolarHBondContact O-N 2.98Å; D189-A192 PolarHBondContact O-N 2.88Å; E190-A192 VanDerWaalsContact C-N 3.31Å; E190-A192 PolarHBondContact O-N 2.75Å; A192-W194 VanDerWaalsContact C-N 3.29Å; A192-W194 PolarHBondContact O-N 3.21Å |
| 193 | C | 56.2 | Low | 57.5 | Low | 109 Ų | 109 | 131.9 Ų | 131.9 | 74% | 0.736 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68 | -26.9 | 172.6 | -172.1 | 0 | 0 | 0 | 0 | 112.8 | D189 E190 Q191 | D189-C193 PolarHBondContact O-N 3.29Å; E190-C193 VanDerWaalsContact O-CB 3.24Å; E190-C193 WeakPolarHBondContact O-CB 3.46Å; E190-C193 PolarHBondContact O-N 2.96Å; E190-C193 VanDerWaalsContact O-N 3.12Å; Q191-C193 VanDerWaalsContact C-N 3.26Å; Q191-C193 PolarHBondContact O-N 2.86Å |
| 194 | W | 55.6 | Low | 56.1 | Low | 220 Ų | 220 | 129.4 Ų | 129.4 | 83% | 0.833 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -93.4 | -5.9 | -176.7 | -62.8 | 94.1 | 0 | 0 | 0 | 114.5 | Q191 A192 P196 | Q191-W194 PolarHBondContact O-N 2.77Å; Q191-W194 VanDerWaalsContact O-N 3.13Å; A192-W194 VanDerWaalsContact C-N 3.29Å; A192-W194 PolarHBondContact O-N 3.21Å; W194-P196 WeakPolarHBondContact O-CD 3.44Å |
| 195 | M | 47.4 | Very low | 55 | Low | 154 Ų | 154 | 131.5 Ų | 131.5 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -77.3 | 119.8 | 173.6 | -88 | -170.5 | 79 | 0 | 0 | 111.4 | S197 | M195-S197 PolarHBondContact O-N 2.86Š|
| 196 | P | 52.4 | Low | 53.6 | Low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 127.8 | 175.4 | -0.7 | 15.6 | 0 | 0 | 0 | 110.1 | W194 | W194-P196 WeakPolarHBondContact O-CD 3.44Š|
| 197 | S | 51.1 | Low | 52.2 | Low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 137.6 | 170.1 | -51.5 | 0 | 0 | 0 | 0 | 110.8 | M195 K199 | M195-S197 PolarHBondContact O-N 2.86Å; S197-K199 PolarHBondContact O-N 2.85Å |
| 198 | P | 47.4 | Very low | 50.5 | Low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | -69.8 | 99.2 | 175 | 27.2 | -29.7 | 0 | 0 | 0 | 108.4 | R200 | P198-R200 PolarHBondContact O-N 3.07Å; P198-R200 VanDerWaalsContact O-N 3.08Å | ||
| 199 | K | 44.1 | Very low | 49.3 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 81% | 0.809 | 75% | 0.752 | S | S | * | * | trans | -59.8 | 115.6 | 166.7 | -74.6 | -170.1 | 175.9 | -177.8 | 0 | 107.8 | S197 W201 | S197-K199 PolarHBondContact O-N 2.85Å; K199-W201 PolarHBondContact O-N 3.23Å; K199-W201 VanDerWaalsContact O-N 3.1Å | ||
| 200 | R | 41.3 | Very low | 48.1 | Very low | 221 Ų | 221 | 138.4 Ų | 138.4 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | trans | -41 | 108.8 | 168.5 | -178.7 | -174.4 | -70.7 | -105 | -0.7 | 110.4 | P198 T202 | P198-R200 PolarHBondContact O-N 3.07Å; P198-R200 VanDerWaalsContact O-N 3.08Å; R200-T202 HydrophobicContact CG-CG2 4.21Å; R200-T202 PolarHBondContact O-N 2.94Å; R200-T202 VanDerWaalsContact O-N 3.12Å | ||
| 201 | W | 38.3 | Very low | 46.7 | Very low | 237 Ų | 237 | 137.9 Ų | 137.9 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -74.4 | 95 | 168.7 | -66.7 | 90.4 | 0 | 0 | 0 | 108.7 | K199 | K199-W201 PolarHBondContact O-N 3.23Å; K199-W201 VanDerWaalsContact O-N 3.1Å | ||
| 202 | T | 45.1 | Very low | 46.1 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | trans | -87.9 | 102.5 | 159 | 45.7 | 0 | 0 | 0 | 0 | 108 | R200 | R200-T202 HydrophobicContact CG-CG2 4.21Å; R200-T202 PolarHBondContact O-N 2.94Å; R200-T202 VanDerWaalsContact O-N 3.12Å | ||
| 203 | T | 44.7 | Very low | 45.3 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 127.3 | 166.9 | 37.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 204 | P | 44.2 | Very low | 44.5 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 133.4 | 166.3 | 8.5 | 8.2 | 0 | 0 | 0 | 110.3 | ||
| 205 | S | 47 | Very low | 44.1 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 136.5 | 170.1 | -71.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 206 | P | 46.1 | Very low | 44.1 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -93.8 | 114 | 160.6 | 6.7 | 12.9 | 0 | 0 | 0 | 109.8 | ||||
| 207 | A | 45.5 | Very low | 44 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -72.5 | 120.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 208 | W | 39.5 | Very low | 43.4 | Very low | 234 Ų | 234 | 144.8 Ų | 144.8 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -137.2 | 121.8 | 162.2 | -83.4 | 85.1 | 0 | 0 | 0 | 110.6 | ||||
| 209 | T | 43.5 | Very low | 43.9 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -66.3 | 137 | 173.7 | 42.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 210 | G | 40.2 | Very low | 44.1 | Very low | 80 Ų | 80 | 145.2 Ų | 145.2 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 39.4 | 118 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 211 | S | 36.3 | Very low | 44.2 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | -170 | 145.8 | 118.6 | -155.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 212 | S | 46.7 | Very low | 44.5 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -55.1 | 146.5 | 176.7 | 50.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 213 | G | 38.7 | Very low | 44.5 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | 159.8 | 103.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 214 | S | 40.1 | Very low | 44.5 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 53 | 114.6 | 142.4 | -154.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 215 | W | 46.1 | Very low | 44.5 | Very low | 240 Ų | 240 | 139.6 Ų | 139.6 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -77.4 | 134.8 | 162 | -69.5 | 69.1 | 0 | 0 | 0 | 110.6 | ||||
| 216 | P | 48.8 | Very low | 44.3 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | trans | -88.5 | 140.9 | 162.1 | 13 | 4 | 0 | 0 | 0 | 111 | ||||
| 217 | K | 49.8 | Very low | 44.2 | Very low | 157 Ų | 157 | 143 Ų | 143 | 68% | 0.683 | 84% | 0.837 | S | S | * | * | trans | -113.1 | 134.2 | -175.6 | -105.5 | 178 | 166.6 | -153.2 | 0 | 109.2 | ||||
| 218 | Y | 37.5 | Very low | 44.1 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 73% | 0.729 | 84% | 0.84 | S | S | * | * | trans | 71.9 | 167.2 | 150.6 | -51.4 | -49.7 | 0 | 0 | 0 | 117.7 | ||||
| 219 | P | 58.4 | Low | 44.5 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 71% | 0.708 | 84% | 0.836 | S | S | * | * | cis | -145.6 | 168.9 | 23 | 40 | -17.6 | 0 | 0 | 0 | 120.5 | ||||
| 220 | T | 48.1 | Very low | 44.6 | Very low | 214 Ų | 214 | 140.2 Ų | 140.2 | 100% | 1.313 | 84% | 0.84 | S | S | * | * | trans | 48.5 | 0 | 157.6 | 51.7 | 0 | 0 | 0 | 0 | 120.2 |
Retrieved 220 of 220 residues in 208.7 ms
(Link to these results)