| 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 | 47.2 | Very low | 67.3 | Low | 242 Ų | 242 | 98.4 Ų | 98.4 | 100% | 1.192 | 55% | 0.547 | S | S | * | . | 0 | 10.9 | 0 | -98.1 | 177.5 | 163.1 | 0 | 0 | 113.8 | |||||
| 2 | L | 53.9 | Low | 68.7 | Low | 136 Ų | 136 | 100.4 Ų | 100.4 | 71% | 0.712 | 55% | 0.546 | S | S | * | . | trans | -82.6 | 118 | 166.8 | -72.9 | 132.3 | 0 | 0 | 0 | 108 | F4 E5 | L2-F4 PolarHBondContact O-N 3.13Å; L2-E5 PolarHBondContact O-N 2.94Å | ||
| 3 | L | 58.2 | Low | 69.8 | Low | 113 Ų | 113 | 99.4 Ų | 99.4 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -15.6 | 173 | -81.8 | 161.1 | 0 | 0 | 0 | 112.9 | Y61 | L3-Y61 HydrophobicContact CD2-CE2 4.19Å; L3-Y61 WeakPolarHBondContact CD2-OH 3.44Å |
| 4 | F | 60.9 | Low | 70.9 | Confident | 36 Ų | 36 | 98.4 Ų | 98.4 | 16% | 0.158 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 18.6 | -166.9 | -55.1 | -73 | 0 | 0 | 0 | 115 | L2 G6 E7 L10 F11 F14 F57 | L2-F4 PolarHBondContact O-N 3.13Å; F4-G6 PolarHBondContact O-N 3.4Å; F4-E7 PolarHBondContact O-N 3.02Å; F4-L10 HydrophobicContact CD1-CB 3.64Å; F4-L10 VanDerWaalsContact CE1-C 3.4Å; F4-L10 HydrophobicContact CE1-CB 3.88Å; F4-L10 WeakPolarHBondContact CE1-O 3.31Å; F4-F11 HydrophobicContact CB-CB 4.23Å; F4-F11 HydrophobicContact CD1-CB 3.8Å; F4-F11 VanDerWaalsContact CD1-N 3.31Å; F4-F11 HydrophobicContact CD2-CB 3.98Å; F4-F11 AromaticContact CD2-CD2 3.59Å; F4-F11 HydrophobicContact CD2-CD2 3.59Å; F4-F11 HydrophobicContact CD2-CG 4.22Å; F4-F11 VanDerWaalsContact CE1-CA 3.5Å; F4-F11 HydrophobicContact CE1-CB 4.11Å; F4-F11 HydrophobicContact CE2-CB 4.3Å; F4-F11 AromaticContact CE2-CD2 3.54Å; F4-F11 HydrophobicContact CE2-CD2 3.54Å; F4-F11 HydrophobicContact CE2-CE2 4.4Å; F4-F11 HydrophobicContact CE2-CG 4.41Å; F4-F11 HydrophobicContact CG-CB 3.72Å; F4-F11 HydrophobicContact CG-CD2 4.23Å; F4-F11 HydrophobicContact CG-CG 4.43Å; F4-F11 HydrophobicContact CZ-CB 4.34Å; F4-F11 HydrophobicContact CZ-CD2 4.12Å; F4-F14 HydrophobicContact CE1-CB 4.41Å; F4-F14 HydrophobicContact CZ-CB 4.06Å; F4-F14 HydrophobicContact CZ-CD1 4.35Å; F4-F14 HydrophobicContact CZ-CG 4.22Å; F4-F57 AromaticContact CE1-CE2 3.77Å; F4-F57 HydrophobicContact CE1-CE2 3.77Å; F4-F57 AromaticContact CE1-CZ 3.71Å; F4-F57 HydrophobicContact CE1-CZ 3.71Å; F4-F57 HydrophobicContact CZ-CE2 4.48Å; F4-F57 HydrophobicContact CZ-CZ 4.1Å |
| 5 | E | 66.1 | Low | 72 | Confident | 155 Ų | 155 | 95.8 Ų | 95.8 | 72% | 0.724 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 100.3 | 179.8 | -162.7 | 170.8 | -167.9 | 0 | 0 | 111.3 | L2 | L2-E5 PolarHBondContact O-N 2.94Š|
| 6 | G | 66.5 | Low | 73 | Confident | 72 Ų | 72 | 96.2 Ų | 96.2 | 74% | 0.742 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.7 | -4.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | F4 | F4-G6 PolarHBondContact O-N 3.4Š|
| 7 | E | 70.4 | Confident | 73.9 | Confident | 71 Ų | 71 | 90.5 Ų | 90.5 | 33% | 0.332 | 48% | 0.483 | S | S | . | . | trans | -140.3 | 91.2 | 178.2 | -87.8 | 177.9 | -174.9 | 0 | 0 | 112.6 | F4 A9 L10 K64 | F4-E7 PolarHBondContact O-N 3.02Å; E7-A9 PolarHBondContact O-N 3.46Å; E7-L10 HydrophobicContact CB-CB 4.46Å; E7-L10 HydrophobicContact CB-CD1 4.11Å; E7-L10 HydrophobicContact CB-CG 4.36Å; E7-L10 PolarHBondContact O-N 2.98Å; E7-L10 WeakPolarHBondContact OE2-CD1 3.44Å; E7-K64 IonicContact OE1-NZ 2.58Å; E7-K64 PolarHBondContact OE1-NZ 2.94Å; E7-K64 IonicContact OE2-NZ 2.65Å; E7-K64 PolarHBondContact OE2-NZ 3.29Å | ||
| 8 | P | 78.3 | Confident | 74.6 | Confident | 88 Ų | 88 | 89.1 Ų | 89.1 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.8 | -25.6 | 176.6 | 27.1 | -34.7 | 0 | 0 | 0 | 112.3 | L10 F11 F12 | P8-L10 VanDerWaalsContact C-N 3.31Å; P8-L10 PolarHBondContact O-N 3.36Å; P8-F11 WeakPolarHBondContact O-CB 3.43Å; P8-F11 PolarHBondContact O-N 3.38Å; P8-F11 VanDerWaalsContact O-N 3.08Å; P8-F12 HydrophobicContact CB-CD2 4.37Å; P8-F12 HydrophobicContact CB-CE2 4.05Å; P8-F12 WeakPolarHBondContact O-CD2 3.29Å; P8-F12 PolarHBondContact O-N 3.14Å |
| 9 | A | 79 | Confident | 75.5 | Confident | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E7 F11 F12 L13 | E7-A9 PolarHBondContact O-N 3.46Å; A9-F11 VanDerWaalsContact C-N 3.29Å; A9-F11 PolarHBondContact O-N 3.25Å; A9-F12 PolarHBondContact O-N 2.86Å; A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.4Å; A9-L13 PolarHBondContact O-N 2.99Å |
| 10 | L | 78.6 | Confident | 76.3 | Confident | 18 Ų | 18 | 85.4 Ų | 85.4 | 9% | 0.094 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 176.1 | -82.3 | 175.7 | 0 | 0 | 0 | 111.4 | F4 E7 P8 F14 F57 | F4-L10 HydrophobicContact CD1-CB 3.64Å; F4-L10 VanDerWaalsContact CE1-C 3.4Å; F4-L10 HydrophobicContact CE1-CB 3.88Å; F4-L10 WeakPolarHBondContact CE1-O 3.31Å; E7-L10 HydrophobicContact CB-CB 4.46Å; E7-L10 HydrophobicContact CB-CD1 4.11Å; E7-L10 HydrophobicContact CB-CG 4.36Å; E7-L10 PolarHBondContact O-N 2.98Å; E7-L10 WeakPolarHBondContact OE2-CD1 3.44Å; P8-L10 VanDerWaalsContact C-N 3.31Å; P8-L10 PolarHBondContact O-N 3.36Å; L10-F14 WeakPolarHBondContact O-CB 3.47Å; L10-F14 PolarHBondContact O-N 3.41Å; L10-F57 HydrophobicContact CB-CE2 3.87Å; L10-F57 HydrophobicContact CD2-CD2 3.6Å; L10-F57 HydrophobicContact CD2-CE2 3.59Å; L10-F57 HydrophobicContact CG-CE2 4.26Å; L10-F57 VanDerWaalsContact O-CE2 3.31Å; L10-F57 WeakPolarHBondContact O-CE2 3.37Å |
| 11 | F | 81.3 | Confident | 77 | Confident | 90 Ų | 90 | 83.5 Ų | 83.5 | 40% | 0.395 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67 | -46 | 175.9 | 178.6 | -110.3 | 0 | 0 | 0 | 111.6 | F4 P8 A9 F14 I15 | F4-F11 HydrophobicContact CB-CB 4.23Å; F4-F11 HydrophobicContact CD1-CB 3.8Å; F4-F11 VanDerWaalsContact CD1-N 3.31Å; F4-F11 HydrophobicContact CD2-CB 3.98Å; F4-F11 AromaticContact CD2-CD2 3.59Å; F4-F11 HydrophobicContact CD2-CD2 3.59Å; F4-F11 HydrophobicContact CD2-CG 4.22Å; F4-F11 VanDerWaalsContact CE1-CA 3.5Å; F4-F11 HydrophobicContact CE1-CB 4.11Å; F4-F11 HydrophobicContact CE2-CB 4.3Å; F4-F11 AromaticContact CE2-CD2 3.54Å; F4-F11 HydrophobicContact CE2-CD2 3.54Å; F4-F11 HydrophobicContact CE2-CE2 4.4Å; F4-F11 HydrophobicContact CE2-CG 4.41Å; F4-F11 HydrophobicContact CG-CB 3.72Å; F4-F11 HydrophobicContact CG-CD2 4.23Å; F4-F11 HydrophobicContact CG-CG 4.43Å; F4-F11 HydrophobicContact CZ-CB 4.34Å; F4-F11 HydrophobicContact CZ-CD2 4.12Å; P8-F11 WeakPolarHBondContact O-CB 3.43Å; P8-F11 PolarHBondContact O-N 3.38Å; P8-F11 VanDerWaalsContact O-N 3.08Å; A9-F11 VanDerWaalsContact C-N 3.29Å; A9-F11 PolarHBondContact O-N 3.25Å; F11-F14 PolarHBondContact O-N 3.46Å; F11-I15 HydrophobicContact CD1-CD1 3.74Å; F11-I15 HydrophobicContact CD2-CD1 4.29Å; F11-I15 HydrophobicContact CE1-CD1 3.29Å; F11-I15 HydrophobicContact CE1-CG1 4.5Å; F11-I15 HydrophobicContact CE2-CD1 3.91Å; F11-I15 HydrophobicContact CE2-CG1 4.44Å; F11-I15 HydrophobicContact CG-CD1 4.25Å; F11-I15 HydrophobicContact CZ-CD1 3.41Å; F11-I15 VanDerWaalsContact CZ-CD1 3.41Å; F11-I15 HydrophobicContact CZ-CG1 4.38Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 2.94Å |
| 12 | F | 83.8 | Confident | 79.2 | Confident | 123 Ų | 123 | 77 Ų | 77 | 54% | 0.539 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 176.1 | -70.7 | -64.4 | 0 | 0 | 0 | 112.4 | P8 A9 F14 I15 I16 | P8-F12 HydrophobicContact CB-CD2 4.37Å; P8-F12 HydrophobicContact CB-CE2 4.05Å; P8-F12 WeakPolarHBondContact O-CD2 3.29Å; P8-F12 PolarHBondContact O-N 3.14Å; A9-F12 PolarHBondContact O-N 2.86Å; F12-F14 VanDerWaalsContact C-N 3.31Å; F12-F14 PolarHBondContact O-N 2.82Å; F12-I15 PolarHBondContact O-N 2.8Å; F12-I16 WeakPolarHBondContact O-CB 3.4Å; F12-I16 VanDerWaalsContact O-CG1 3.25Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 2.87Å |
| 13 | L | 83.2 | Confident | 81.1 | Confident | 87 Ų | 87 | 75 Ų | 75 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 175 | -76.6 | 173.2 | 0 | 0 | 0 | 111.5 | A9 I16 S17 | A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.4Å; A9-L13 PolarHBondContact O-N 2.99Å; L13-I16 PolarHBondContact O-N 3.18Å; L13-S17 WeakPolarHBondContact O-CB 3.18Å; L13-S17 PolarHBondContact O-N 3.48Å |
| 14 | F | 84.7 | Confident | 82.6 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 37% | 0.373 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.6 | 177.8 | -101.4 | 0 | 0 | 0 | 112.2 | F4 L10 F11 F12 S17 T18 F57 | F4-F14 HydrophobicContact CE1-CB 4.41Å; F4-F14 HydrophobicContact CZ-CB 4.06Å; F4-F14 HydrophobicContact CZ-CD1 4.35Å; F4-F14 HydrophobicContact CZ-CG 4.22Å; L10-F14 WeakPolarHBondContact O-CB 3.47Å; L10-F14 PolarHBondContact O-N 3.41Å; F11-F14 PolarHBondContact O-N 3.46Å; F12-F14 VanDerWaalsContact C-N 3.31Å; F12-F14 PolarHBondContact O-N 2.82Å; F14-S17 PolarHBondContact O-N 3.1Å; F14-T18 WeakPolarHBondContact O-CB 2.8Å; F14-T18 PolarHBondContact O-N 3.35Å; F14-T18 PolarHBondContact O-OG1 3.4Å; F14-F57 HydrophobicContact CB-CE2 4.2Å; F14-F57 HydrophobicContact CB-CZ 4.34Å; F14-F57 HydrophobicContact CD2-CD1 4.49Å; F14-F57 HydrophobicContact CD2-CE1 4.17Å; F14-F57 HydrophobicContact CD2-CZ 4.42Å |
| 15 | I | 87.4 | Confident | 84.1 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.1 | -51.4 | 177 | -69.5 | 170.7 | 0 | 0 | 0 | 110.9 | F11 F12 S17 T18 L19 | F11-I15 HydrophobicContact CD1-CD1 3.74Å; F11-I15 HydrophobicContact CD2-CD1 4.29Å; F11-I15 HydrophobicContact CE1-CD1 3.29Å; F11-I15 HydrophobicContact CE1-CG1 4.5Å; F11-I15 HydrophobicContact CE2-CD1 3.91Å; F11-I15 HydrophobicContact CE2-CG1 4.44Å; F11-I15 HydrophobicContact CG-CD1 4.25Å; F11-I15 HydrophobicContact CZ-CD1 3.41Å; F11-I15 VanDerWaalsContact CZ-CD1 3.41Å; F11-I15 HydrophobicContact CZ-CG1 4.38Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 2.94Å; F12-I15 PolarHBondContact O-N 2.8Å; I15-S17 PolarHBondContact O-N 3.32Å; I15-T18 PolarHBondContact O-N 3.49Å; I15-T18 VanDerWaalsContact O-N 3.16Å; I15-L19 HydrophobicContact CG2-CD1 3.74Å; I15-L19 HydrophobicContact CG2-CG 4.15Å; I15-L19 WeakPolarHBondContact O-CB 3.19Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 2.88Å |
| 16 | I | 87.8 | Confident | 85.3 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 52% | 0.523 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 179.9 | -67.9 | 165.7 | 0 | 0 | 0 | 110.3 | F12 L13 L19 S20 | F12-I16 WeakPolarHBondContact O-CB 3.4Å; F12-I16 VanDerWaalsContact O-CG1 3.25Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 2.87Å; L13-I16 PolarHBondContact O-N 3.18Å; I16-L19 PolarHBondContact O-N 3.46Å; I16-S20 WeakPolarHBondContact O-CB 3.27Å; I16-S20 PolarHBondContact O-N 2.8Å; I16-S20 PolarHBondContact O-OG 3.28Å |
| 17 | S | 88.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.1 | -43 | 178 | -163.3 | 0 | 0 | 0 | 0 | 112 | L13 F14 I15 S20 L21 G50 T53 T54 | L13-S17 WeakPolarHBondContact O-CB 3.18Å; L13-S17 PolarHBondContact O-N 3.48Å; F14-S17 PolarHBondContact O-N 3.1Å; I15-S17 PolarHBondContact O-N 3.32Å; S17-S20 WeakPolarHBondContact CA-OG 3.45Å; S17-S20 PolarHBondContact O-N 2.98Å; S17-S20 PolarHBondContact O-OG 3.46Å; S17-L21 WeakPolarHBondContact O-CB 3.3Å; S17-L21 VanDerWaalsContact O-CG 3.3Å; S17-L21 WeakPolarHBondContact O-CG 3.25Å; S17-L21 PolarHBondContact O-N 2.86Å; S17-G50 PolarHBondContact OG-O 2.89Å; S17-T53 PolarHBondContact OG-OG1 3.05Å; S17-T54 WeakPolarHBondContact OG-CG2 3.17Å; S17-T54 PolarHBondContact OG-N 3.49Å; S17-T54 VanDerWaalsContact OG-N 3.16Å |
| 18 | T | 87.9 | Confident | 87.6 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 175 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | F14 I15 L21 L22 | F14-T18 WeakPolarHBondContact O-CB 2.8Å; F14-T18 PolarHBondContact O-N 3.35Å; F14-T18 PolarHBondContact O-OG1 3.4Å; I15-T18 PolarHBondContact O-N 3.49Å; I15-T18 VanDerWaalsContact O-N 3.16Å; T18-L21 PolarHBondContact O-N 2.87Å; T18-L22 VanDerWaalsContact O-CB 3.32Å; T18-L22 WeakPolarHBondContact O-CB 3.35Å; T18-L22 PolarHBondContact O-N 3.33Å |
| 19 | L | 91.2 | Very high | 88.1 | Confident | 87 Ų | 87 | 62.8 Ų | 62.8 | 46% | 0.455 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 177.5 | -70.5 | 176.8 | 0 | 0 | 0 | 111.9 | I15 I16 L22 I23 | I15-L19 HydrophobicContact CG2-CD1 3.74Å; I15-L19 HydrophobicContact CG2-CG 4.15Å; I15-L19 WeakPolarHBondContact O-CB 3.19Å; I15-L19 VanDerWaalsContact O-CG 3.3Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 2.88Å; I16-L19 PolarHBondContact O-N 3.46Å; L19-L22 PolarHBondContact O-N 2.78Å; L19-I23 HydrophobicContact CB-CD1 4.4Å; L19-I23 VanDerWaalsContact O-CB 3.28Å; L19-I23 WeakPolarHBondContact O-CB 3.13Å; L19-I23 WeakPolarHBondContact O-CD1 3.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.45Å; L19-I23 PolarHBondContact O-N 3.39Å |
| 20 | S | 91.1 | Very high | 88.8 | Confident | 17 Ų | 17 | 62 Ų | 62 | 12% | 0.119 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.2 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | I16 S17 G24 I46 G50 | I16-S20 WeakPolarHBondContact O-CB 3.27Å; I16-S20 PolarHBondContact O-N 2.8Å; I16-S20 PolarHBondContact O-OG 3.28Å; S17-S20 WeakPolarHBondContact CA-OG 3.45Å; S17-S20 PolarHBondContact O-N 2.98Å; S17-S20 PolarHBondContact O-OG 3.46Å; S20-G24 VanDerWaalsContact O-CA 3.32Å; S20-G24 WeakPolarHBondContact O-CA 3.46Å; S20-G24 PolarHBondContact O-N 2.86Å; S20-I46 WeakPolarHBondContact O-CG2 3.39Å; S20-G50 VanDerWaalsContact OG-CA 3.23Å; S20-G50 WeakPolarHBondContact OG-CA 3.3Å |
| 21 | L | 91.6 | Very high | 89.2 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 24% | 0.236 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 172.3 | -76 | 166.1 | 0 | 0 | 0 | 111.9 | S17 T18 G25 F47 T54 | S17-L21 WeakPolarHBondContact O-CB 3.3Å; S17-L21 VanDerWaalsContact O-CG 3.3Å; S17-L21 WeakPolarHBondContact O-CG 3.25Å; S17-L21 PolarHBondContact O-N 2.86Å; T18-L21 PolarHBondContact O-N 2.87Å; L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 2.9Å; L21-F47 HydrophobicContact CD2-CD2 3.73Å; L21-F47 HydrophobicContact CD2-CE2 3.5Å; L21-F47 HydrophobicContact CD2-CZ 4.15Å; L21-T54 HydrophobicContact CD1-CG2 3.61Å |
| 22 | L | 92.8 | Very high | 89.7 | Confident | 106 Ų | 106 | 63.1 Ų | 63.1 | 56% | 0.555 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.6 | -52.9 | -179.6 | -173.1 | 67.1 | 0 | 0 | 0 | 111.4 | T18 L19 G25 C26 | T18-L22 VanDerWaalsContact O-CB 3.32Å; T18-L22 WeakPolarHBondContact O-CB 3.35Å; T18-L22 PolarHBondContact O-N 3.33Å; L19-L22 PolarHBondContact O-N 2.78Å; L22-G25 PolarHBondContact O-N 3.41Å; L22-C26 VanDerWaalsContact O-CB 3.29Å; L22-C26 WeakPolarHBondContact O-CB 3.41Å; L22-C26 PolarHBondContact O-N 3.16Å; L22-C26 PolarHBondContact O-SG 2.84Å |
| 23 | I | 93.1 | Very high | 89.9 | Confident | 95 Ų | 95 | 64.2 Ų | 64.2 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | -179.7 | -63.8 | 163.4 | 0 | 0 | 0 | 110.3 | L19 L27 | L19-I23 HydrophobicContact CB-CD1 4.4Å; L19-I23 VanDerWaalsContact O-CB 3.28Å; L19-I23 WeakPolarHBondContact O-CB 3.13Å; L19-I23 WeakPolarHBondContact O-CD1 3.26Å; L19-I23 WeakPolarHBondContact O-CG1 3.45Å; L19-I23 PolarHBondContact O-N 3.39Å; I23-L27 WeakPolarHBondContact O-CB 3.18Å; I23-L27 PolarHBondContact O-N 2.82Å |
| 24 | G | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S20 W28 G43 | S20-G24 VanDerWaalsContact O-CA 3.32Å; S20-G24 WeakPolarHBondContact O-CA 3.46Å; S20-G24 PolarHBondContact O-N 2.86Å; G24-W28 WeakPolarHBondContact O-CB 3.4Å; G24-W28 PolarHBondContact O-N 2.86Å; G24-G43 WeakPolarHBondContact CA-O 3.14Å; G24-G43 CarbonylContact O-C 3.59Å; G24-G43 VanDerWaalsContact O-CA 3.26Å; G24-G43 WeakPolarHBondContact O-CA 3.29Å |
| 25 | G | 91.4 | Very high | 90.4 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L21 L22 W28 G29 | L21-G25 WeakPolarHBondContact O-CA 3.46Å; L21-G25 PolarHBondContact O-N 2.9Å; L22-G25 PolarHBondContact O-N 3.41Å; G25-W28 PolarHBondContact O-N 3.43Å; G25-G29 PolarHBondContact O-N 3.48Å |
| 26 | C | 92.2 | Very high | 90.5 | Very high | 83 Ų | 83 | 62.8 Ų | 62.8 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 176.4 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | L22 S30 | L22-C26 VanDerWaalsContact O-CB 3.29Å; L22-C26 WeakPolarHBondContact O-CB 3.41Å; L22-C26 PolarHBondContact O-N 3.16Å; L22-C26 PolarHBondContact O-SG 2.84Å; C26-S30 VanDerWaalsContact O-CB 3.3Å; C26-S30 WeakPolarHBondContact O-CB 3.46Å; C26-S30 PolarHBondContact O-N 2.96Å |
| 27 | L | 92.2 | Very high | 90.7 | Very high | 48 Ų | 48 | 62.5 Ų | 62.5 | 25% | 0.251 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.6 | -36 | 179 | -175.3 | 63.6 | 0 | 0 | 0 | 111.8 | I23 G31 K39 I42 I46 | I23-L27 WeakPolarHBondContact O-CB 3.18Å; I23-L27 PolarHBondContact O-N 2.82Å; L27-G31 PolarHBondContact O-N 3.16Å; L27-K39 HydrophobicContact CD1-CB 4.08Å; L27-K39 HydrophobicContact CD1-CG 4.24Å; L27-I42 HydrophobicContact CD2-CB 3.99Å; L27-I42 HydrophobicContact CD2-CG2 3.58Å; L27-I46 HydrophobicContact CD2-CD1 4.39Å |
| 28 | W | 91.6 | Very high | 90.9 | Very high | 92 Ų | 92 | 67.4 Ų | 67.4 | 35% | 0.348 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -54.7 | 172.6 | -178.8 | 7 | 0 | 0 | 0 | 110.3 | G24 G25 S30 G31 E32 I44 F47 | G24-W28 WeakPolarHBondContact O-CB 3.4Å; G24-W28 PolarHBondContact O-N 2.86Å; G25-W28 PolarHBondContact O-N 3.43Å; W28-S30 PolarHBondContact O-N 3.28Å; W28-G31 WeakPolarHBondContact O-CA 3.46Å; W28-G31 PolarHBondContact O-N 2.89Å; W28-E32 PolarHBondContact O-N 2.98Å; W28-I44 HydrophobicContact CD2-CG1 3.68Å; W28-I44 HydrophobicContact CE3-CG1 4.24Å; W28-I44 HydrophobicContact CG-CG1 3.84Å; W28-I44 HydrophobicContact CZ2-CG1 4.28Å; W28-F47 HydrophobicContact CE3-CD1 4.44Å; W28-F47 HydrophobicContact CZ3-CD1 4.22Å; W28-F47 HydrophobicContact CZ3-CE1 4.33Å |
| 29 | G | 90.9 | Very high | 90.9 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.1 | -45.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G25 G31 E32 D33 | G25-G29 PolarHBondContact O-N 3.48Å; G29-G31 VanDerWaalsContact C-N 3.27Å; G29-G31 PolarHBondContact O-N 3.25Å; G29-E32 WeakPolarHBondContact O-CB 3.28Å; G29-E32 PolarHBondContact O-N 3.13Å; G29-E32 VanDerWaalsContact O-N 3.09Å; G29-D33 PolarHBondContact O-N 3.41Å |
| 30 | S | 91.6 | Very high | 90.9 | Very high | 43 Ų | 43 | 66.5 Ų | 66.5 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.2 | -34.1 | 175.2 | 171 | 0 | 0 | 0 | 0 | 112.8 | C26 W28 E34 | C26-S30 VanDerWaalsContact O-CB 3.3Å; C26-S30 WeakPolarHBondContact O-CB 3.46Å; C26-S30 PolarHBondContact O-N 2.96Å; W28-S30 PolarHBondContact O-N 3.28Å; S30-E34 WeakPolarHBondContact O-CB 3.34Å; S30-E34 WeakPolarHBondContact O-CG 3.41Å; S30-E34 PolarHBondContact O-N 3.38Å; S30-E34 VanDerWaalsContact O-N 3.15Å |
| 31 | G | 88.9 | Confident | 91 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.01 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.4 | -32 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L27 W28 G29 G35 A36 | L27-G31 PolarHBondContact O-N 3.16Å; W28-G31 WeakPolarHBondContact O-CA 3.46Å; W28-G31 PolarHBondContact O-N 2.89Å; G29-G31 VanDerWaalsContact C-N 3.27Å; G29-G31 PolarHBondContact O-N 3.25Å; G31-G35 CarbonylContact O-C 3.59Å; G31-G35 PolarHBondContact O-N 2.93Å; G31-A36 PolarHBondContact O-N 3.48Å |
| 32 | E | 90.3 | Very high | 91.1 | Very high | 131 Ų | 131 | 71.2 Ų | 71.2 | 61% | 0.612 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -71 | -46.5 | 174.6 | -172.2 | 172.5 | 173.9 | 0 | 0 | 111.2 | W28 G29 E34 G35 | W28-E32 PolarHBondContact O-N 2.98Å; G29-E32 WeakPolarHBondContact O-CB 3.28Å; G29-E32 PolarHBondContact O-N 3.13Å; G29-E32 VanDerWaalsContact O-N 3.09Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 3.03Å; E32-G35 PolarHBondContact O-N 2.91Å |
| 33 | D | 89.4 | Confident | 91.1 | Very high | 146 Ų | 146 | 66.1 Ų | 66.1 | 78% | 0.781 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.9 | -38.6 | 179.5 | -68.4 | -30.5 | 0 | 0 | 0 | 112.7 | G29 | G29-D33 PolarHBondContact O-N 3.41Å |
| 34 | E | 89.9 | Confident | 91 | Very high | 120 Ų | 120 | 64.5 Ų | 64.5 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -7 | 178.6 | -67.2 | -180 | -159.8 | 0 | 0 | 113.6 | S30 E32 A36 K39 | S30-E34 WeakPolarHBondContact O-CB 3.34Å; S30-E34 WeakPolarHBondContact O-CG 3.41Å; S30-E34 PolarHBondContact O-N 3.38Å; S30-E34 VanDerWaalsContact O-N 3.15Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 3.03Å; E34-A36 HydrophobicContact CB-CB 4.19Å; E34-A36 PolarHBondContact O-N 3.03Å; E34-K39 IonicContact OE1-NZ 2.64Å; E34-K39 PolarHBondContact OE1-NZ 2.91Å; E34-K39 IonicContact OE2-NZ 3.03Å; E34-K39 PolarHBondContact OE2-NZ 3.34Å |
| 35 | G | 87.4 | Confident | 91.2 | Very high | 58 Ų | 58 | 68.4 Ų | 68.4 | 60% | 0.598 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 16.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G31 E32 V37 | G31-G35 CarbonylContact O-C 3.59Å; G31-G35 PolarHBondContact O-N 2.93Å; E32-G35 PolarHBondContact O-N 2.91Å; G35-V37 PolarHBondContact O-N 3.07Å; G35-V37 VanDerWaalsContact O-N 3.17Å |
| 36 | A | 90.8 | Very high | 91.3 | Very high | 24 Ų | 24 | 69.6 Ų | 69.6 | 20% | 0.198 | 40% | 0.396 | C | S | . | . | trans | -83.1 | 90.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G31 E34 T38 K39 M40 | G31-A36 PolarHBondContact O-N 3.48Å; E34-A36 HydrophobicContact CB-CB 4.19Å; E34-A36 PolarHBondContact O-N 3.03Å; A36-T38 PolarHBondContact O-N 3.35Å; A36-K39 HydrophobicContact CB-CB 4.11Å; A36-K39 HydrophobicContact CB-CD 3.97Å; A36-K39 HydrophobicContact CB-CG 4.06Å; A36-K39 PolarHBondContact O-N 3.08Å; A36-M40 PolarHBondContact O-N 3.43Å | ||
| 37 | V | 91 | Very high | 91.3 | Very high | 96 Ų | 96 | 68.7 Ų | 68.7 | 58% | 0.582 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -52.1 | -34.4 | -178.7 | -172.8 | 0 | 0 | 0 | 0 | 113 | G35 M40 T41 | G35-V37 PolarHBondContact O-N 3.07Å; G35-V37 VanDerWaalsContact O-N 3.17Å; V37-M40 HydrophobicContact CG1-CE 4.31Å; V37-T41 WeakPolarHBondContact O-CB 3.42Å; V37-T41 PolarHBondContact O-N 3.48Å; V37-T41 PolarHBondContact O-OG1 3.49Å |
| 38 | T | 91.7 | Very high | 91.3 | Very high | 104 Ų | 104 | 70 Ų | 70 | 64% | 0.638 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.7 | -48.5 | 177.9 | 50.4 | 0 | 0 | 0 | 0 | 112 | A36 M40 T41 I42 | A36-T38 PolarHBondContact O-N 3.35Å; T38-M40 VanDerWaalsContact C-N 3.33Å; T38-M40 PolarHBondContact O-N 2.87Å; T38-T41 PolarHBondContact O-N 3.46Å; T38-I42 WeakPolarHBondContact O-CD1 3.5Å; T38-I42 VanDerWaalsContact O-CG1 3.25Å; T38-I42 WeakPolarHBondContact O-CG1 3.48Å; T38-I42 PolarHBondContact O-N 3.01Å |
| 39 | K | 89.7 | Confident | 91.3 | Very high | 72 Ų | 72 | 69.5 Ų | 69.5 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175 | -69.7 | -176.6 | 175.1 | 179.4 | 0 | 110.3 | L27 E34 A36 T41 I42 G43 | L27-K39 HydrophobicContact CD1-CB 4.08Å; L27-K39 HydrophobicContact CD1-CG 4.24Å; E34-K39 IonicContact OE1-NZ 2.64Å; E34-K39 PolarHBondContact OE1-NZ 2.91Å; E34-K39 IonicContact OE2-NZ 3.03Å; E34-K39 PolarHBondContact OE2-NZ 3.34Å; A36-K39 HydrophobicContact CB-CB 4.11Å; A36-K39 HydrophobicContact CB-CD 3.97Å; A36-K39 HydrophobicContact CB-CG 4.06Å; A36-K39 PolarHBondContact O-N 3.08Å; K39-T41 PolarHBondContact O-N 3.48Å; K39-I42 PolarHBondContact O-N 3Å; K39-G43 PolarHBondContact O-N 3.17Å |
| 40 | M | 91 | Very high | 91.3 | Very high | 60 Ų | 60 | 68.2 Ų | 68.2 | 30% | 0.296 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -56.7 | -51 | 177.9 | -172.4 | -177.3 | 73.8 | 0 | 0 | 111.9 | A36 V37 T38 I42 G43 I44 | A36-M40 PolarHBondContact O-N 3.43Å; V37-M40 HydrophobicContact CG1-CE 4.31Å; T38-M40 VanDerWaalsContact C-N 3.33Å; T38-M40 PolarHBondContact O-N 2.87Å; M40-I42 PolarHBondContact O-N 3.27Å; M40-G43 PolarHBondContact O-N 3.43Å; M40-I44 HydrophobicContact CG-CD1 4.08Å; M40-I44 WeakPolarHBondContact O-CG1 3.46Å; M40-I44 PolarHBondContact O-N 3.32Å |
| 41 | T | 92.4 | Very high | 91.2 | Very high | 70 Ų | 70 | 68.4 Ų | 68.4 | 43% | 0.429 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | -178 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | V37 T38 K39 G43 I44 V45 | V37-T41 WeakPolarHBondContact O-CB 3.42Å; V37-T41 PolarHBondContact O-N 3.48Å; V37-T41 PolarHBondContact O-OG1 3.49Å; T38-T41 PolarHBondContact O-N 3.46Å; K39-T41 PolarHBondContact O-N 3.48Å; T41-G43 VanDerWaalsContact C-N 3.3Å; T41-G43 PolarHBondContact O-N 3.29Å; T41-I44 PolarHBondContact O-N 2.85Å; T41-V45 WeakPolarHBondContact O-CG2 3.21Å; T41-V45 PolarHBondContact O-N 3.42Å |
| 42 | I | 93.4 | Very high | 91.3 | Very high | 91 Ų | 91 | 71.3 Ų | 71.3 | 47% | 0.467 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 177.4 | -64.5 | 166.2 | 0 | 0 | 0 | 110.1 | L27 T38 K39 M40 V45 I46 | L27-I42 HydrophobicContact CD2-CB 3.99Å; L27-I42 HydrophobicContact CD2-CG2 3.58Å; T38-I42 WeakPolarHBondContact O-CD1 3.5Å; T38-I42 VanDerWaalsContact O-CG1 3.25Å; T38-I42 WeakPolarHBondContact O-CG1 3.48Å; T38-I42 PolarHBondContact O-N 3.01Å; K39-I42 PolarHBondContact O-N 3Å; M40-I42 PolarHBondContact O-N 3.27Å; I42-V45 PolarHBondContact O-N 3.42Å; I42-I46 HydrophobicContact CG2-CD1 3.73Å; I42-I46 HydrophobicContact CG2-CG1 4.34Å; I42-I46 VanDerWaalsContact O-CG1 3.32Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 2.89Å |
| 43 | G | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.9 | -49.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | G24 K39 M40 T41 V45 I46 F47 | G24-G43 WeakPolarHBondContact CA-O 3.14Å; G24-G43 CarbonylContact O-C 3.59Å; G24-G43 VanDerWaalsContact O-CA 3.26Å; G24-G43 WeakPolarHBondContact O-CA 3.29Å; K39-G43 PolarHBondContact O-N 3.17Å; M40-G43 PolarHBondContact O-N 3.43Å; T41-G43 VanDerWaalsContact C-N 3.3Å; T41-G43 PolarHBondContact O-N 3.29Å; G43-V45 PolarHBondContact O-N 2.83Å; G43-I46 PolarHBondContact O-N 2.88Å; G43-F47 WeakPolarHBondContact O-CB 3.24Å; G43-F47 PolarHBondContact O-N 3.41Å |
| 44 | I | 92.9 | Very high | 91.1 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 177.6 | -66 | 162.4 | 0 | 0 | 0 | 111.5 | W28 M40 T41 F47 T48 | W28-I44 HydrophobicContact CD2-CG1 3.68Å; W28-I44 HydrophobicContact CE3-CG1 4.24Å; W28-I44 HydrophobicContact CG-CG1 3.84Å; W28-I44 HydrophobicContact CZ2-CG1 4.28Å; M40-I44 HydrophobicContact CG-CD1 4.08Å; M40-I44 WeakPolarHBondContact O-CG1 3.46Å; M40-I44 PolarHBondContact O-N 3.32Å; T41-I44 PolarHBondContact O-N 2.85Å; I44-F47 PolarHBondContact O-N 2.94Å; I44-T48 HydrophobicContact CG2-CG2 4.29Å; I44-T48 WeakPolarHBondContact O-CB 3.38Å; I44-T48 VanDerWaalsContact O-CG2 3.29Å; I44-T48 WeakPolarHBondContact O-CG2 3.48Å; I44-T48 PolarHBondContact O-N 3.22Å; I44-T48 PolarHBondContact O-OG1 3.18Å |
| 45 | V | 94 | Very high | 91 | Very high | 82 Ų | 82 | 60.4 Ų | 60.4 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 178.7 | 172.9 | 0 | 0 | 0 | 0 | 111 | T41 I42 G43 F47 T48 V49 | T41-V45 WeakPolarHBondContact O-CG2 3.21Å; T41-V45 PolarHBondContact O-N 3.42Å; I42-V45 PolarHBondContact O-N 3.42Å; G43-V45 PolarHBondContact O-N 2.83Å; V45-F47 VanDerWaalsContact C-N 3.3Å; V45-F47 PolarHBondContact O-N 2.82Å; V45-T48 WeakPolarHBondContact CA-OG1 3.44Å; V45-T48 PolarHBondContact O-N 2.73Å; V45-T48 PolarHBondContact O-OG1 3.49Å; V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.42Å; V45-V49 PolarHBondContact O-N 3.48Å; V45-V49 VanDerWaalsContact O-N 3.08Å |
| 46 | I | 93.2 | Very high | 91 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 28% | 0.277 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 178.3 | -64.6 | 171.9 | 0 | 0 | 0 | 110.4 | S20 L27 I42 G43 V49 G50 | S20-I46 WeakPolarHBondContact O-CG2 3.39Å; L27-I46 HydrophobicContact CD2-CD1 4.39Å; I42-I46 HydrophobicContact CG2-CD1 3.73Å; I42-I46 HydrophobicContact CG2-CG1 4.34Å; I42-I46 VanDerWaalsContact O-CG1 3.32Å; I42-I46 WeakPolarHBondContact O-CG1 3.47Å; I42-I46 PolarHBondContact O-N 2.89Å; G43-I46 PolarHBondContact O-N 2.88Å; I46-V49 PolarHBondContact O-N 2.97Å; I46-G50 PolarHBondContact O-N 2.97Å |
| 47 | F | 92.2 | Very high | 90.7 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 28% | 0.281 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 178.6 | -177.5 | -100.7 | 0 | 0 | 0 | 112.3 | L21 W28 G43 I44 V45 V49 G50 C51 | L21-F47 HydrophobicContact CD2-CD2 3.73Å; L21-F47 HydrophobicContact CD2-CE2 3.5Å; L21-F47 HydrophobicContact CD2-CZ 4.15Å; W28-F47 HydrophobicContact CE3-CD1 4.44Å; W28-F47 HydrophobicContact CZ3-CD1 4.22Å; W28-F47 HydrophobicContact CZ3-CE1 4.33Å; G43-F47 WeakPolarHBondContact O-CB 3.24Å; G43-F47 PolarHBondContact O-N 3.41Å; I44-F47 PolarHBondContact O-N 2.94Å; V45-F47 VanDerWaalsContact C-N 3.3Å; V45-F47 PolarHBondContact O-N 2.82Å; F47-V49 VanDerWaalsContact C-N 3.33Å; F47-V49 PolarHBondContact O-N 3.31Å; F47-G50 CarbonylContact O-C 3.48Å; F47-G50 WeakPolarHBondContact O-CA 3.27Å; F47-G50 PolarHBondContact O-N 3.04Å; F47-G50 VanDerWaalsContact O-N 3.14Å; F47-C51 PolarHBondContact O-N 3.4Å |
| 48 | T | 92.4 | Very high | 90.4 | Very high | 76 Ų | 76 | 61.3 Ų | 61.3 | 47% | 0.466 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 177.7 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | I44 V45 C51 A52 | I44-T48 HydrophobicContact CG2-CG2 4.29Å; I44-T48 WeakPolarHBondContact O-CB 3.38Å; I44-T48 VanDerWaalsContact O-CG2 3.29Å; I44-T48 WeakPolarHBondContact O-CG2 3.48Å; I44-T48 PolarHBondContact O-N 3.22Å; I44-T48 PolarHBondContact O-OG1 3.18Å; V45-T48 WeakPolarHBondContact CA-OG1 3.44Å; V45-T48 PolarHBondContact O-N 2.73Å; V45-T48 PolarHBondContact O-OG1 3.49Å; T48-C51 PolarHBondContact O-N 3.48Å; T48-A52 WeakPolarHBondContact O-CB 3.42Å; T48-A52 PolarHBondContact O-N 2.95Å |
| 49 | V | 91.5 | Very high | 90.2 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 171.6 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | V45 I46 F47 A52 T53 | V45-V49 VanDerWaalsContact O-CG2 3.31Å; V45-V49 WeakPolarHBondContact O-CG2 3.42Å; V45-V49 PolarHBondContact O-N 3.48Å; V45-V49 VanDerWaalsContact O-N 3.08Å; I46-V49 PolarHBondContact O-N 2.97Å; F47-V49 VanDerWaalsContact C-N 3.33Å; F47-V49 PolarHBondContact O-N 3.31Å; V49-A52 PolarHBondContact O-N 2.86Å; V49-T53 HydrophobicContact CG1-CG2 4.47Å; V49-T53 WeakPolarHBondContact O-CB 3.21Å; V49-T53 VanDerWaalsContact O-CG2 3.31Å; V49-T53 WeakPolarHBondContact O-CG2 3.19Å; V49-T53 PolarHBondContact O-N 2.58Å; V49-T53 PolarHBondContact O-OG1 3.38Å |
| 50 | G | 91 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S17 S20 I46 F47 T53 T54 | S17-G50 PolarHBondContact OG-O 2.89Å; S20-G50 VanDerWaalsContact OG-CA 3.23Å; S20-G50 WeakPolarHBondContact OG-CA 3.3Å; I46-G50 PolarHBondContact O-N 2.97Å; F47-G50 CarbonylContact O-C 3.48Å; F47-G50 WeakPolarHBondContact O-CA 3.27Å; F47-G50 PolarHBondContact O-N 3.04Å; F47-G50 VanDerWaalsContact O-N 3.14Å; G50-T53 WeakPolarHBondContact CA-OG1 3.29Å; G50-T53 PolarHBondContact O-N 2.65Å; G50-T53 PolarHBondContact O-OG1 2.94Å; G50-T54 PolarHBondContact O-N 3.04Å; G50-T54 PolarHBondContact O-OG1 3.07Å |
| 51 | C | 90.4 | Very high | 89.5 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 31% | 0.311 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 174.7 | -77 | 0 | 0 | 0 | 0 | 112.5 | F47 T48 T53 T54 V55 | F47-C51 PolarHBondContact O-N 3.4Å; T48-C51 PolarHBondContact O-N 3.48Å; C51-T53 VanDerWaalsContact C-N 3.32Å; C51-T53 PolarHBondContact O-N 2.8Å; C51-T54 WeakPolarHBondContact CA-OG1 3.16Å; C51-T54 PolarHBondContact O-N 3.46Å; C51-T54 PolarHBondContact O-OG1 2.81Å; C51-V55 WeakPolarHBondContact O-CG2 3.34Å; C51-V55 PolarHBondContact O-N 3Å; C51-V55 VanDerWaalsContact O-N 3.07Å |
| 52 | A | 90.8 | Very high | 89.1 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T48 V49 A56 | T48-A52 WeakPolarHBondContact O-CB 3.42Å; T48-A52 PolarHBondContact O-N 2.95Å; V49-A52 PolarHBondContact O-N 2.86Å; A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 2.99Å |
| 53 | T | 88 | Confident | 88.5 | Confident | 48 Ų | 48 | 59.8 Ų | 59.8 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.9 | -37.9 | 179.3 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | S17 V49 G50 C51 A56 F57 | S17-T53 PolarHBondContact OG-OG1 3.05Å; V49-T53 HydrophobicContact CG1-CG2 4.47Å; V49-T53 WeakPolarHBondContact O-CB 3.21Å; V49-T53 VanDerWaalsContact O-CG2 3.31Å; V49-T53 WeakPolarHBondContact O-CG2 3.19Å; V49-T53 PolarHBondContact O-N 2.58Å; V49-T53 PolarHBondContact O-OG1 3.38Å; G50-T53 WeakPolarHBondContact CA-OG1 3.29Å; G50-T53 PolarHBondContact O-N 2.65Å; G50-T53 PolarHBondContact O-OG1 2.94Å; C51-T53 VanDerWaalsContact C-N 3.32Å; C51-T53 PolarHBondContact O-N 2.8Å; T53-A56 PolarHBondContact O-N 2.93Å; T53-F57 WeakPolarHBondContact O-CB 3.34Å; T53-F57 PolarHBondContact O-N 3.35Å |
| 54 | T | 87.4 | Confident | 87.9 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 17% | 0.172 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 173.7 | 40.9 | 0 | 0 | 0 | 0 | 111.8 | S17 L21 G50 C51 A56 F57 F58 | S17-T54 WeakPolarHBondContact OG-CG2 3.17Å; S17-T54 PolarHBondContact OG-N 3.49Å; S17-T54 VanDerWaalsContact OG-N 3.16Å; L21-T54 HydrophobicContact CD1-CG2 3.61Å; G50-T54 PolarHBondContact O-N 3.04Å; G50-T54 PolarHBondContact O-OG1 3.07Å; C51-T54 WeakPolarHBondContact CA-OG1 3.16Å; C51-T54 PolarHBondContact O-N 3.46Å; C51-T54 PolarHBondContact O-OG1 2.81Å; T54-A56 PolarHBondContact O-N 2.87Å; T54-F57 VanDerWaalsContact O-CB 3.32Å; T54-F57 WeakPolarHBondContact O-CB 3.26Å; T54-F57 PolarHBondContact O-N 3.19Å; T54-F58 VanDerWaalsContact O-CD2 3.26Å; T54-F58 WeakPolarHBondContact O-CD2 3.32Å; T54-F58 PolarHBondContact O-N 3.34Å |
| 55 | V | 87.9 | Confident | 87.3 | Confident | 92 Ų | 92 | 64.9 Ų | 64.9 | 56% | 0.558 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.9 | -46.2 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | C51 F57 F58 V59 | C51-V55 WeakPolarHBondContact O-CG2 3.34Å; C51-V55 PolarHBondContact O-N 3Å; C51-V55 VanDerWaalsContact O-N 3.07Å; V55-F57 VanDerWaalsContact C-N 3.27Å; V55-F57 PolarHBondContact O-N 2.92Å; V55-F58 PolarHBondContact O-N 3.18Å; V55-V59 HydrophobicContact CG1-CG2 4.42Å; V55-V59 WeakPolarHBondContact O-CG2 2.92Å; V55-V59 PolarHBondContact O-N 2.78Å |
| 56 | A | 86.2 | Confident | 86.7 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 44% | 0.438 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A52 T53 T54 V59 T60 | A52-A56 WeakPolarHBondContact O-CB 3.36Å; A52-A56 PolarHBondContact O-N 2.99Å; T53-A56 PolarHBondContact O-N 2.93Å; T54-A56 PolarHBondContact O-N 2.87Å; A56-V59 PolarHBondContact O-N 3.08Å; A56-T60 WeakPolarHBondContact O-CB 3.31Å; A56-T60 VanDerWaalsContact O-CG2 3.31Å; A56-T60 WeakPolarHBondContact O-CG2 3.31Å; A56-T60 PolarHBondContact O-N 2.96Å; A56-T60 PolarHBondContact O-OG1 2.99Å |
| 57 | F | 84.8 | Confident | 86 | Confident | 18 Ų | 18 | 70.4 Ų | 70.4 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 173.4 | 174.1 | -94.6 | 0 | 0 | 0 | 112.1 | F4 L10 F14 T53 T54 V55 V59 T60 Y61 | F4-F57 AromaticContact CE1-CE2 3.77Å; F4-F57 HydrophobicContact CE1-CE2 3.77Å; F4-F57 AromaticContact CE1-CZ 3.71Å; F4-F57 HydrophobicContact CE1-CZ 3.71Å; F4-F57 HydrophobicContact CZ-CE2 4.48Å; F4-F57 HydrophobicContact CZ-CZ 4.1Å; L10-F57 HydrophobicContact CB-CE2 3.87Å; L10-F57 HydrophobicContact CD2-CD2 3.6Å; L10-F57 HydrophobicContact CD2-CE2 3.59Å; L10-F57 HydrophobicContact CG-CE2 4.26Å; L10-F57 VanDerWaalsContact O-CE2 3.31Å; L10-F57 WeakPolarHBondContact O-CE2 3.37Å; F14-F57 HydrophobicContact CB-CE2 4.2Å; F14-F57 HydrophobicContact CB-CZ 4.34Å; F14-F57 HydrophobicContact CD2-CD1 4.49Å; F14-F57 HydrophobicContact CD2-CE1 4.17Å; F14-F57 HydrophobicContact CD2-CZ 4.42Å; T53-F57 WeakPolarHBondContact O-CB 3.34Å; T53-F57 PolarHBondContact O-N 3.35Å; T54-F57 VanDerWaalsContact O-CB 3.32Å; T54-F57 WeakPolarHBondContact O-CB 3.26Å; T54-F57 PolarHBondContact O-N 3.19Å; V55-F57 VanDerWaalsContact C-N 3.27Å; V55-F57 PolarHBondContact O-N 2.92Å; F57-V59 VanDerWaalsContact C-N 3.33Å; F57-V59 PolarHBondContact O-N 3.25Å; F57-T60 PolarHBondContact O-N 3.16Å; F57-T60 PolarHBondContact O-OG1 3.32Å; F57-Y61 WeakPolarHBondContact O-CB 3.14Å; F57-Y61 PolarHBondContact O-N 2.92Å |
| 58 | F | 86 | Confident | 85.2 | Confident | 125 Ų | 125 | 72.6 Ų | 72.6 | 55% | 0.548 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 178.3 | -84.2 | -70.3 | 0 | 0 | 0 | 112.1 | T54 V55 T62 | T54-F58 VanDerWaalsContact O-CD2 3.26Å; T54-F58 WeakPolarHBondContact O-CD2 3.32Å; T54-F58 PolarHBondContact O-N 3.34Å; V55-F58 PolarHBondContact O-N 3.18Å; F58-T62 VanDerWaalsContact O-CB 3.3Å; F58-T62 WeakPolarHBondContact O-CB 3.34Å; F58-T62 WeakPolarHBondContact O-CG2 3.33Å; F58-T62 PolarHBondContact O-N 2.88Å; F58-T62 PolarHBondContact O-OG1 2.97Å |
| 59 | V | 86.8 | Confident | 84.4 | Confident | 72 Ų | 72 | 74.1 Ų | 74.1 | 44% | 0.436 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | V55 A56 F57 Y61 T62 L63 | V55-V59 HydrophobicContact CG1-CG2 4.42Å; V55-V59 WeakPolarHBondContact O-CG2 2.92Å; V55-V59 PolarHBondContact O-N 2.78Å; A56-V59 PolarHBondContact O-N 3.08Å; F57-V59 VanDerWaalsContact C-N 3.33Å; F57-V59 PolarHBondContact O-N 3.25Å; V59-Y61 PolarHBondContact O-N 3.36Å; V59-T62 PolarHBondContact O-N 2.84Å; V59-T62 PolarHBondContact O-OG1 3.37Å; V59-T62 VanDerWaalsContact O-OG1 3.04Å; V59-L63 HydrophobicContact CG1-CD1 3.74Å; V59-L63 HydrophobicContact CG1-CG 4.35Å; V59-L63 VanDerWaalsContact O-CB 3.29Å; V59-L63 WeakPolarHBondContact O-CB 3.41Å; V59-L63 WeakPolarHBondContact O-CG 3.45Å; V59-L63 PolarHBondContact O-N 3.42Å |
| 60 | T | 83.4 | Confident | 83.6 | Confident | 70 Ų | 70 | 78.4 Ų | 78.4 | 43% | 0.429 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | -180 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | A56 F57 K64 | A56-T60 WeakPolarHBondContact O-CB 3.31Å; A56-T60 VanDerWaalsContact O-CG2 3.31Å; A56-T60 WeakPolarHBondContact O-CG2 3.31Å; A56-T60 PolarHBondContact O-N 2.96Å; A56-T60 PolarHBondContact O-OG1 2.99Å; F57-T60 PolarHBondContact O-N 3.16Å; F57-T60 PolarHBondContact O-OG1 3.32Å; T60-K64 WeakPolarHBondContact O-CB 3.46Å; T60-K64 PolarHBondContact O-N 2.92Å |
| 61 | Y | 82.9 | Confident | 82.8 | Confident | 59 Ų | 59 | 84.5 Ų | 84.5 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.4 | -50.2 | 176.8 | 179.2 | -97 | 0 | 0 | 0 | 112.1 | L3 F57 V59 K64 Q65 | L3-Y61 HydrophobicContact CD2-CE2 4.19Å; L3-Y61 WeakPolarHBondContact CD2-OH 3.44Å; F57-Y61 WeakPolarHBondContact O-CB 3.14Å; F57-Y61 PolarHBondContact O-N 2.92Å; V59-Y61 PolarHBondContact O-N 3.36Å; Y61-K64 PolarHBondContact O-N 3.43Å; Y61-Q65 WeakPolarHBondContact O-CB 3.44Å; Y61-Q65 PolarHBondContact O-N 3.41Å |
| 62 | T | 82.9 | Confident | 82 | Confident | 66 Ų | 66 | 88 Ų | 88 | 41% | 0.405 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.5 | -48.1 | -179.1 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | F58 V59 K64 Q65 I66 | F58-T62 VanDerWaalsContact O-CB 3.3Å; F58-T62 WeakPolarHBondContact O-CB 3.34Å; F58-T62 WeakPolarHBondContact O-CG2 3.33Å; F58-T62 PolarHBondContact O-N 2.88Å; F58-T62 PolarHBondContact O-OG1 2.97Å; V59-T62 PolarHBondContact O-N 2.84Å; V59-T62 PolarHBondContact O-OG1 3.37Å; V59-T62 VanDerWaalsContact O-OG1 3.04Å; T62-K64 VanDerWaalsContact C-N 3.27Å; T62-K64 PolarHBondContact O-N 2.94Å; T62-Q65 PolarHBondContact O-N 3.41Å; T62-I66 VanDerWaalsContact O-CG1 3.24Å; T62-I66 WeakPolarHBondContact O-CG1 3.3Å; T62-I66 PolarHBondContact O-N 3.44Å |
| 63 | L | 82.3 | Confident | 81.1 | Confident | 99 Ų | 99 | 92.4 Ų | 92.4 | 52% | 0.518 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 175.5 | -72.6 | 175.2 | 0 | 0 | 0 | 111.3 | V59 I66 R67 | V59-L63 HydrophobicContact CG1-CD1 3.74Å; V59-L63 HydrophobicContact CG1-CG 4.35Å; V59-L63 VanDerWaalsContact O-CB 3.29Å; V59-L63 WeakPolarHBondContact O-CB 3.41Å; V59-L63 WeakPolarHBondContact O-CG 3.45Å; V59-L63 PolarHBondContact O-N 3.42Å; L63-I66 PolarHBondContact O-N 2.89Å; L63-R67 WeakPolarHBondContact O-CB 3.46Å; L63-R67 VanDerWaalsContact O-CG 3.27Å; L63-R67 WeakPolarHBondContact O-CG 3.44Å; L63-R67 PolarHBondContact O-N 2.93Å |
| 64 | K | 78.9 | Confident | 80.4 | Confident | 91 Ų | 91 | 96.5 Ų | 96.5 | 40% | 0.396 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 179.1 | -168.1 | 176.6 | 175.5 | -174.2 | 0 | 112.3 | E7 T60 Y61 T62 I66 R67 K68 | E7-K64 IonicContact OE1-NZ 2.58Å; E7-K64 PolarHBondContact OE1-NZ 2.94Å; E7-K64 IonicContact OE2-NZ 2.65Å; E7-K64 PolarHBondContact OE2-NZ 3.29Å; T60-K64 WeakPolarHBondContact O-CB 3.46Å; T60-K64 PolarHBondContact O-N 2.92Å; Y61-K64 PolarHBondContact O-N 3.43Å; T62-K64 VanDerWaalsContact C-N 3.27Å; T62-K64 PolarHBondContact O-N 2.94Å; K64-I66 VanDerWaalsContact C-N 3.29Å; K64-I66 PolarHBondContact O-N 3.43Å; K64-R67 PolarHBondContact O-N 2.91Å; K64-K68 PolarHBondContact O-N 3.36Å |
| 65 | Q | 81.2 | Confident | 79.8 | Confident | 75 Ų | 75 | 100.2 Ų | 100.2 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 175.7 | -158.7 | -158.1 | 83.8 | 0 | 0 | 110.7 | Y61 T62 K68 K69 | Y61-Q65 WeakPolarHBondContact O-CB 3.44Å; Y61-Q65 PolarHBondContact O-N 3.41Å; T62-Q65 PolarHBondContact O-N 3.41Å; Q65-K68 PolarHBondContact O-N 2.88Å; Q65-K69 WeakPolarHBondContact O-CG 3.34Å; Q65-K69 PolarHBondContact O-N 2.93Å |
| 66 | I | 79.5 | Confident | 79.1 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 42% | 0.415 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 174.2 | -65.6 | 165 | 0 | 0 | 0 | 110.4 | T62 L63 K64 K68 K69 R70 | T62-I66 VanDerWaalsContact O-CG1 3.24Å; T62-I66 WeakPolarHBondContact O-CG1 3.3Å; T62-I66 PolarHBondContact O-N 3.44Å; L63-I66 PolarHBondContact O-N 2.89Å; K64-I66 VanDerWaalsContact C-N 3.29Å; K64-I66 PolarHBondContact O-N 3.43Å; I66-K68 PolarHBondContact O-N 3.28Å; I66-K69 PolarHBondContact O-N 3.49Å; I66-R70 HydrophobicContact CG2-CG 4.42Å; I66-R70 WeakPolarHBondContact O-CG 3.45Å; I66-R70 PolarHBondContact O-N 2.83Å |
| 67 | R | 79 | Confident | 78.7 | Confident | 171 Ų | 171 | 103.4 Ų | 103.4 | 65% | 0.645 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 177.1 | -73.3 | 178.8 | 79.7 | 179.9 | 5.7 | 112.4 | L63 K64 R70 K71 | L63-R67 WeakPolarHBondContact O-CB 3.46Å; L63-R67 VanDerWaalsContact O-CG 3.27Å; L63-R67 WeakPolarHBondContact O-CG 3.44Å; L63-R67 PolarHBondContact O-N 2.93Å; K64-R67 PolarHBondContact O-N 2.91Å; R67-R70 PolarHBondContact O-N 3.45Å; R67-K71 WeakPolarHBondContact O-CG 3.42Å; R67-K71 PolarHBondContact O-N 3.16Å |
| 68 | K | 76 | Confident | 78.1 | Confident | 110 Ų | 110 | 110.7 Ų | 110.7 | 48% | 0.478 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.8 | -169.5 | 175.8 | -177.9 | 175.6 | 0 | 111.2 | K64 Q65 I66 R72 | K64-K68 PolarHBondContact O-N 3.36Å; Q65-K68 PolarHBondContact O-N 2.88Å; I66-K68 PolarHBondContact O-N 3.28Å; K68-R72 WeakPolarHBondContact O-CG 3.09Å; K68-R72 PolarHBondContact O-N 3.44Å; K68-R72 VanDerWaalsContact O-N 3.17Å; K68-R72 PolarHBondContact O-NE 2.9Å |
| 69 | K | 76 | Confident | 77.5 | Confident | 109 Ų | 109 | 109.3 Ų | 109.3 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 173.2 | -73.5 | 177 | 176.2 | 170.4 | 0 | 111.5 | Q65 I66 R72 K73 | Q65-K69 WeakPolarHBondContact O-CG 3.34Å; Q65-K69 PolarHBondContact O-N 2.93Å; I66-K69 PolarHBondContact O-N 3.49Å; K69-R72 PolarHBondContact O-N 3.37Å; K69-K73 WeakPolarHBondContact O-CG 3.32Å; K69-K73 PolarHBondContact O-N 2.87Å |
| 70 | R | 73.7 | Confident | 76.9 | Confident | 170 Ų | 170 | 110.9 Ų | 110.9 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 177.1 | -73.6 | -177.3 | 179.8 | -159.6 | 0.5 | 113.1 | I66 R67 K73 K74 | I66-R70 HydrophobicContact CG2-CG 4.42Å; I66-R70 WeakPolarHBondContact O-CG 3.45Å; I66-R70 PolarHBondContact O-N 2.83Å; R67-R70 PolarHBondContact O-N 3.45Å; R70-K73 PolarHBondContact O-N 3.27Å; R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.96Å |
| 71 | K | 75.1 | Confident | 76.6 | Confident | 129 Ų | 129 | 112.3 Ų | 112.3 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -47.1 | 175.9 | -75.3 | -171.9 | 177.2 | -167.9 | 0 | 111.5 | R67 K73 K74 E75 | R67-K71 WeakPolarHBondContact O-CG 3.42Å; R67-K71 PolarHBondContact O-N 3.16Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 2.96Å; K71-K74 PolarHBondContact O-N 2.85Å; K71-K74 VanDerWaalsContact O-N 3.13Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 3.45Å |
| 72 | R | 73 | Confident | 76.2 | Confident | 119 Ų | 119 | 114.4 Ų | 114.4 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 176.5 | -72.7 | -173.8 | -74.9 | -155.6 | 4 | 112.8 | K68 K69 E75 I76 | K68-R72 WeakPolarHBondContact O-CG 3.09Å; K68-R72 PolarHBondContact O-N 3.44Å; K68-R72 VanDerWaalsContact O-N 3.17Å; K68-R72 PolarHBondContact O-NE 2.9Å; K69-R72 PolarHBondContact O-N 3.37Å; R72-E75 PolarHBondContact O-N 3.08Å; R72-I76 WeakPolarHBondContact O-CB 3.3Å; R72-I76 WeakPolarHBondContact O-CD1 3.43Å; R72-I76 WeakPolarHBondContact O-CG1 3.25Å; R72-I76 PolarHBondContact O-N 3.41Å |
| 73 | K | 71.6 | Confident | 75.7 | Confident | 155 Ų | 155 | 118 Ų | 118 | 67% | 0.674 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -44.4 | 173.9 | -73 | -169.4 | 175.1 | -159.6 | 0 | 112.2 | K69 R70 K71 I76 E77 | K69-K73 WeakPolarHBondContact O-CG 3.32Å; K69-K73 PolarHBondContact O-N 2.87Å; R70-K73 PolarHBondContact O-N 3.27Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 2.96Å; K73-I76 PolarHBondContact O-N 3Å; K73-E77 WeakPolarHBondContact O-CB 3.41Å; K73-E77 PolarHBondContact O-N 3.37Å |
| 74 | K | 73.5 | Confident | 75.5 | Confident | 134 Ų | 134 | 120.1 Ų | 120.1 | 58% | 0.583 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.3 | -36.4 | 177.9 | -72.4 | -171.7 | 176.7 | -164.4 | 0 | 113.3 | R70 K71 R78 | R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.96Å; K71-K74 PolarHBondContact O-N 2.85Å; K71-K74 VanDerWaalsContact O-N 3.13Å; K74-R78 WeakPolarHBondContact O-CG 3.07Å; K74-R78 PolarHBondContact O-N 2.91Å; K74-R78 VanDerWaalsContact O-N 3.08Å |
| 75 | E | 75.2 | Confident | 75.1 | Confident | 107 Ų | 107 | 121.9 Ų | 121.9 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68 | -43.9 | 175.9 | -73.6 | 162.7 | -162.3 | 0 | 0 | 111.1 | K71 R72 E77 R78 I79 | K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 3.45Å; R72-E75 PolarHBondContact O-N 3.08Å; E75-E77 VanDerWaalsContact C-N 3.34Å; E75-E77 PolarHBondContact O-N 3.41Å; E75-R78 PolarHBondContact O-N 2.87Å; E75-I79 VanDerWaalsContact O-CG1 3.28Å; E75-I79 WeakPolarHBondContact O-CG1 3.44Å; E75-I79 PolarHBondContact O-N 2.84Å |
| 76 | I | 73.8 | Confident | 74.7 | Confident | 102 Ų | 102 | 122.6 Ų | 122.6 | 52% | 0.523 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.6 | -41.5 | 175.1 | -66.5 | 164.9 | 0 | 0 | 0 | 110.9 | R72 K73 I79 L80 | R72-I76 WeakPolarHBondContact O-CB 3.3Å; R72-I76 WeakPolarHBondContact O-CD1 3.43Å; R72-I76 WeakPolarHBondContact O-CG1 3.25Å; R72-I76 PolarHBondContact O-N 3.41Å; K73-I76 PolarHBondContact O-N 3Å; I76-I79 PolarHBondContact O-N 2.88Å; I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.5Å; I76-L80 WeakPolarHBondContact O-CG 3.29Å; I76-L80 PolarHBondContact O-N 3.47Å |
| 77 | E | 76.3 | Confident | 74.3 | Confident | 109 Ų | 109 | 123.1 Ų | 123.1 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.5 | -43.5 | 177 | -173.2 | 176.8 | -174.3 | 0 | 0 | 112.1 | K73 E75 I79 L80 Q81 | K73-E77 WeakPolarHBondContact O-CB 3.41Å; K73-E77 PolarHBondContact O-N 3.37Å; E75-E77 VanDerWaalsContact C-N 3.34Å; E75-E77 PolarHBondContact O-N 3.41Å; E77-I79 PolarHBondContact O-N 3.14Å; E77-L80 PolarHBondContact O-N 2.79Å; E77-Q81 WeakPolarHBondContact O-CG 3.5Å; E77-Q81 PolarHBondContact O-N 2.82Å |
| 78 | R | 72.5 | Confident | 73.6 | Confident | 171 Ų | 171 | 117.6 Ų | 117.6 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.7 | -39.6 | 173.8 | -71.3 | -173.4 | -151.5 | -178.1 | 3.3 | 112.8 | K74 E75 L80 Q81 L82 | K74-R78 WeakPolarHBondContact O-CG 3.07Å; K74-R78 PolarHBondContact O-N 2.91Å; K74-R78 VanDerWaalsContact O-N 3.08Å; E75-R78 PolarHBondContact O-N 2.87Å; R78-L80 VanDerWaalsContact C-N 3.31Å; R78-Q81 PolarHBondContact O-N 2.97Å; R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 3.47Å |
| 79 | I | 74.8 | Confident | 72.9 | Confident | 96 Ų | 96 | 119.9 Ų | 119.9 | 49% | 0.492 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -37.2 | 177.3 | -66.4 | 164.9 | 0 | 0 | 0 | 110.6 | E75 I76 E77 K83 | E75-I79 VanDerWaalsContact O-CG1 3.28Å; E75-I79 WeakPolarHBondContact O-CG1 3.44Å; E75-I79 PolarHBondContact O-N 2.84Å; I76-I79 PolarHBondContact O-N 2.88Å; E77-I79 PolarHBondContact O-N 3.14Å; I79-K83 WeakPolarHBondContact O-CB 3.31Å; I79-K83 PolarHBondContact O-N 2.85Å |
| 80 | L | 73.8 | Confident | 72.2 | Confident | 105 Ų | 105 | 121 Ų | 121 | 55% | 0.55 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.4 | -45.2 | 174.6 | -79.3 | 165.6 | 0 | 0 | 0 | 111.7 | I76 E77 R78 L82 K83 E84 | I76-L80 HydrophobicContact CG2-CD1 4Å; I76-L80 HydrophobicContact CG2-CG 4.5Å; I76-L80 WeakPolarHBondContact O-CG 3.29Å; I76-L80 PolarHBondContact O-N 3.47Å; E77-L80 PolarHBondContact O-N 2.79Å; R78-L80 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 2.87Å; L80-K83 CarbonylContact O-C 3.47Å; L80-K83 PolarHBondContact O-N 3.18Å; L80-K83 VanDerWaalsContact O-N 3.16Å; L80-E84 WeakPolarHBondContact O-CB 3.18Å; L80-E84 PolarHBondContact O-N 2.84Å |
| 81 | Q | 76.8 | Confident | 71.5 | Confident | 100 Ų | 100 | 117.5 Ų | 117.5 | 47% | 0.467 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.6 | -45.7 | 175 | -73.7 | 175.5 | -14.9 | 0 | 0 | 111.8 | E77 R78 K83 E84 E85 | E77-Q81 WeakPolarHBondContact O-CG 3.5Å; E77-Q81 PolarHBondContact O-N 2.82Å; R78-Q81 PolarHBondContact O-N 2.97Å; Q81-K83 VanDerWaalsContact C-N 3.32Å; Q81-K83 PolarHBondContact O-N 2.92Å; Q81-E84 PolarHBondContact O-N 2.88Å; Q81-E84 VanDerWaalsContact O-N 3.16Å; Q81-E85 WeakPolarHBondContact O-CG 3.46Å; Q81-E85 PolarHBondContact O-N 3.44Å |
| 82 | L | 74.1 | Confident | 70.6 | Confident | 103 Ų | 103 | 118.1 Ų | 118.1 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.8 | -39.2 | 174.9 | -75 | 164.7 | 0 | 0 | 0 | 112 | R78 L80 V86 | R78-L82 WeakPolarHBondContact O-CG 3.47Å; R78-L82 PolarHBondContact O-N 3.47Å; L80-L82 PolarHBondContact O-N 2.87Å; L82-V86 VanDerWaalsContact O-CB 3.29Å; L82-V86 WeakPolarHBondContact O-CB 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 3.31Å |
| 83 | K | 73.6 | Confident | 69.8 | Low | 143 Ų | 143 | 118.9 Ų | 118.9 | 62% | 0.622 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.3 | -37.1 | 174 | -85.4 | -178.3 | 171.9 | -92.4 | 0 | 112.3 | I79 L80 Q81 N87 | I79-K83 WeakPolarHBondContact O-CB 3.31Å; I79-K83 PolarHBondContact O-N 2.85Å; L80-K83 CarbonylContact O-C 3.47Å; L80-K83 PolarHBondContact O-N 3.18Å; L80-K83 VanDerWaalsContact O-N 3.16Å; Q81-K83 VanDerWaalsContact C-N 3.32Å; Q81-K83 PolarHBondContact O-N 2.92Å; K83-N87 WeakPolarHBondContact O-CB 3.32Å; K83-N87 PolarHBondContact O-N 2.82Å |
| 84 | E | 76.6 | Confident | 69 | Low | 142 Ų | 142 | 114.3 Ų | 114.3 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.1 | -43.7 | 177.3 | -172.9 | 169.7 | -169.4 | 0 | 0 | 111.4 | L80 Q81 N87 A88 | L80-E84 WeakPolarHBondContact O-CB 3.18Å; L80-E84 PolarHBondContact O-N 2.84Å; Q81-E84 PolarHBondContact O-N 2.88Å; Q81-E84 VanDerWaalsContact O-N 3.16Å; E84-N87 PolarHBondContact O-N 3.02Å; E84-A88 VanDerWaalsContact O-CB 3.25Å; E84-A88 WeakPolarHBondContact O-CB 3.35Å; E84-A88 PolarHBondContact O-N 3.45Å |
| 85 | E | 71.7 | Confident | 68.1 | Low | 129 Ų | 129 | 113.7 Ų | 113.7 | 60% | 0.603 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.7 | -44.8 | 173.2 | -72.4 | 176.4 | -173.3 | 0 | 0 | 112 | Q81 A88 Y89 | Q81-E85 WeakPolarHBondContact O-CG 3.46Å; Q81-E85 PolarHBondContact O-N 3.44Å; E85-A88 PolarHBondContact O-N 3.42Å; E85-Y89 VanDerWaalsContact O-CB 3.26Å; E85-Y89 WeakPolarHBondContact O-CB 3.18Å; E85-Y89 PolarHBondContact O-N 3.09Å |
| 86 | V | 72.9 | Confident | 66.8 | Low | 89 Ų | 89 | 113.8 Ų | 113.8 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 176.2 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L82 Y89 E90 | L82-V86 VanDerWaalsContact O-CB 3.29Å; L82-V86 WeakPolarHBondContact O-CB 3.26Å; L82-V86 WeakPolarHBondContact O-CG2 3.44Å; L82-V86 PolarHBondContact O-N 3.31Å; V86-Y89 PolarHBondContact O-N 3.01Å; V86-E90 WeakPolarHBondContact O-CB 3.3Å; V86-E90 PolarHBondContact O-N 3.17Å |
| 87 | N | 70.8 | Confident | 65.9 | Low | 92 Ų | 92 | 112 Ų | 112 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 178.1 | -168.5 | 24.4 | 0 | 0 | 0 | 111.5 | K83 E84 Y89 E90 I91 | K83-N87 WeakPolarHBondContact O-CB 3.32Å; K83-N87 PolarHBondContact O-N 2.82Å; E84-N87 PolarHBondContact O-N 3.02Å; N87-Y89 PolarHBondContact O-N 2.89Å; N87-E90 PolarHBondContact O-N 3.31Å; N87-I91 WeakPolarHBondContact O-CB 3.29Å; N87-I91 WeakPolarHBondContact O-CD1 3.16Å; N87-I91 WeakPolarHBondContact O-CG1 3.4Å; N87-I91 PolarHBondContact O-N 3.07Å |
| 88 | A | 64.2 | Low | 64.8 | Low | 56 Ų | 56 | 113.5 Ų | 113.5 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | E84 E85 I91 Y92 | E84-A88 VanDerWaalsContact O-CB 3.25Å; E84-A88 WeakPolarHBondContact O-CB 3.35Å; E84-A88 PolarHBondContact O-N 3.45Å; E85-A88 PolarHBondContact O-N 3.42Å; A88-I91 PolarHBondContact O-N 3.19Å; A88-Y92 VanDerWaalsContact O-CB 3.3Å; A88-Y92 WeakPolarHBondContact O-CB 3.23Å; A88-Y92 PolarHBondContact O-N 3.41Å |
| 89 | Y | 60.5 | Low | 63.8 | Low | 158 Ų | 158 | 112.4 Ų | 112.4 | 62% | 0.62 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.2 | -39.5 | 176.7 | -166 | -95.4 | 0 | 0 | 0 | 112.2 | E85 V86 N87 I91 Y92 K93 | E85-Y89 VanDerWaalsContact O-CB 3.26Å; E85-Y89 WeakPolarHBondContact O-CB 3.18Å; E85-Y89 PolarHBondContact O-N 3.09Å; V86-Y89 PolarHBondContact O-N 3.01Å; N87-Y89 PolarHBondContact O-N 2.89Å; Y89-I91 VanDerWaalsContact C-N 3.34Å; Y89-Y92 PolarHBondContact O-N 3.42Å; Y89-K93 HydrophobicContact CE1-CD 4.19Å; Y89-K93 WeakPolarHBondContact O-CB 3.37Å; Y89-K93 PolarHBondContact O-N 3.35Å |
| 90 | E | 61.6 | Low | 62.9 | Low | 132 Ų | 132 | 111.9 Ų | 111.9 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.3 | -26.6 | 178 | -166.3 | 170.4 | -156.7 | 0 | 0 | 112.6 | V86 N87 P94 | V86-E90 WeakPolarHBondContact O-CB 3.3Å; V86-E90 PolarHBondContact O-N 3.17Å; N87-E90 PolarHBondContact O-N 3.31Å; E90-P94 WeakPolarHBondContact O-CD 3.44Å; E90-P94 VanDerWaalsContact O-CG 3.27Å; E90-P94 WeakPolarHBondContact O-CG 3.31Å |
| 91 | I | 59.5 | Low | 61.9 | Low | 96 Ų | 96 | 113 Ų | 113 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -78.6 | -36.6 | 168.9 | -65.6 | 164.2 | 0 | 0 | 0 | 111 | N87 A88 Y89 P94 | N87-I91 WeakPolarHBondContact O-CB 3.29Å; N87-I91 WeakPolarHBondContact O-CD1 3.16Å; N87-I91 WeakPolarHBondContact O-CG1 3.4Å; N87-I91 PolarHBondContact O-N 3.07Å; A88-I91 PolarHBondContact O-N 3.19Å; Y89-I91 VanDerWaalsContact C-N 3.34Å; I91-P94 VanDerWaalsContact O-CD 3.29Å; I91-P94 WeakPolarHBondContact O-CD 3.11Å; I91-P94 VanDerWaalsContact O-CG 3.3Å; I91-P94 WeakPolarHBondContact O-CG 3.47Å |
| 92 | Y | 56.3 | Low | 60.8 | Low | 142 Ų | 142 | 115.1 Ų | 115.1 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.5 | -34.6 | -178.5 | -147 | -93.1 | 0 | 0 | 0 | 112.7 | A88 Y89 Q95 M96 | A88-Y92 VanDerWaalsContact O-CB 3.3Å; A88-Y92 WeakPolarHBondContact O-CB 3.23Å; A88-Y92 PolarHBondContact O-N 3.41Å; Y89-Y92 PolarHBondContact O-N 3.42Å; Y92-Q95 PolarHBondContact O-N 3.5Å; Y92-M96 HydrophobicContact CD1-CE 3.69Å; Y92-M96 HydrophobicContact CD1-CG 4.08Å; Y92-M96 HydrophobicContact CE1-CE 3.74Å; Y92-M96 HydrophobicContact CE1-CG 3.93Å; Y92-M96 HydrophobicContact CE1-SD 4.5Å; Y92-M96 PolarHBondContact O-N 2.99Å |
| 93 | K | 54.9 | Low | 59.7 | Low | 135 Ų | 135 | 112.5 Ų | 112.5 | 59% | 0.587 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.9 | -45.1 | 180 | -154.3 | 178.2 | -173.6 | -173.8 | 0 | 114.2 | Y89 Q95 M96 S97 | Y89-K93 HydrophobicContact CE1-CD 4.19Å; Y89-K93 WeakPolarHBondContact O-CB 3.37Å; Y89-K93 PolarHBondContact O-N 3.35Å; K93-Q95 VanDerWaalsContact C-N 3.29Å; K93-Q95 PolarHBondContact O-N 3.41Å; K93-M96 PolarHBondContact O-N 3.46Å; K93-S97 WeakPolarHBondContact O-CB 3.28Å; K93-S97 PolarHBondContact O-N 3.15Å; K93-S97 PolarHBondContact O-OG 3.25Å |
| 94 | P | 55.5 | Low | 58.5 | Low | 60 Ų | 60 | 115.1 Ų | 115.1 | 39% | 0.39 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.8 | -25.2 | 174.5 | 26.1 | -33.2 | 0 | 0 | 0 | 112.5 | E90 I91 S97 K98 | E90-P94 WeakPolarHBondContact O-CD 3.44Å; E90-P94 VanDerWaalsContact O-CG 3.27Å; E90-P94 WeakPolarHBondContact O-CG 3.31Å; I91-P94 VanDerWaalsContact O-CD 3.29Å; I91-P94 WeakPolarHBondContact O-CD 3.11Å; I91-P94 VanDerWaalsContact O-CG 3.3Å; I91-P94 WeakPolarHBondContact O-CG 3.47Å; P94-S97 WeakPolarHBondContact CA-OG 3.34Å; P94-S97 PolarHBondContact O-OG 2.92Å; P94-S97 VanDerWaalsContact O-OG 3.1Å; P94-K98 WeakPolarHBondContact O-CB 3.32Å; P94-K98 WeakPolarHBondContact O-CG 3.36Å; P94-K98 PolarHBondContact O-N 2.97Å; P94-K98 VanDerWaalsContact O-N 3.14Å |
| 95 | Q | 54.1 | Low | 57.2 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.1 | -42 | 173.3 | -72.6 | -160.6 | -19.5 | 0 | 0 | 112.3 | Y92 K93 K98 M99 | Y92-Q95 PolarHBondContact O-N 3.5Å; K93-Q95 VanDerWaalsContact C-N 3.29Å; K93-Q95 PolarHBondContact O-N 3.41Å; Q95-K98 PolarHBondContact O-N 3.32Å; Q95-M99 WeakPolarHBondContact O-CB 3.44Å; Q95-M99 PolarHBondContact O-N 3.17Å |
| 96 | M | 48.9 | Very low | 56 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 53% | 0.532 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.6 | -43.7 | 173.3 | -102.9 | -152.2 | -93.5 | 0 | 0 | 111.1 | Y92 K93 K98 M99 T100 | Y92-M96 HydrophobicContact CD1-CE 3.69Å; Y92-M96 HydrophobicContact CD1-CG 4.08Å; Y92-M96 HydrophobicContact CE1-CE 3.74Å; Y92-M96 HydrophobicContact CE1-CG 3.93Å; Y92-M96 HydrophobicContact CE1-SD 4.5Å; Y92-M96 PolarHBondContact O-N 2.99Å; K93-M96 PolarHBondContact O-N 3.46Å; M96-K98 VanDerWaalsContact C-N 3.32Å; M96-K98 PolarHBondContact O-N 2.98Å; M96-M99 PolarHBondContact O-N 2.92Å; M96-T100 PolarHBondContact O-N 3.43Å; M96-T100 PolarHBondContact O-OG1 2.98Å |
| 97 | S | 54.5 | Low | 54.7 | Low | 65 Ų | 65 | 118 Ų | 118 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.9 | -42.5 | 177.2 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | K93 P94 T100 D101 | K93-S97 WeakPolarHBondContact O-CB 3.28Å; K93-S97 PolarHBondContact O-N 3.15Å; K93-S97 PolarHBondContact O-OG 3.25Å; P94-S97 WeakPolarHBondContact CA-OG 3.34Å; P94-S97 PolarHBondContact O-OG 2.92Å; P94-S97 VanDerWaalsContact O-OG 3.1Å; S97-T100 WeakPolarHBondContact CA-OG1 3.49Å; S97-T100 PolarHBondContact O-N 3.41Å; S97-T100 PolarHBondContact O-OG1 3.01Å; S97-D101 WeakPolarHBondContact O-CB 3.45Å; S97-D101 PolarHBondContact O-N 3.49Å |
| 98 | K | 53.6 | Low | 53.4 | Low | 141 Ų | 141 | 116.5 Ų | 116.5 | 61% | 0.613 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 175.3 | -76.1 | 178.9 | 179.6 | -169.4 | 0 | 113.1 | P94 Q95 M96 D101 E102 | P94-K98 WeakPolarHBondContact O-CB 3.32Å; P94-K98 WeakPolarHBondContact O-CG 3.36Å; P94-K98 PolarHBondContact O-N 2.97Å; P94-K98 VanDerWaalsContact O-N 3.14Å; Q95-K98 PolarHBondContact O-N 3.32Å; M96-K98 VanDerWaalsContact C-N 3.32Å; M96-K98 PolarHBondContact O-N 2.98Å; K98-D101 PolarHBondContact O-N 2.75Å; K98-E102 WeakPolarHBondContact O-CG 3.4Å; K98-E102 PolarHBondContact O-N 3.25Å |
| 99 | M | 51.7 | Low | 52.5 | Low | 147 Ų | 147 | 121.2 Ų | 121.2 | 72% | 0.724 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68 | -36.5 | 176.3 | -101.8 | 179.4 | 173.9 | 0 | 0 | 112.9 | Q95 M96 G103 | Q95-M99 WeakPolarHBondContact O-CB 3.44Å; Q95-M99 PolarHBondContact O-N 3.17Å; M96-M99 PolarHBondContact O-N 2.92Å; M99-G103 PolarHBondContact O-N 3.04Å |
| 100 | T | 55.1 | Low | 51.6 | Low | 85 Ų | 85 | 121.5 Ų | 121.5 | 52% | 0.521 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.7 | -33.4 | 173.6 | 37.5 | 0 | 0 | 0 | 0 | 112.4 | M96 S97 G103 Y104 | M96-T100 PolarHBondContact O-N 3.43Å; M96-T100 PolarHBondContact O-OG1 2.98Å; S97-T100 WeakPolarHBondContact CA-OG1 3.49Å; S97-T100 PolarHBondContact O-N 3.41Å; S97-T100 PolarHBondContact O-OG1 3.01Å; T100-G103 PolarHBondContact O-N 3.07Å; T100-Y104 WeakPolarHBondContact O-CD2 3.48Å |
| 101 | D | 54 | Low | 50.9 | Low | 129 Ų | 129 | 122.5 Ų | 122.5 | 69% | 0.69 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.6 | -42.3 | 177.6 | -147 | 28.9 | 0 | 0 | 0 | 110.7 | S97 K98 G103 | S97-D101 WeakPolarHBondContact O-CB 3.45Å; S97-D101 PolarHBondContact O-N 3.49Å; K98-D101 PolarHBondContact O-N 2.75Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.06Å |
| 102 | E | 52.9 | Low | 50.1 | Low | 144 Ų | 144 | 123.7 Ų | 123.7 | 67% | 0.673 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -73.8 | -18.5 | 175.5 | -69.2 | -176.3 | 174.8 | 0 | 0 | 113.8 | K98 | K98-E102 WeakPolarHBondContact O-CG 3.4Å; K98-E102 PolarHBondContact O-N 3.25Å |
| 103 | G | 50.7 | Low | 49.5 | Very low | 48 Ų | 48 | 126.3 Ų | 126.3 | 50% | 0.495 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -79.7 | -18.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | M99 T100 D101 | M99-G103 PolarHBondContact O-N 3.04Å; T100-G103 PolarHBondContact O-N 3.07Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.06Å |
| 104 | Y | 48.1 | Very low | 49.1 | Very low | 198 Ų | 198 | 130 Ų | 130 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -93.7 | -13.4 | -179.2 | -89 | -83.8 | 0 | 0 | 0 | 114.4 | T100 | T100-Y104 WeakPolarHBondContact O-CD2 3.48Š|
| 105 | D | 50.1 | Low | 48.5 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -7 | -175.1 | -79 | -2.8 | 0 | 0 | 0 | 114.7 | ||
| 106 | N | 47.3 | Very low | 48 | Very low | 146 Ų | 146 | 134.5 Ų | 134.5 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 13.7 | -177.3 | -67 | -37.3 | 0 | 0 | 0 | 115.1 | ||
| 107 | V | 44.6 | Very low | 47.8 | Very low | 138 Ų | 138 | 136 Ų | 136 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | -119.9 | 69.6 | 172.2 | -166.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 108 | G | 43 | Very low | 47.4 | Very low | 62 Ų | 62 | 144.7 Ų | 144.7 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -151 | 74.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 109 | L | 45.7 | Very low | 47.1 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | 67.2 | 79.6 | 157.7 | -75.3 | 91.7 | 0 | 0 | 0 | 118.4 | H111 | L109-H111 VanDerWaalsContact C-N 3.34Å; L109-H111 HydrophobicContact CD2-CB 4.28Å; L109-H111 HydrophobicContact CG-CB 4.47Å | ||
| 110 | D | 42.5 | Very low | 46.8 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -87.5 | 82.9 | 133.9 | -165.5 | 1.2 | 0 | 0 | 0 | 107.4 | ||||
| 111 | H | 46.8 | Very low | 46.3 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -118.1 | 72.6 | 172.3 | -119.7 | -42.8 | 0 | 0 | 0 | 109.1 | L109 E113 | L109-H111 VanDerWaalsContact C-N 3.34Å; L109-H111 HydrophobicContact CD2-CB 4.28Å; L109-H111 HydrophobicContact CG-CB 4.47Å; H111-E113 PolarHBondContact O-N 2.64Å | ||
| 112 | N | 42.4 | Very low | 45.9 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 65% | 0.647 | 80% | 0.796 | S | S | * | * | 24.4 | 69.8 | 127 | -159.7 | 22.2 | 0 | 0 | 0 | 116 | R114 | N112-R114 PolarHBondContact O-N 3.03Å; N112-R114 VanDerWaalsContact O-N 3.13Å; N112-R114 VanDerWaalsContact OD1-CB 3.31Å; N112-R114 WeakPolarHBondContact OD1-CB 3.25Å | |||
| 113 | E | 44.1 | Very low | 45.5 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -82.5 | 71.7 | 157.7 | -78.8 | -169.2 | 159 | 0 | 0 | 108.8 | H111 | H111-E113 PolarHBondContact O-N 2.64Š| ||
| 114 | R | 45 | Very low | 45.1 | Very low | 213 Ų | 213 | 156.3 Ų | 156.3 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -105.7 | 74.3 | 166 | -169.8 | -167 | -107.7 | -173.5 | -2.2 | 109.2 | N112 | N112-R114 PolarHBondContact O-N 3.03Å; N112-R114 VanDerWaalsContact O-N 3.13Å; N112-R114 VanDerWaalsContact OD1-CB 3.31Å; N112-R114 WeakPolarHBondContact OD1-CB 3.25Å | ||
| 115 | T | 44 | Very low | 44.9 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -174.1 | 92.7 | 158 | 12.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 116 | T | 42.2 | Very low | 44.5 | Very low | 143 Ų | 143 | 154.7 Ų | 154.7 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | -158.8 | 106.6 | 83.3 | 20.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 117 | T | 44.6 | Very low | 44.3 | Very low | 138 Ų | 138 | 155.4 Ų | 155.4 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | trans | -97.9 | 111.8 | 160.6 | 49.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 118 | L | 46.4 | Very low | 44.2 | Very low | 249 Ų | 249 | 157 Ų | 157 | 100% | 1.304 | 84% | 0.84 | S | S | * | * | trans | 66.5 | 0 | 158.6 | -61.7 | 168.6 | 0 | 0 | 0 | 117.9 |
Retrieved 118 of 118 residues in 176.5 ms
(Link to these results)