| 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 | 51.7 | Low | 69 | Low | 153 Ų | 153 | 115.2 Ų | 115.2 | 75% | 0.754 | 56% | 0.563 | S | S | * | * | 0 | -48.6 | 0 | -71.9 | -166.7 | -175.3 | 0 | 0 | 114.4 | F3 I4 M5 | M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 2.71Å; M1-I4 PolarHBondContact O-N 2.71Å; M1-M5 PolarHBondContact O-N 3.03Å | |||
| 2 | K | 53.4 | Low | 69.7 | Low | 195 Ų | 195 | 111 Ų | 111 | 85% | 0.848 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -58.4 | -38.9 | -179.7 | -67.2 | 177.7 | -179.3 | 168.4 | 0 | 113.7 | L6 | K2-L6 PolarHBondContact O-N 3.5Å; K2-L6 VanDerWaalsContact O-N 3.11Å |
| 3 | F | 61.5 | Low | 70.3 | Confident | 156 Ų | 156 | 110.5 Ų | 110.5 | 68% | 0.684 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.4 | -42.7 | -179.4 | -162.7 | -97.2 | 0 | 0 | 0 | 113.3 | M1 L6 V7 | M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 2.71Å; F3-L6 WeakPolarHBondContact O-CB 3.43Å; F3-L6 PolarHBondContact O-N 3.07Å; F3-L6 VanDerWaalsContact O-N 3.15Å; F3-V7 HydrophobicContact CD1-CG2 4.01Å; F3-V7 HydrophobicContact CE1-CG2 3.84Å; F3-V7 WeakPolarHBondContact O-CG2 3.24Å; F3-V7 PolarHBondContact O-N 3.04Å |
| 4 | I | 69.3 | Low | 70.6 | Confident | 51 Ų | 51 | 108.4 Ų | 108.4 | 26% | 0.262 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.1 | -66.6 | 123.5 | 0 | 0 | 0 | 111.7 | M1 L6 V7 F8 F135 | M1-I4 PolarHBondContact O-N 2.71Å; I4-L6 PolarHBondContact O-N 2.9Å; I4-V7 PolarHBondContact O-N 2.82Å; I4-F8 WeakPolarHBondContact O-CB 3.17Å; I4-F8 PolarHBondContact O-N 3.07Å; I4-F135 HydrophobicContact CB-CZ 4.11Å; I4-F135 HydrophobicContact CD1-CD1 3.93Å; I4-F135 HydrophobicContact CD1-CE1 3.12Å; I4-F135 HydrophobicContact CD1-CE2 4.41Å; I4-F135 HydrophobicContact CD1-CZ 3.45Å; I4-F135 VanDerWaalsContact CD1-CZ 3.45Å; I4-F135 HydrophobicContact CG1-CE1 3.58Å; I4-F135 HydrophobicContact CG1-CZ 3.61Å; I4-F135 HydrophobicContact CG2-CE1 4.47Å; I4-F135 HydrophobicContact CG2-CE2 4.38Å; I4-F135 HydrophobicContact CG2-CZ 3.63Å |
| 5 | M | 67.5 | Low | 70.8 | Confident | 147 Ų | 147 | 105.5 Ų | 105.5 | 72% | 0.724 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -38.6 | 174.3 | -100.8 | -156.8 | 176.4 | 0 | 0 | 111.2 | M1 F8 V9 | M1-M5 PolarHBondContact O-N 3.03Å; M5-F8 PolarHBondContact O-N 3.25Å; M5-V9 WeakPolarHBondContact O-CB 3.46Å; M5-V9 WeakPolarHBondContact O-CG2 3.41Å; M5-V9 PolarHBondContact O-N 3.3Å |
| 6 | L | 73.1 | Confident | 70.8 | Confident | 108 Ų | 108 | 108.7 Ų | 108.7 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -45.7 | 176 | -163.6 | 119.6 | 0 | 0 | 0 | 111.5 | K2 F3 I4 F8 V9 V10 | K2-L6 PolarHBondContact O-N 3.5Å; K2-L6 VanDerWaalsContact O-N 3.11Å; F3-L6 WeakPolarHBondContact O-CB 3.43Å; F3-L6 PolarHBondContact O-N 3.07Å; F3-L6 VanDerWaalsContact O-N 3.15Å; I4-L6 PolarHBondContact O-N 2.9Å; L6-F8 PolarHBondContact O-N 2.94Å; L6-V9 PolarHBondContact O-N 3.16Å; L6-V10 WeakPolarHBondContact O-CB 3.39Å; L6-V10 VanDerWaalsContact O-CG2 3.24Å; L6-V10 WeakPolarHBondContact O-CG2 3.1Å; L6-V10 PolarHBondContact O-N 3.37Å |
| 7 | V | 75.3 | Confident | 70.6 | Confident | 57 Ų | 57 | 106.2 Ų | 106.2 | 35% | 0.345 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 176.1 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | F3 I4 V10 F11 | F3-V7 HydrophobicContact CD1-CG2 4.01Å; F3-V7 HydrophobicContact CE1-CG2 3.84Å; F3-V7 WeakPolarHBondContact O-CG2 3.24Å; F3-V7 PolarHBondContact O-N 3.04Å; I4-V7 PolarHBondContact O-N 2.82Å; V7-V10 PolarHBondContact O-N 3.18Å; V7-F11 WeakPolarHBondContact O-CB 3.5Å; V7-F11 PolarHBondContact O-N 2.91Å |
| 8 | F | 75.1 | Confident | 70.2 | Confident | 143 Ų | 143 | 104.1 Ų | 104.1 | 63% | 0.627 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.3 | -40.9 | 178.4 | -155.6 | -91.8 | 0 | 0 | 0 | 111.8 | I4 M5 L6 F11 V12 | I4-F8 WeakPolarHBondContact O-CB 3.17Å; I4-F8 PolarHBondContact O-N 3.07Å; M5-F8 PolarHBondContact O-N 3.25Å; L6-F8 PolarHBondContact O-N 2.94Å; F8-F11 PolarHBondContact O-N 3.42Å; F8-V12 HydrophobicContact CD1-CG2 3.98Å; F8-V12 HydrophobicContact CE1-CG2 3.92Å; F8-V12 WeakPolarHBondContact O-CB 3.29Å; F8-V12 VanDerWaalsContact O-CG2 3.28Å; F8-V12 WeakPolarHBondContact O-CG2 3.5Å; F8-V12 PolarHBondContact O-N 3.02Å |
| 9 | V | 76.3 | Confident | 69.6 | Low | 83 Ų | 83 | 107.1 Ų | 107.1 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -44 | 174.2 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | M5 L6 V12 L13 | M5-V9 WeakPolarHBondContact O-CB 3.46Å; M5-V9 WeakPolarHBondContact O-CG2 3.41Å; M5-V9 PolarHBondContact O-N 3.3Å; L6-V9 PolarHBondContact O-N 3.16Å; V9-V12 PolarHBondContact O-N 3.46Å; V9-L13 HydrophobicContact CG1-CD1 3.9Å; V9-L13 HydrophobicContact CG1-CG 4.44Å; V9-L13 WeakPolarHBondContact O-CB 3.33Å; V9-L13 VanDerWaalsContact O-CG 3.27Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.39Å |
| 10 | V | 78.9 | Confident | 69 | Low | 69 Ų | 69 | 105.4 Ų | 105.4 | 42% | 0.418 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 176.6 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L6 V7 L13 L14 | L6-V10 WeakPolarHBondContact O-CB 3.39Å; L6-V10 VanDerWaalsContact O-CG2 3.24Å; L6-V10 WeakPolarHBondContact O-CG2 3.1Å; L6-V10 PolarHBondContact O-N 3.37Å; V7-V10 PolarHBondContact O-N 3.18Å; V10-L13 PolarHBondContact O-N 3.09Å; V10-L14 HydrophobicContact CG1-CD1 3.79Å; V10-L14 HydrophobicContact CG1-CG 4.27Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 VanDerWaalsContact O-CG 3.27Å; V10-L14 WeakPolarHBondContact O-CG 3.39Å; V10-L14 PolarHBondContact O-N 3.3Å |
| 11 | F | 77 | Confident | 68.3 | Low | 105 Ų | 105 | 105.5 Ų | 105.5 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 176.5 | -176.6 | -96.1 | 0 | 0 | 0 | 112.3 | V7 F8 L14 T15 | V7-F11 WeakPolarHBondContact O-CB 3.5Å; V7-F11 PolarHBondContact O-N 2.91Å; F8-F11 PolarHBondContact O-N 3.42Å; F11-L14 PolarHBondContact O-N 2.93Å; F11-T15 HydrophobicContact CD1-CG2 4.28Å; F11-T15 HydrophobicContact CE1-CG2 3.86Å; F11-T15 HydrophobicContact CE2-CG2 4.32Å; F11-T15 HydrophobicContact CZ-CG2 3.88Å; F11-T15 WeakPolarHBondContact O-CB 3.48Å; F11-T15 WeakPolarHBondContact O-CG2 3.24Å; F11-T15 PolarHBondContact O-N 2.95Å; F11-T15 PolarHBondContact O-OG1 2.97Å |
| 12 | V | 77.9 | Confident | 68.3 | Low | 65 Ų | 65 | 106.1 Ų | 106.1 | 39% | 0.394 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 173.8 | 172 | 0 | 0 | 0 | 0 | 110.2 | F8 V9 L14 T15 Y16 | F8-V12 HydrophobicContact CD1-CG2 3.98Å; F8-V12 HydrophobicContact CE1-CG2 3.92Å; F8-V12 WeakPolarHBondContact O-CB 3.29Å; F8-V12 VanDerWaalsContact O-CG2 3.28Å; F8-V12 WeakPolarHBondContact O-CG2 3.5Å; F8-V12 PolarHBondContact O-N 3.02Å; V9-V12 PolarHBondContact O-N 3.46Å; V12-L14 PolarHBondContact O-N 2.78Å; V12-T15 WeakPolarHBondContact CA-OG1 3.43Å; V12-T15 PolarHBondContact O-N 3.38Å; V12-T15 PolarHBondContact O-OG1 3.2Å; V12-Y16 VanDerWaalsContact O-CB 3.28Å; V12-Y16 WeakPolarHBondContact O-CB 3.47Å; V12-Y16 PolarHBondContact O-N 3.24Å |
| 13 | L | 76.6 | Confident | 68 | Low | 104 Ų | 104 | 98.8 Ų | 98.8 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 177.1 | -72.9 | 170.5 | 0 | 0 | 0 | 112.1 | V9 V10 Y16 S17 | V9-L13 HydrophobicContact CG1-CD1 3.9Å; V9-L13 HydrophobicContact CG1-CG 4.44Å; V9-L13 WeakPolarHBondContact O-CB 3.33Å; V9-L13 VanDerWaalsContact O-CG 3.27Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.39Å; V10-L13 PolarHBondContact O-N 3.09Å; L13-Y16 PolarHBondContact O-N 3.34Å; L13-S17 WeakPolarHBondContact O-CB 3.24Å; L13-S17 PolarHBondContact O-N 2.99Å; L13-S17 PolarHBondContact O-OG 3.38Å |
| 14 | L | 74.7 | Confident | 67.3 | Low | 82 Ų | 82 | 96.1 Ų | 96.1 | 43% | 0.429 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 178.2 | -76.7 | 168.3 | 0 | 0 | 0 | 112.2 | V10 F11 V12 S17 T18 | V10-L14 HydrophobicContact CG1-CD1 3.79Å; V10-L14 HydrophobicContact CG1-CG 4.27Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 VanDerWaalsContact O-CG 3.27Å; V10-L14 WeakPolarHBondContact O-CG 3.39Å; V10-L14 PolarHBondContact O-N 3.3Å; F11-L14 PolarHBondContact O-N 2.93Å; V12-L14 PolarHBondContact O-N 2.78Å; L14-S17 PolarHBondContact O-N 3.3Å; L14-T18 WeakPolarHBondContact O-CB 3.41Å; L14-T18 PolarHBondContact O-N 3.45Å; L14-T18 PolarHBondContact O-OG1 2.77Å |
| 15 | T | 74.3 | Confident | 66.2 | Low | 64 Ų | 64 | 101 Ų | 101 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.3 | 47.2 | 0 | 0 | 0 | 0 | 111.2 | F11 V12 T18 F19 | F11-T15 HydrophobicContact CD1-CG2 4.28Å; F11-T15 HydrophobicContact CE1-CG2 3.86Å; F11-T15 HydrophobicContact CE2-CG2 4.32Å; F11-T15 HydrophobicContact CZ-CG2 3.88Å; F11-T15 WeakPolarHBondContact O-CB 3.48Å; F11-T15 WeakPolarHBondContact O-CG2 3.24Å; F11-T15 PolarHBondContact O-N 2.95Å; F11-T15 PolarHBondContact O-OG1 2.97Å; V12-T15 WeakPolarHBondContact CA-OG1 3.43Å; V12-T15 PolarHBondContact O-N 3.38Å; V12-T15 PolarHBondContact O-OG1 3.2Å; T15-T18 PolarHBondContact O-N 2.99Å; T15-F19 WeakPolarHBondContact O-CB 3.44Å; T15-F19 PolarHBondContact O-N 2.88Å |
| 16 | Y | 70 | Confident | 65 | Low | 157 Ų | 157 | 99 Ų | 99 | 62% | 0.616 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -44.2 | 175 | -137.2 | -93.1 | 0 | 0 | 0 | 111.9 | V12 L13 T18 F19 I20 | V12-Y16 VanDerWaalsContact O-CB 3.28Å; V12-Y16 WeakPolarHBondContact O-CB 3.47Å; V12-Y16 PolarHBondContact O-N 3.24Å; L13-Y16 PolarHBondContact O-N 3.34Å; Y16-T18 VanDerWaalsContact C-N 3.33Å; Y16-T18 PolarHBondContact O-N 3.18Å; Y16-F19 PolarHBondContact O-N 3.39Å; Y16-I20 HydrophobicContact CD1-CD1 3.62Å; Y16-I20 HydrophobicContact CD1-CG1 4.21Å; Y16-I20 HydrophobicContact CE1-CD1 3.98Å; Y16-I20 WeakPolarHBondContact O-CG1 3.41Å; Y16-I20 PolarHBondContact O-N 3Å |
| 17 | S | 67.3 | Low | 63.6 | Low | 66 Ų | 66 | 101.6 Ų | 101.6 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 174.4 | -64 | 0 | 0 | 0 | 0 | 112.2 | L13 L14 F19 N21 | L13-S17 WeakPolarHBondContact O-CB 3.24Å; L13-S17 PolarHBondContact O-N 2.99Å; L13-S17 PolarHBondContact O-OG 3.38Å; L14-S17 PolarHBondContact O-N 3.3Å; S17-F19 VanDerWaalsContact C-N 3.35Å; S17-N21 WeakPolarHBondContact O-CB 3.43Å; S17-N21 PolarHBondContact O-N 3.39Å |
| 18 | T | 63.6 | Low | 62 | Low | 68 Ų | 68 | 107.3 Ų | 107.3 | 42% | 0.417 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | 176.1 | -44.7 | 0 | 0 | 0 | 0 | 111 | L14 T15 Y16 K22 | L14-T18 WeakPolarHBondContact O-CB 3.41Å; L14-T18 PolarHBondContact O-N 3.45Å; L14-T18 PolarHBondContact O-OG1 2.77Å; T15-T18 PolarHBondContact O-N 2.99Å; Y16-T18 VanDerWaalsContact C-N 3.33Å; Y16-T18 PolarHBondContact O-N 3.18Å; T18-K22 WeakPolarHBondContact O-CB 3.48Å; T18-K22 PolarHBondContact O-N 2.86Å |
| 19 | F | 59.3 | Low | 60.3 | Low | 161 Ų | 161 | 108.9 Ų | 108.9 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.7 | -41.9 | 175.8 | -161.6 | -91.3 | 0 | 0 | 0 | 111.7 | T15 Y16 S17 K22 A23 | T15-F19 WeakPolarHBondContact O-CB 3.44Å; T15-F19 PolarHBondContact O-N 2.88Å; Y16-F19 PolarHBondContact O-N 3.39Å; S17-F19 VanDerWaalsContact C-N 3.35Å; F19-K22 PolarHBondContact O-N 3.47Å; F19-A23 WeakPolarHBondContact O-CB 3.21Å; F19-A23 PolarHBondContact O-N 2.8Å |
| 20 | I | 58.1 | Low | 58.3 | Low | 74 Ų | 74 | 111.8 Ų | 111.8 | 38% | 0.379 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.5 | -43.1 | 174.8 | -68.2 | 170.1 | 0 | 0 | 0 | 111 | Y16 K22 A23 N24 | Y16-I20 HydrophobicContact CD1-CD1 3.62Å; Y16-I20 HydrophobicContact CD1-CG1 4.21Å; Y16-I20 HydrophobicContact CE1-CD1 3.98Å; Y16-I20 WeakPolarHBondContact O-CG1 3.41Å; Y16-I20 PolarHBondContact O-N 3Å; I20-K22 VanDerWaalsContact C-N 3.28Å; I20-K22 PolarHBondContact O-N 3.48Å; I20-A23 PolarHBondContact O-N 3.44Å; I20-N24 WeakPolarHBondContact O-CB 3.3Å; I20-N24 VanDerWaalsContact O-CG 3.31Å; I20-N24 PolarHBondContact O-N 3.3Å |
| 21 | N | 53.9 | Low | 56.4 | Low | 107 Ų | 107 | 116.1 Ų | 116.1 | 57% | 0.572 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -64.3 | -33.7 | 175.3 | -86.1 | 7.3 | 0 | 0 | 0 | 112.4 | S17 H25 | S17-N21 WeakPolarHBondContact O-CB 3.43Å; S17-N21 PolarHBondContact O-N 3.39Å; N21-H25 PolarHBondContact O-CD2 3.3Å; N21-H25 PolarHBondContact O-N 2.87Å |
| 22 | K | 50.5 | Low | 54.9 | Low | 166 Ų | 166 | 119.7 Ų | 119.7 | 72% | 0.722 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71 | -36.3 | 174.1 | -165.5 | 170.4 | -176.9 | 178 | 0 | 111.5 | T18 F19 I20 T26 | T18-K22 WeakPolarHBondContact O-CB 3.48Å; T18-K22 PolarHBondContact O-N 2.86Å; F19-K22 PolarHBondContact O-N 3.47Å; I20-K22 VanDerWaalsContact C-N 3.28Å; I20-K22 PolarHBondContact O-N 3.48Å; K22-T26 PolarHBondContact O-OG1 3.45Å |
| 23 | A | 48.7 | Very low | 53.4 | Low | 42 Ų | 42 | 123.1 Ų | 123.1 | 35% | 0.347 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.4 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F19 I20 H25 T26 | F19-A23 WeakPolarHBondContact O-CB 3.21Å; F19-A23 PolarHBondContact O-N 2.8Å; I20-A23 PolarHBondContact O-N 3.44Å; A23-H25 VanDerWaalsContact C-N 3.27Å; A23-H25 PolarHBondContact O-N 2.84Å; A23-T26 PolarHBondContact O-N 2.96Å; A23-T26 VanDerWaalsContact O-N 3.13Å; A23-T26 PolarHBondContact O-OG1 3.14Å |
| 24 | N | 46.6 | Very low | 51.7 | Low | 100 Ų | 100 | 125.7 Ų | 125.7 | 54% | 0.535 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.9 | -16.1 | -179.2 | -70 | -5.9 | 0 | 0 | 0 | 114 | I20 | I20-N24 WeakPolarHBondContact O-CB 3.3Å; I20-N24 VanDerWaalsContact O-CG 3.31Å; I20-N24 PolarHBondContact O-N 3.3Å |
| 25 | H | 45.5 | Very low | 50.3 | Low | 154 Ų | 154 | 128.4 Ų | 128.4 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -6.4 | 171.7 | -91.5 | -61.6 | 0 | 0 | 0 | 113.8 | N21 A23 | N21-H25 PolarHBondContact O-CD2 3.3Å; N21-H25 PolarHBondContact O-N 2.87Å; A23-H25 VanDerWaalsContact C-N 3.27Å; A23-H25 PolarHBondContact O-N 2.84Å |
| 26 | T | 42.4 | Very low | 48.5 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 64% | 0.638 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -96.9 | -0.4 | 179.1 | 7.3 | 0 | 0 | 0 | 0 | 113.8 | K22 A23 | K22-T26 PolarHBondContact O-OG1 3.45Å; A23-T26 PolarHBondContact O-N 2.96Å; A23-T26 VanDerWaalsContact O-N 3.13Å; A23-T26 PolarHBondContact O-OG1 3.14Å |
| 27 | E | 43.2 | Very low | 47.3 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 76% | 0.757 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -105.6 | 4.5 | -178.3 | -70 | -169.2 | 165.1 | 0 | 0 | 114.2 | ||
| 28 | E | 42.3 | Very low | 46.1 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -110.2 | 5.5 | 176.6 | -83 | -174.9 | 164.2 | 0 | 0 | 115.2 | ||
| 29 | E | 39.6 | Very low | 44.9 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 72% | 0.716 | S | S | * | * | trans | -115.8 | 74.5 | 171.6 | -78.4 | -176.2 | 167.2 | 0 | 0 | 110.3 | ||||
| 30 | N | 35 | Very low | 44.1 | Very low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | trans | -136.8 | 76.3 | 165.3 | -95.5 | -30.5 | 0 | 0 | 0 | 107.3 | ||||
| 31 | D | 39.1 | Very low | 43.2 | Very low | 160 Ų | 160 | 148.3 Ų | 148.3 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -169.2 | 134.3 | 149.3 | -87.5 | -30.6 | 0 | 0 | 0 | 107.3 | ||
| 32 | E | 43.5 | Very low | 42.6 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 91.8 | 93.8 | 170.4 | -55.1 | -177.8 | 173.4 | 0 | 0 | 118.4 | ||
| 33 | D | 48.3 | Very low | 42 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | 77.2 | 98.5 | 131.1 | -61.9 | -22.7 | 0 | 0 | 0 | 121.8 | ||||
| 34 | I | 40.5 | Very low | 42 | Very low | 157 Ų | 157 | 155.1 Ų | 155.1 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | 42.9 | 105.5 | 117.5 | -54.8 | 165.3 | 0 | 0 | 0 | 116.2 | |||||
| 35 | D | 44.8 | Very low | 41.6 | Very low | 139 Ų | 139 | 158.6 Ų | 158.6 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | -171.1 | 122.9 | 105.3 | -159.4 | -2.5 | 0 | 0 | 0 | 110.8 | |||||
| 36 | Q | 36.7 | Very low | 41.6 | Very low | 197 Ų | 197 | 160 Ų | 160 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -93.4 | 96.3 | 173.4 | -77.5 | -177.9 | -14.8 | 0 | 0 | 108.7 | ||||
| 37 | S | 44.2 | Very low | 41.7 | Very low | 90 Ų | 90 | 164.5 Ų | 164.5 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | trans | -152.3 | 133.2 | 156.8 | 67.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 38 | K | 42.4 | Very low | 41.3 | Very low | 198 Ų | 198 | 165.2 Ų | 165.2 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | 95.2 | 89.1 | 165.2 | -61 | -177 | 177.4 | 179.9 | 0 | 118 | ||||
| 39 | N | 38 | Very low | 41.3 | Very low | 159 Ų | 159 | 164 Ų | 164 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -47.9 | 139.5 | 138.1 | -71 | -22.7 | 0 | 0 | 0 | 111.6 | ||||
| 40 | E | 43.9 | Very low | 41.2 | Very low | 180 Ų | 180 | 164 Ų | 164 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | 176.5 | 91.2 | 146 | -100.1 | 166.3 | -169.9 | 0 | 0 | 104.5 | ||||
| 41 | E | 39 | Very low | 41.6 | Very low | 185 Ų | 185 | 164.9 Ų | 164.9 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | 48.9 | 88.3 | 89.4 | -159.5 | 174.5 | -143.2 | 0 | 0 | 112.4 | |||||
| 42 | E | 40.1 | Very low | 41.5 | Very low | 148 Ų | 148 | 165.7 Ų | 165.7 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | -148.6 | 94.7 | 150.1 | -77.2 | -156.7 | 141.5 | 0 | 0 | 109.8 | K44 | E42-K44 PolarHBondContact O-N 2.92Å; E42-K44 IonicContact OE1-NZ 2.69Å; E42-K44 PolarHBondContact OE1-NZ 3.34Å; E42-K44 IonicContact OE2-NZ 2.71Å; E42-K44 PolarHBondContact OE2-NZ 3.41Å | ||
| 43 | D | 38.9 | Very low | 41.5 | Very low | 170 Ų | 170 | 164.4 Ų | 164.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -64.4 | 117.8 | 150.2 | -85.1 | -34.3 | 0 | 0 | 0 | 108 | ||||
| 44 | K | 47.7 | Very low | 41 | Very low | 140 Ų | 140 | 167 Ų | 167 | 61% | 0.609 | 82% | 0.815 | S | S | * | * | trans | -128.3 | 102.1 | 165.2 | -84.6 | 178.2 | -177.8 | 146.7 | 0 | 110.4 | E42 E46 | E42-K44 PolarHBondContact O-N 2.92Å; E42-K44 IonicContact OE1-NZ 2.69Å; E42-K44 PolarHBondContact OE1-NZ 3.34Å; E42-K44 IonicContact OE2-NZ 2.71Å; E42-K44 PolarHBondContact OE2-NZ 3.41Å; K44-E46 PolarHBondContact O-N 3.47Å | ||
| 45 | D | 38.6 | Very low | 41 | Very low | 172 Ų | 172 | 167.1 Ų | 167.1 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | trans | -54.7 | 113.8 | 154.8 | -77.5 | -42.8 | 0 | 0 | 0 | 109.6 | ||||
| 46 | E | 46.1 | Very low | 40.7 | Very low | 183 Ų | 183 | 169.2 Ų | 169.2 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | -111 | 101.2 | 162.3 | -78.3 | -166.9 | 168.9 | 0 | 0 | 110.8 | K44 | K44-E46 PolarHBondContact O-N 3.47Š| ||
| 47 | K | 44.7 | Very low | 41 | Very low | 200 Ų | 200 | 169 Ų | 169 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | trans | -21.4 | 139.6 | 158.6 | -87 | 171.2 | 166.8 | 174.1 | 0 | 116.5 | N49 | K47-N49 PolarHBondContact O-N 2.89Š| ||
| 48 | E | 34 | Very low | 40.8 | Very low | 176 Ų | 176 | 173.3 Ų | 173.3 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -35.7 | 129.9 | 149.7 | -71.9 | 169.4 | 144.4 | 0 | 0 | 112.5 | ||||
| 49 | N | 42.6 | Very low | 41 | Very low | 153 Ų | 153 | 171.1 Ų | 171.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -141.2 | 99.4 | 146.3 | -121 | 3.2 | 0 | 0 | 0 | 107.8 | K47 H51 | K47-N49 PolarHBondContact O-N 2.89Å; N49-H51 PolarHBondContact O-N 3.37Å | ||
| 50 | E | 36.6 | Very low | 40.9 | Very low | 177 Ų | 177 | 173.8 Ų | 173.8 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | trans | -62.7 | 117.5 | 158.7 | -66.7 | 178.8 | 154.4 | 0 | 0 | 107.2 | ||||
| 51 | H | 43.6 | Very low | 40.9 | Very low | 161 Ų | 161 | 171.7 Ų | 171.7 | 75% | 0.745 | 82% | 0.82 | S | S | * | * | trans | -135.2 | 106.6 | 156.9 | -117.6 | -66.7 | 0 | 0 | 0 | 108.6 | N49 | N49-H51 PolarHBondContact O-N 3.37Š| ||
| 52 | E | 36.7 | Very low | 40.9 | Very low | 177 Ų | 177 | 170 Ų | 170 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -53.4 | 129.5 | 154.2 | -62.5 | 175 | 154.8 | 0 | 0 | 108 | ||||
| 53 | D | 43.5 | Very low | 41.2 | Very low | 153 Ų | 153 | 171.2 Ų | 171.2 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -146.7 | 107 | 151.4 | -90.2 | -34.7 | 0 | 0 | 0 | 108.3 | ||||
| 54 | E | 38.1 | Very low | 41.3 | Very low | 191 Ų | 191 | 172.2 Ų | 172.2 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -60.8 | 126.9 | 162.2 | -61.9 | 175.5 | 149 | 0 | 0 | 108.7 | ||||
| 55 | N | 39.7 | Very low | 41 | Very low | 161 Ų | 161 | 170.2 Ų | 170.2 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | -152 | 115.3 | 145.7 | -143.5 | -3.6 | 0 | 0 | 0 | 111.8 | ||||
| 56 | E | 40 | Very low | 40.9 | Very low | 182 Ų | 182 | 172.1 Ų | 172.1 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -70.9 | 126.2 | 165 | -64 | 179.3 | 141.7 | 0 | 0 | 109 | ||||
| 57 | E | 42.7 | Very low | 40.7 | Very low | 194 Ų | 194 | 172.5 Ų | 172.5 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | trans | -157 | 145.9 | 134.3 | -128.8 | 177.2 | 163.5 | 0 | 0 | 114.7 | ||||
| 58 | K | 40.4 | Very low | 40.2 | Very low | 180 Ų | 180 | 172.7 Ų | 172.7 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | trans | -70.9 | 147.2 | -168.6 | -66.8 | 158 | 172.8 | 160.1 | 0 | 113.5 | ||||
| 59 | N | 45.1 | Very low | 40.3 | Very low | 152 Ų | 152 | 167.7 Ų | 167.7 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | 177.5 | 111.9 | 119.7 | -89.8 | -35.6 | 0 | 0 | 0 | 108.7 | |||||
| 60 | R | 37.4 | Very low | 39.9 | Very low | 215 Ų | 215 | 168 Ų | 168 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | 78 | 98.4 | 80.3 | -163.5 | -175.1 | -162.4 | -172.1 | 5.2 | 113.8 | |||||
| 61 | N | 43.6 | Very low | 40 | Very low | 135 Ų | 135 | 168.2 Ų | 168.2 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | 176 | 106 | 128.1 | -99.2 | -6 | 0 | 0 | 0 | 108.3 | |||||
| 62 | E | 38.4 | Very low | 39.7 | Very low | 149 Ų | 149 | 169.6 Ų | 169.6 | 70% | 0.696 | 83% | 0.834 | S | S | * | * | 50.4 | 94 | 96.3 | -79.5 | -162.3 | 143.8 | 0 | 0 | 114 | |||||
| 63 | N | 46.4 | Very low | 39.7 | Very low | 174 Ų | 174 | 169.4 Ų | 169.4 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | trans | -145.1 | 114.9 | 134.9 | -102.5 | -24.5 | 0 | 0 | 0 | 110.4 | ||||
| 64 | K | 40.4 | Very low | 39.1 | Very low | 191 Ų | 191 | 169.9 Ų | 169.9 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | trans | -77.1 | 119.4 | 173.7 | -75.2 | 166.7 | 176.7 | 153.4 | 0 | 108.5 | ||||
| 65 | A | 41.6 | Very low | 39.5 | Very low | 99 Ų | 99 | 165.2 Ų | 165.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -125.7 | 104.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 66 | K | 37.4 | Very low | 39.1 | Very low | 212 Ų | 212 | 162.5 Ų | 162.5 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | trans | -74.5 | 116.7 | 161.6 | -78.1 | 174.4 | 174.4 | 173.1 | 0 | 106.4 | ||||
| 67 | E | 41.6 | Very low | 39.1 | Very low | 190 Ų | 190 | 164.6 Ų | 164.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -140.8 | 125.4 | 149.1 | -155.8 | 161 | -162.3 | 0 | 0 | 109.9 | ||||
| 68 | K | 35.2 | Very low | 38.9 | Very low | 204 Ų | 204 | 164.5 Ų | 164.5 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | trans | -76 | 134.6 | -179 | -67.1 | 176.1 | 172.5 | -178.5 | 0 | 108.2 | ||||
| 69 | G | 35.1 | Very low | 38.8 | Very low | 72 Ų | 72 | 165.3 Ų | 165.3 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -156.2 | 71.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E71 | G69-E71 PolarHBondContact O-N 3.45Š| ||
| 70 | D | 33.8 | Very low | 38.7 | Very low | 158 Ų | 158 | 165.5 Ų | 165.5 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -67.1 | 91.1 | 168 | -74.7 | -44.3 | 0 | 0 | 0 | 109.4 | ||||
| 71 | E | 38.6 | Very low | 38.9 | Very low | 183 Ų | 183 | 164.2 Ų | 164.2 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -103.5 | 93.2 | 166 | -95.1 | -173.5 | 164.1 | 0 | 0 | 111.1 | G69 H73 | G69-E71 PolarHBondContact O-N 3.45Å; E71-H73 PolarHBondContact O-N 2.98Å | ||
| 72 | K | 38.9 | Very low | 38.9 | Very low | 189 Ų | 189 | 165.9 Ų | 165.9 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -64.7 | 103.8 | 168.5 | -66.7 | 176.7 | 179 | 177.8 | 0 | 109.9 | E74 | K72-E74 VanDerWaalsContact C-N 3.34Å; K72-E74 PolarHBondContact O-N 2.98Å; K72-E74 VanDerWaalsContact O-N 3.12Å | ||
| 73 | H | 35.5 | Very low | 39.2 | Very low | 174 Ų | 174 | 168.2 Ų | 168.2 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | trans | -83.6 | 78 | 168 | -120.5 | -82.5 | 0 | 0 | 0 | 110.5 | E71 V75 | E71-H73 PolarHBondContact O-N 2.98Å; H73-V75 PolarHBondContact O-N 2.85Å | ||
| 74 | E | 31.4 | Very low | 38.8 | Very low | 162 Ų | 162 | 163.7 Ų | 163.7 | 76% | 0.757 | 82% | 0.815 | S | S | * | * | trans | -87.6 | 92.9 | 172.3 | -163.8 | -179.7 | -176.6 | 0 | 0 | 109.7 | K72 V76 | K72-E74 VanDerWaalsContact C-N 3.34Å; K72-E74 PolarHBondContact O-N 2.98Å; K72-E74 VanDerWaalsContact O-N 3.12Å; E74-V76 HydrophobicContact CG-CG2 4.07Å; E74-V76 PolarHBondContact O-N 2.82Å | ||
| 75 | V | 47.3 | Very low | 38.9 | Very low | 94 Ų | 94 | 163.7 Ų | 163.7 | 57% | 0.57 | 82% | 0.815 | S | S | * | * | trans | -87.2 | 89.3 | 175 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | H73 W77 | H73-V75 PolarHBondContact O-N 2.85Å; V75-W77 VanDerWaalsContact CG1-NE1 3.31Å; V75-W77 PolarHBondContact O-N 2.69Å | ||
| 76 | V | 31.1 | Very low | 39 | Very low | 104 Ų | 104 | 165.5 Ų | 165.5 | 63% | 0.63 | 81% | 0.811 | S | S | * | * | trans | -73.1 | 104.3 | 171.3 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | E74 K78 | E74-V76 HydrophobicContact CG-CG2 4.07Å; E74-V76 PolarHBondContact O-N 2.82Å; V76-K78 PolarHBondContact O-N 2.91Å | ||
| 77 | W | 39.8 | Very low | 39.2 | Very low | 226 Ų | 226 | 163.8 Ų | 163.8 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -84.5 | 104.6 | 165.8 | -69.1 | 85.4 | 0 | 0 | 0 | 109.4 | V75 K79 | V75-W77 VanDerWaalsContact CG1-NE1 3.31Å; V75-W77 PolarHBondContact O-N 2.69Å; W77-K79 PolarHBondContact O-N 3.49Å; W77-K79 VanDerWaalsContact O-N 3.16Å | ||
| 78 | K | 37 | Very low | 39.4 | Very low | 191 Ų | 191 | 163.7 Ų | 163.7 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | trans | -55.7 | 116.7 | 169.9 | -76.3 | 179.9 | 177.8 | 175.6 | 0 | 109.6 | V76 | V76-K78 PolarHBondContact O-N 2.91Š| ||
| 79 | K | 40.3 | Very low | 39.7 | Very low | 198 Ų | 198 | 163.3 Ų | 163.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -97.5 | 95.7 | 175.3 | -164.6 | 175 | -174 | 172 | 0 | 107.9 | W77 K81 | W77-K79 PolarHBondContact O-N 3.49Å; W77-K79 VanDerWaalsContact O-N 3.16Å; K79-K81 PolarHBondContact O-N 2.87Å | ||
| 80 | D | 41.8 | Very low | 40.3 | Very low | 155 Ų | 155 | 167.2 Ų | 167.2 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -66.4 | 127.6 | 173.2 | -80.7 | -33.2 | 0 | 0 | 0 | 110.7 | ||||
| 81 | K | 41 | Very low | 40.7 | Very low | 189 Ų | 189 | 169.1 Ų | 169.1 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -75.8 | 123.1 | -177.4 | -68 | 173.7 | 177.3 | 170.4 | 0 | 109.5 | K79 | K79-K81 PolarHBondContact O-N 2.87Š| ||
| 82 | I | 45 | Very low | 40.8 | Very low | 170 Ų | 170 | 168.5 Ų | 168.5 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | trans | -121.6 | 112.3 | 149.5 | -61.5 | -179.5 | 0 | 0 | 0 | 108.6 | ||||
| 83 | K | 43.5 | Very low | 40.9 | Very low | 198 Ų | 198 | 167.6 Ų | 167.6 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -64.2 | 144.8 | 176 | -68.1 | 169.3 | 174.4 | 172.3 | 0 | 110.1 | ||||
| 84 | G | 38.3 | Very low | 41.1 | Very low | 79 Ų | 79 | 168.6 Ų | 168.6 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | 171 | 91.8 | 165 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 85 | K | 42.7 | Very low | 41.5 | Very low | 191 Ų | 191 | 169.3 Ų | 169.3 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | trans | -73.6 | 146.7 | -175.5 | -64.5 | 170.9 | 168.8 | 173.8 | 0 | 112.7 | ||||
| 86 | N | 44.9 | Very low | 41.1 | Very low | 136 Ų | 136 | 169 Ų | 169 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | 121.5 | 111.8 | 125.1 | -79.3 | -24.5 | 0 | 0 | 0 | 118.8 | |||||
| 87 | K | 41.1 | Very low | 41.8 | Very low | 177 Ų | 177 | 173.2 Ų | 173.2 | 77% | 0.77 | 82% | 0.824 | S | S | * | * | 65.9 | 122.2 | 126.3 | -88.7 | 177.7 | 175.9 | 170.8 | 0 | 121.3 | |||||
| 88 | K | 45.9 | Very low | 41.8 | Very low | 188 Ų | 188 | 169.5 Ų | 169.5 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | 103.6 | 112.8 | 132.1 | -80.7 | 179.1 | 174.5 | -177 | 0 | 117.5 | ||||
| 89 | K | 41 | Very low | 41.9 | Very low | 196 Ų | 196 | 169 Ų | 169 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | 27.4 | 120.3 | 137.7 | -91.3 | -179.8 | 169.8 | 177.2 | 0 | 117 | ||||
| 90 | D | 48.2 | Very low | 42.1 | Very low | 153 Ų | 153 | 166.8 Ų | 166.8 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -167.6 | 115.4 | 130.1 | -84 | -32.6 | 0 | 0 | 0 | 108.7 | ||||
| 91 | K | 42.7 | Very low | 42.1 | Very low | 198 Ų | 198 | 168.4 Ų | 168.4 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | 47.1 | 116.7 | 101.9 | -94.4 | -177.1 | 178.2 | 177.5 | 0 | 114.3 | |||||
| 92 | N | 39.9 | Very low | 42.2 | Very low | 170 Ų | 170 | 165 Ų | 165 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | 23 | 105.6 | 156 | -90 | -0.7 | 0 | 0 | 0 | 117.3 | ||||
| 93 | K | 40.9 | Very low | 42.1 | Very low | 171 Ų | 171 | 163 Ų | 163 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -154.2 | 97.1 | 143.6 | -150.6 | 164.4 | -178.2 | 176.3 | 0 | 110.5 | K95 | K93-K95 PolarHBondContact O-N 3.46Š| ||
| 94 | M | 40.4 | Very low | 41.8 | Very low | 195 Ų | 195 | 160.7 Ų | 160.7 | 96% | 0.961 | 81% | 0.81 | S | S | * | * | trans | -57.4 | 95.5 | 153 | -165.2 | 162.2 | 171.7 | 0 | 0 | 105.2 | S96 | M94-S96 PolarHBondContact O-N 3.33Š| ||
| 95 | K | 39.5 | Very low | 42 | Very low | 177 Ų | 177 | 161.3 Ų | 161.3 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -65.4 | 107.9 | -177.2 | -91.4 | -175.6 | 173.8 | -175.5 | 0 | 108.6 | K93 E97 | K93-K95 PolarHBondContact O-N 3.46Å; K95-E97 PolarHBondContact O-N 3.35Å | ||
| 96 | S | 37.9 | Very low | 42.1 | Very low | 88 Ų | 88 | 159.9 Ų | 159.9 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | trans | -48.1 | 120.7 | 150 | 51 | 0 | 0 | 0 | 0 | 110.3 | M94 | M94-S96 PolarHBondContact O-N 3.33Š| ||
| 97 | E | 45.9 | Very low | 42.2 | Very low | 191 Ų | 191 | 163.3 Ų | 163.3 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | -114.6 | 72.6 | 145.8 | -81.7 | 173.7 | -177.8 | 0 | 0 | 105.3 | K95 | K95-E97 PolarHBondContact O-N 3.35Š| ||
| 98 | N | 39.4 | Very low | 43.1 | Very low | 148 Ų | 148 | 156.7 Ų | 156.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -87.3 | 102.5 | 149.4 | -128.9 | 16.4 | 0 | 0 | 0 | 102.5 | ||||
| 99 | E | 40.1 | Very low | 44.1 | Very low | 180 Ų | 180 | 155.3 Ų | 155.3 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | 175.9 | 84.6 | 165.9 | -99.3 | 157 | -138.9 | 0 | 0 | 107.1 | ||||
| 100 | D | 44.2 | Very low | 45.6 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | -166.3 | 83.4 | 126.1 | -96.3 | -20.7 | 0 | 0 | 0 | 106.7 | T102 | D100-T102 PolarHBondContact O-N 2.97Š| |||
| 101 | E | 42.1 | Very low | 46.7 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -59.4 | 90.7 | 154.1 | -70.2 | -177.3 | 162.7 | 0 | 0 | 107.9 | ||||
| 102 | T | 42.1 | Very low | 48.2 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -124.3 | 82 | 152.7 | 38.6 | 0 | 0 | 0 | 0 | 107.1 | D100 D104 | D100-T102 PolarHBondContact O-N 2.97Å; T102-D104 PolarHBondContact O-N 3.42Å | ||
| 103 | V | 43.8 | Very low | 49.9 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -56.1 | 106.3 | 153.3 | -179.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 104 | D | 37 | Very low | 51.6 | Low | 149 Ų | 149 | 145.1 Ų | 145.1 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | 149.6 | 94 | 154.8 | -81.3 | -22.5 | 0 | 0 | 0 | 109 | T102 | T102-D104 PolarHBondContact O-N 3.42Š| ||
| 105 | S | 42.1 | Very low | 53.3 | Low | 91 Ų | 91 | 140.2 Ų | 140.2 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | 172.2 | 130.6 | 107.8 | 91.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 106 | E | 45.4 | Very low | 55 | Low | 162 Ų | 162 | 135.8 Ų | 135.8 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | trans | 71.6 | 100.4 | 135.6 | -63.3 | 158.7 | 162.5 | 0 | 0 | 118.2 | G108 | E106-G108 PolarHBondContact O-N 2.85Š| ||
| 107 | H | 45.8 | Very low | 57 | Low | 207 Ų | 207 | 137.8 Ų | 137.8 | 96% | 0.958 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -7.3 | 94.9 | 138.5 | -78.1 | 73.4 | 0 | 0 | 0 | 113.9 | ||
| 108 | G | 60.7 | Low | 58.5 | Low | 38 Ų | 38 | 136 Ų | 136 | 39% | 0.392 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -173.7 | 158.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E106 K110 V111 | E106-G108 PolarHBondContact O-N 2.85Å; G108-K110 PolarHBondContact O-N 3.41Å; G108-V111 PolarHBondContact O-N 3.39Å |
| 109 | M | 68.2 | Low | 60.2 | Low | 159 Ų | 159 | 132 Ų | 132 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -49.1 | -20 | -176.4 | -167 | 143.7 | 65.8 | 0 | 0 | 114.8 | V111 I112 Y113 | M109-V111 PolarHBondContact O-N 2.97Å; M109-I112 PolarHBondContact O-N 2.82Å; M109-Y113 WeakPolarHBondContact O-CB 3.41Å; M109-Y113 PolarHBondContact O-N 3.32Å |
| 110 | K | 71.9 | Confident | 61.7 | Low | 177 Ų | 177 | 129.5 Ų | 129.5 | 77% | 0.77 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -60.3 | -37 | 172.7 | -79 | -179.1 | 179.9 | 172.4 | 0 | 113.6 | G108 Y113 K114 | G108-K110 PolarHBondContact O-N 3.41Å; K110-Y113 PolarHBondContact O-N 3.46Å; K110-K114 WeakPolarHBondContact O-CG 3.33Å; K110-K114 PolarHBondContact O-N 3.38Å |
| 111 | V | 71.1 | Confident | 63.2 | Low | 89 Ų | 89 | 129.2 Ų | 129.2 | 54% | 0.539 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.9 | -45.1 | 177.9 | -179.6 | 0 | 0 | 0 | 0 | 110 | G108 M109 Y113 K114 V115 | G108-V111 PolarHBondContact O-N 3.39Å; M109-V111 PolarHBondContact O-N 2.97Å; V111-Y113 VanDerWaalsContact C-N 3.3Å; V111-Y113 PolarHBondContact O-N 2.82Å; V111-K114 PolarHBondContact O-N 3.26Å; V111-K114 VanDerWaalsContact O-N 3.14Å; V111-V115 WeakPolarHBondContact O-CG2 3.29Å; V111-V115 PolarHBondContact O-N 3.5Å |
| 112 | I | 74.7 | Confident | 64.9 | Low | 117 Ų | 117 | 124 Ų | 124 | 60% | 0.6 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -57.6 | -46.8 | 175 | -57.2 | 174.4 | 0 | 0 | 0 | 109.7 | M109 K114 V115 L116 | M109-I112 PolarHBondContact O-N 2.82Å; I112-K114 PolarHBondContact O-N 2.82Å; I112-V115 PolarHBondContact O-N 3.37Å; I112-L116 VanDerWaalsContact O-CB 3.24Å; I112-L116 WeakPolarHBondContact O-CB 3.36Å; I112-L116 PolarHBondContact O-N 3.34Å |
| 113 | Y | 74 | Confident | 66.3 | Low | 143 Ų | 143 | 119.7 Ų | 119.7 | 56% | 0.561 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61.5 | -41.5 | 176.4 | -178.8 | -96.6 | 0 | 0 | 0 | 112.8 | M109 K110 V111 L116 K117 | M109-Y113 WeakPolarHBondContact O-CB 3.41Å; M109-Y113 PolarHBondContact O-N 3.32Å; K110-Y113 PolarHBondContact O-N 3.46Å; V111-Y113 VanDerWaalsContact C-N 3.3Å; V111-Y113 PolarHBondContact O-N 2.82Å; Y113-L116 PolarHBondContact O-N 2.94Å; Y113-K117 HydrophobicContact CE1-CD 3.98Å; Y113-K117 WeakPolarHBondContact O-CB 3.3Å; Y113-K117 PolarHBondContact O-N 3.23Å |
| 114 | K | 76.9 | Confident | 67.5 | Low | 148 Ų | 148 | 121.2 Ų | 121.2 | 64% | 0.643 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62 | -45.1 | 176 | -82 | -178.5 | -179.1 | 177.6 | 0 | 111.5 | K110 V111 I112 K117 K118 | K110-K114 WeakPolarHBondContact O-CG 3.33Å; K110-K114 PolarHBondContact O-N 3.38Å; V111-K114 PolarHBondContact O-N 3.26Å; V111-K114 VanDerWaalsContact O-N 3.14Å; I112-K114 PolarHBondContact O-N 2.82Å; K114-K117 PolarHBondContact O-N 3.47Å; K114-K118 WeakPolarHBondContact O-CB 3.18Å; K114-K118 WeakPolarHBondContact O-CG 3.35Å; K114-K118 PolarHBondContact O-N 2.88Å |
| 115 | V | 76.8 | Confident | 69.1 | Low | 92 Ų | 92 | 119.5 Ų | 119.5 | 56% | 0.558 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.4 | -46.3 | 177.6 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | V111 I112 K117 K118 S119 | V111-V115 WeakPolarHBondContact O-CG2 3.29Å; V111-V115 PolarHBondContact O-N 3.5Å; I112-V115 PolarHBondContact O-N 3.37Å; V115-K117 PolarHBondContact O-N 3.46Å; V115-K118 PolarHBondContact O-N 3.43Å; V115-S119 PolarHBondContact O-N 2.91Å; V115-S119 PolarHBondContact O-OG 3.03Å |
| 116 | L | 74.4 | Confident | 70.7 | Confident | 85 Ų | 85 | 122 Ų | 122 | 45% | 0.445 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.9 | -44.8 | 177.3 | -167.7 | 63.3 | 0 | 0 | 0 | 111.3 | I112 Y113 K118 S119 F120 | I112-L116 VanDerWaalsContact O-CB 3.24Å; I112-L116 WeakPolarHBondContact O-CB 3.36Å; I112-L116 PolarHBondContact O-N 3.34Å; Y113-L116 PolarHBondContact O-N 2.94Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 2.83Å; L116-S119 WeakPolarHBondContact CA-OG 3.24Å; L116-S119 PolarHBondContact O-N 3.32Å; L116-S119 PolarHBondContact O-OG 3.41Å; L116-F120 HydrophobicContact CD1-CD2 3.96Å; L116-F120 HydrophobicContact CD1-CE2 3.64Å; L116-F120 HydrophobicContact CD2-CE2 4.21Å; L116-F120 HydrophobicContact CG-CD2 3.77Å; L116-F120 HydrophobicContact CG-CE2 3.67Å; L116-F120 WeakPolarHBondContact O-CB 3.2Å; L116-F120 VanDerWaalsContact O-CD2 3.24Å; L116-F120 WeakPolarHBondContact O-CD2 3.45Å; L116-F120 PolarHBondContact O-N 3.26Å |
| 117 | K | 79.4 | Confident | 71.6 | Confident | 129 Ų | 129 | 120.2 Ų | 120.2 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.7 | -40.2 | 176.1 | -173.4 | 174.5 | -179 | 176.8 | 0 | 111.9 | Y113 K114 V115 K121 | Y113-K117 HydrophobicContact CE1-CD 3.98Å; Y113-K117 WeakPolarHBondContact O-CB 3.3Å; Y113-K117 PolarHBondContact O-N 3.23Å; K114-K117 PolarHBondContact O-N 3.47Å; V115-K117 PolarHBondContact O-N 3.46Å; K117-K121 WeakPolarHBondContact O-CB 3.46Å; K117-K121 PolarHBondContact O-N 2.87Å |
| 118 | K | 79.4 | Confident | 72.5 | Confident | 155 Ų | 155 | 113.8 Ų | 113.8 | 67% | 0.674 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.4 | -42.8 | 175.9 | -76.9 | -178.2 | 178.3 | -177.1 | 0 | 111.9 | K114 V115 L116 K121 T122 | K114-K118 WeakPolarHBondContact O-CB 3.18Å; K114-K118 WeakPolarHBondContact O-CG 3.35Å; K114-K118 PolarHBondContact O-N 2.88Å; V115-K118 PolarHBondContact O-N 3.43Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 2.83Å; K118-K121 PolarHBondContact O-N 3.4Å; K118-T122 WeakPolarHBondContact O-CB 3.45Å; K118-T122 PolarHBondContact O-N 2.9Å; K118-T122 PolarHBondContact O-OG1 3.15Å |
| 119 | S | 73.4 | Confident | 73.1 | Confident | 64 Ų | 64 | 118 Ų | 118 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.4 | -42.8 | 177.1 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | V115 L116 K121 T122 G123 | V115-S119 PolarHBondContact O-N 2.91Å; V115-S119 PolarHBondContact O-OG 3.03Å; L116-S119 WeakPolarHBondContact CA-OG 3.24Å; L116-S119 PolarHBondContact O-N 3.32Å; L116-S119 PolarHBondContact O-OG 3.41Å; S119-K121 PolarHBondContact O-N 3.26Å; S119-T122 PolarHBondContact O-N 2.89Å; S119-G123 PolarHBondContact O-N 3.33Å |
| 120 | F | 71.3 | Confident | 73.3 | Confident | 127 Ų | 127 | 114 Ų | 114 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.1 | -42 | 172.9 | -91 | -73.4 | 0 | 0 | 0 | 112.8 | L116 R124 | L116-F120 HydrophobicContact CD1-CD2 3.96Å; L116-F120 HydrophobicContact CD1-CE2 3.64Å; L116-F120 HydrophobicContact CD2-CE2 4.21Å; L116-F120 HydrophobicContact CG-CD2 3.77Å; L116-F120 HydrophobicContact CG-CE2 3.67Å; L116-F120 WeakPolarHBondContact O-CB 3.2Å; L116-F120 VanDerWaalsContact O-CD2 3.24Å; L116-F120 WeakPolarHBondContact O-CD2 3.45Å; L116-F120 PolarHBondContact O-N 3.26Å; F120-R124 VanDerWaalsContact O-CB 3.29Å; F120-R124 WeakPolarHBondContact O-CB 3.42Å; F120-R124 WeakPolarHBondContact O-CG 3.38Å; F120-R124 PolarHBondContact O-N 3.11Å |
| 121 | K | 76.5 | Confident | 73 | Confident | 146 Ų | 146 | 109.5 Ų | 109.5 | 64% | 0.635 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 177.4 | -169.3 | 177.4 | -179.3 | -177.3 | 0 | 111.1 | K117 K118 S119 M125 | K117-K121 WeakPolarHBondContact O-CB 3.46Å; K117-K121 PolarHBondContact O-N 2.87Å; K118-K121 PolarHBondContact O-N 3.4Å; S119-K121 PolarHBondContact O-N 3.26Å; K121-M125 WeakPolarHBondContact O-CB 3.31Å; K121-M125 PolarHBondContact O-N 3.27Å |
| 122 | T | 78 | Confident | 72.8 | Confident | 78 Ų | 78 | 108 Ų | 108 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.4 | -44.3 | 179.4 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | K118 S119 M125 K126 | K118-T122 WeakPolarHBondContact O-CB 3.45Å; K118-T122 PolarHBondContact O-N 2.9Å; K118-T122 PolarHBondContact O-OG1 3.15Å; S119-T122 PolarHBondContact O-N 2.89Å; T122-M125 PolarHBondContact O-N 3.32Å; T122-K126 PolarHBondContact O-N 3.45Å |
| 123 | G | 70.5 | Confident | 72.5 | Confident | 29 Ų | 29 | 106.6 Ų | 106.6 | 30% | 0.299 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S119 M125 K126 M127 | S119-G123 PolarHBondContact O-N 3.33Å; G123-M125 VanDerWaalsContact C-N 3.33Å; G123-M125 PolarHBondContact O-N 2.93Å; G123-K126 PolarHBondContact O-N 3.08Å; G123-M127 WeakPolarHBondContact O-CG 3.4Å; G123-M127 PolarHBondContact O-N 3.03Å |
| 124 | R | 69.7 | Low | 71.9 | Confident | 160 Ų | 160 | 106.3 Ų | 106.3 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.5 | -43 | 174.6 | -78.1 | -169.7 | -64.6 | 161.7 | -3.9 | 112.3 | F120 K126 M127 C128 | F120-R124 VanDerWaalsContact O-CB 3.29Å; F120-R124 WeakPolarHBondContact O-CB 3.42Å; F120-R124 WeakPolarHBondContact O-CG 3.38Å; F120-R124 PolarHBondContact O-N 3.11Å; R124-K126 VanDerWaalsContact C-N 3.35Å; R124-K126 PolarHBondContact O-N 3.45Å; R124-M127 PolarHBondContact O-N 3.46Å; R124-C128 WeakPolarHBondContact O-CB 3.38Å; R124-C128 PolarHBondContact O-N 2.83Å; R124-C128 PolarHBondContact O-SG 3.46Å |
| 125 | M | 70.6 | Confident | 71.1 | Confident | 114 Ų | 114 | 102 Ų | 102 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -39.1 | 179.6 | -172.4 | 167.9 | 172.6 | 0 | 0 | 112.3 | K121 T122 G123 K129 | K121-M125 WeakPolarHBondContact O-CB 3.31Å; K121-M125 PolarHBondContact O-N 3.27Å; T122-M125 PolarHBondContact O-N 3.32Å; G123-M125 VanDerWaalsContact C-N 3.33Å; G123-M125 PolarHBondContact O-N 2.93Å; M125-K129 WeakPolarHBondContact O-CG 3.45Å; M125-K129 PolarHBondContact O-N 2.87Å; M125-K129 VanDerWaalsContact O-N 3.09Å |
| 126 | K | 74.9 | Confident | 70.4 | Confident | 142 Ų | 142 | 106.7 Ų | 106.7 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -48 | 172.7 | -72.6 | -176.6 | 179.3 | -176.5 | 0 | 111.3 | T122 G123 R124 C128 K129 T130 | T122-K126 PolarHBondContact O-N 3.45Å; G123-K126 PolarHBondContact O-N 3.08Å; R124-K126 VanDerWaalsContact C-N 3.35Å; R124-K126 PolarHBondContact O-N 3.45Å; K126-C128 PolarHBondContact O-N 3.31Å; K126-K129 PolarHBondContact O-N 3.42Å; K126-T130 PolarHBondContact O-N 2.88Å; K126-T130 PolarHBondContact O-OG1 3.39Å; K126-T130 VanDerWaalsContact O-OG1 3.07Å |
| 127 | M | 65.7 | Low | 69.9 | Low | 126 Ų | 126 | 108.5 Ų | 108.5 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -57.1 | -47.3 | 176.4 | -74.5 | 176.9 | 173.2 | 0 | 0 | 111.7 | G123 R124 K129 T130 I131 | G123-M127 WeakPolarHBondContact O-CG 3.4Å; G123-M127 PolarHBondContact O-N 3.03Å; R124-M127 PolarHBondContact O-N 3.46Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 3.1Å; M127-T130 PolarHBondContact O-N 3.34Å; M127-I131 VanDerWaalsContact O-CB 3.29Å; M127-I131 WeakPolarHBondContact O-CB 3.49Å; M127-I131 WeakPolarHBondContact O-CD1 3.35Å; M127-I131 WeakPolarHBondContact O-CG1 3.29Å; M127-I131 PolarHBondContact O-N 2.9Å |
| 128 | C | 64 | Low | 69 | Low | 71 Ų | 71 | 109.6 Ų | 109.6 | 48% | 0.48 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 177.6 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | R124 K126 D132 | R124-C128 WeakPolarHBondContact O-CB 3.38Å; R124-C128 PolarHBondContact O-N 2.83Å; R124-C128 PolarHBondContact O-SG 3.46Å; K126-C128 PolarHBondContact O-N 3.31Å; C128-D132 WeakPolarHBondContact O-CB 3.39Å; C128-D132 PolarHBondContact O-N 3.37Å |
| 129 | K | 73.3 | Confident | 68.6 | Low | 128 Ų | 128 | 106 Ų | 106 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 175.4 | -76.3 | -178.5 | 176.8 | -172.9 | 0 | 112.1 | M125 K126 M127 D132 T133 | M125-K129 WeakPolarHBondContact O-CG 3.45Å; M125-K129 PolarHBondContact O-N 2.87Å; M125-K129 VanDerWaalsContact O-N 3.09Å; K126-K129 PolarHBondContact O-N 3.42Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 3.1Å; K129-D132 PolarHBondContact O-N 3.27Å; K129-T133 WeakPolarHBondContact O-CB 3.24Å; K129-T133 PolarHBondContact O-N 2.83Å; K129-T133 PolarHBondContact O-OG1 2.9Å |
| 130 | T | 72.2 | Confident | 68.4 | Low | 75 Ų | 75 | 105.2 Ų | 105.2 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 177.4 | -58 | 0 | 0 | 0 | 0 | 110.1 | K126 M127 D132 T133 Y134 | K126-T130 PolarHBondContact O-N 2.88Å; K126-T130 PolarHBondContact O-OG1 3.39Å; K126-T130 VanDerWaalsContact O-OG1 3.07Å; M127-T130 PolarHBondContact O-N 3.34Å; T130-D132 PolarHBondContact O-N 2.84Å; T130-T133 WeakPolarHBondContact O-CB 3.45Å; T130-T133 PolarHBondContact O-N 3.35Å; T130-T133 VanDerWaalsContact O-N 3.16Å; T130-Y134 HydrophobicContact CG2-CD2 3.84Å; T130-Y134 HydrophobicContact CG2-CE2 3.49Å; T130-Y134 VanDerWaalsContact CG2-CE2 3.49Å; T130-Y134 WeakPolarHBondContact O-CD2 3.17Å; T130-Y134 PolarHBondContact O-N 3.37Å |
| 131 | I | 65.7 | Low | 68.3 | Low | 81 Ų | 81 | 104.5 Ų | 104.5 | 42% | 0.415 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 174.9 | -70.2 | 168 | 0 | 0 | 0 | 110.2 | M127 T133 Y134 F135 | M127-I131 VanDerWaalsContact O-CB 3.29Å; M127-I131 WeakPolarHBondContact O-CB 3.49Å; M127-I131 WeakPolarHBondContact O-CD1 3.35Å; M127-I131 WeakPolarHBondContact O-CG1 3.29Å; M127-I131 PolarHBondContact O-N 2.9Å; I131-T133 VanDerWaalsContact C-N 3.27Å; I131-T133 PolarHBondContact O-N 3.42Å; I131-Y134 CarbonylContact O-C 3.59Å; I131-Y134 PolarHBondContact O-N 2.88Å; I131-Y134 VanDerWaalsContact O-N 3.07Å; I131-F135 HydrophobicContact CG2-CD2 3.39Å; I131-F135 HydrophobicContact CG2-CE2 3.5Å; I131-F135 VanDerWaalsContact O-CD2 3.3Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 2.81Å |
| 132 | D | 66.3 | Low | 68.3 | Low | 58 Ų | 58 | 104 Ų | 104 | 31% | 0.31 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -37.1 | 178.1 | -165.1 | 62.1 | 0 | 0 | 0 | 112.3 | C128 K129 T130 Y134 F135 R136 | C128-D132 WeakPolarHBondContact O-CB 3.39Å; C128-D132 PolarHBondContact O-N 3.37Å; K129-D132 PolarHBondContact O-N 3.27Å; T130-D132 PolarHBondContact O-N 2.84Å; D132-Y134 VanDerWaalsContact C-N 3.35Å; D132-F135 PolarHBondContact O-N 2.94Å; D132-R136 WeakPolarHBondContact O-CG 3.35Å; D132-R136 PolarHBondContact O-N 2.93Å; D132-R136 IonicContact OD2-CZ 2.82Å; D132-R136 IonicContact OD2-NE 3.96Å; D132-R136 PolarHBondContact OD2-NE 3.45Å; D132-R136 IonicContact OD2-NH2 3.97Å |
| 133 | T | 70.1 | Confident | 68.3 | Low | 88 Ų | 88 | 105.6 Ų | 105.6 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 176.1 | -51.8 | 0 | 0 | 0 | 0 | 111.7 | K129 T130 I131 | K129-T133 WeakPolarHBondContact O-CB 3.24Å; K129-T133 PolarHBondContact O-N 2.83Å; K129-T133 PolarHBondContact O-OG1 2.9Å; T130-T133 WeakPolarHBondContact O-CB 3.45Å; T130-T133 PolarHBondContact O-N 3.35Å; T130-T133 VanDerWaalsContact O-N 3.16Å; I131-T133 VanDerWaalsContact C-N 3.27Å; I131-T133 PolarHBondContact O-N 3.42Å |
| 134 | Y | 60.9 | Low | 68.6 | Low | 137 Ų | 137 | 107.4 Ų | 107.4 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.3 | -34.4 | 174 | -74 | -70.4 | 0 | 0 | 0 | 112.5 | T130 I131 D132 R136 K137 | T130-Y134 HydrophobicContact CG2-CD2 3.84Å; T130-Y134 HydrophobicContact CG2-CE2 3.49Å; T130-Y134 VanDerWaalsContact CG2-CE2 3.49Å; T130-Y134 WeakPolarHBondContact O-CD2 3.17Å; T130-Y134 PolarHBondContact O-N 3.37Å; I131-Y134 CarbonylContact O-C 3.59Å; I131-Y134 PolarHBondContact O-N 2.88Å; I131-Y134 VanDerWaalsContact O-N 3.07Å; D132-Y134 VanDerWaalsContact C-N 3.35Å; Y134-R136 VanDerWaalsContact C-N 3.35Å; Y134-K137 PolarHBondContact O-N 2.87Å |
| 135 | F | 60.1 | Low | 69 | Low | 58 Ų | 58 | 104.5 Ų | 104.5 | 25% | 0.254 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -29.6 | 175.6 | -93.5 | -74.3 | 0 | 0 | 0 | 113.7 | I4 I131 D132 K137 L140 | I4-F135 HydrophobicContact CB-CZ 4.11Å; I4-F135 HydrophobicContact CD1-CD1 3.93Å; I4-F135 HydrophobicContact CD1-CE1 3.12Å; I4-F135 HydrophobicContact CD1-CE2 4.41Å; I4-F135 HydrophobicContact CD1-CZ 3.45Å; I4-F135 VanDerWaalsContact CD1-CZ 3.45Å; I4-F135 HydrophobicContact CG1-CE1 3.58Å; I4-F135 HydrophobicContact CG1-CZ 3.61Å; I4-F135 HydrophobicContact CG2-CE1 4.47Å; I4-F135 HydrophobicContact CG2-CE2 4.38Å; I4-F135 HydrophobicContact CG2-CZ 3.63Å; I131-F135 HydrophobicContact CG2-CD2 3.39Å; I131-F135 HydrophobicContact CG2-CE2 3.5Å; I131-F135 VanDerWaalsContact O-CD2 3.3Å; I131-F135 WeakPolarHBondContact O-CD2 3.38Å; I131-F135 PolarHBondContact O-N 2.81Å; D132-F135 PolarHBondContact O-N 2.94Å; F135-K137 VanDerWaalsContact C-N 3.25Å; F135-K137 PolarHBondContact O-N 3.44Å; F135-L140 HydrophobicContact CB-CD2 4.4Å; F135-L140 HydrophobicContact CD1-CD2 3.43Å; F135-L140 VanDerWaalsContact CD1-CD2 3.43Å; F135-L140 HydrophobicContact CD2-CD2 4.26Å; F135-L140 HydrophobicContact CE1-CD2 3.41Å; F135-L140 VanDerWaalsContact CE1-CD2 3.41Å; F135-L140 HydrophobicContact CE2-CD2 4.28Å; F135-L140 HydrophobicContact CG-CD2 3.82Å; F135-L140 HydrophobicContact CZ-CD2 3.84Å |
| 136 | R | 62.2 | Low | 69.4 | Low | 189 Ų | 189 | 102.1 Ų | 102.1 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -6.4 | 176.9 | -79.1 | -180 | -177.3 | -144 | -4.2 | 114.6 | D132 Y134 D138 | D132-R136 WeakPolarHBondContact O-CG 3.35Å; D132-R136 PolarHBondContact O-N 2.93Å; D132-R136 IonicContact OD2-CZ 2.82Å; D132-R136 IonicContact OD2-NE 3.96Å; D132-R136 PolarHBondContact OD2-NE 3.45Å; D132-R136 IonicContact OD2-NH2 3.97Å; Y134-R136 VanDerWaalsContact C-N 3.35Å; R136-D138 PolarHBondContact O-N 2.64Å |
| 137 | K | 63.1 | Low | 69.7 | Low | 123 Ų | 123 | 99.5 Ų | 99.5 | 54% | 0.535 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -78.8 | 110 | 171.2 | -65 | -177.9 | -179.6 | -176.5 | 0 | 106.5 | Y134 F135 D139 L140 | Y134-K137 PolarHBondContact O-N 2.87Å; F135-K137 VanDerWaalsContact C-N 3.25Å; F135-K137 PolarHBondContact O-N 3.44Å; K137-D139 PolarHBondContact O-N 3.49Å; K137-L140 WeakPolarHBondContact O-CB 3.41Å; K137-L140 PolarHBondContact O-N 2.87Å |
| 138 | D | 60.7 | Low | 70.2 | Confident | 152 Ų | 152 | 95.6 Ų | 95.6 | 81% | 0.813 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -19 | -178.9 | -67.2 | -45.1 | 0 | 0 | 0 | 113.9 | R136 L140 | R136-D138 PolarHBondContact O-N 2.64Å; D138-L140 VanDerWaalsContact C-N 3.31Å; D138-L140 PolarHBondContact O-N 3.42Å |
| 139 | D | 71.6 | Confident | 71.1 | Confident | 81 Ų | 81 | 97.3 Ų | 97.3 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.6 | -21.7 | 174.5 | -168 | 34.6 | 0 | 0 | 0 | 114 | K137 K142 K143 | K137-D139 PolarHBondContact O-N 3.49Å; D139-K142 PolarHBondContact O-N 2.9Å; D139-K143 WeakPolarHBondContact O-CB 3.27Å; D139-K143 WeakPolarHBondContact O-CG 3.36Å; D139-K143 PolarHBondContact O-N 2.99Å; D139-K143 VanDerWaalsContact OD2-CE 3.24Å; D139-K143 WeakPolarHBondContact OD2-CE 3.27Å; D139-K143 IonicContact OD2-NZ 3.35Å; D139-K143 PolarHBondContact OD2-NZ 3.25Å |
| 140 | L | 68.3 | Low | 71.5 | Confident | 46 Ų | 46 | 96.8 Ų | 96.8 | 24% | 0.241 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -69.2 | -41.3 | -178.3 | -166 | 75.4 | 0 | 0 | 0 | 111.8 | F135 K137 D138 K142 K143 M144 | F135-L140 HydrophobicContact CB-CD2 4.4Å; F135-L140 HydrophobicContact CD1-CD2 3.43Å; F135-L140 VanDerWaalsContact CD1-CD2 3.43Å; F135-L140 HydrophobicContact CD2-CD2 4.26Å; F135-L140 HydrophobicContact CE1-CD2 3.41Å; F135-L140 VanDerWaalsContact CE1-CD2 3.41Å; F135-L140 HydrophobicContact CE2-CD2 4.28Å; F135-L140 HydrophobicContact CG-CD2 3.82Å; F135-L140 HydrophobicContact CZ-CD2 3.84Å; K137-L140 WeakPolarHBondContact O-CB 3.41Å; K137-L140 PolarHBondContact O-N 2.87Å; D138-L140 VanDerWaalsContact C-N 3.31Å; D138-L140 PolarHBondContact O-N 3.42Å; L140-K142 VanDerWaalsContact C-N 3.3Å; L140-K142 PolarHBondContact O-N 3.18Å; L140-K143 PolarHBondContact O-N 2.93Å; L140-M144 HydrophobicContact CG-CG 4.33Å; L140-M144 WeakPolarHBondContact O-CB 3.49Å; L140-M144 WeakPolarHBondContact O-CG 3.28Å; L140-M144 PolarHBondContact O-N 3.46Å |
| 141 | D | 70.2 | Confident | 71.9 | Confident | 113 Ų | 113 | 96 Ų | 96 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.6 | -38.6 | 177.2 | -79.8 | -12.8 | 0 | 0 | 0 | 110.9 | M144 L145 | D141-M144 PolarHBondContact O-N 3.29Å; D141-L145 VanDerWaalsContact O-CB 3.3Å; D141-L145 WeakPolarHBondContact O-CB 3.42Å; D141-L145 PolarHBondContact O-N 2.86Å |
| 142 | K | 76.5 | Confident | 72.5 | Confident | 136 Ų | 136 | 95.6 Ų | 95.6 | 59% | 0.591 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.4 | -48.6 | 174.6 | -168.8 | 179 | 179.6 | -174.2 | 0 | 111.4 | D139 L140 M144 L145 D146 | D139-K142 PolarHBondContact O-N 2.9Å; L140-K142 VanDerWaalsContact C-N 3.3Å; L140-K142 PolarHBondContact O-N 3.18Å; K142-M144 PolarHBondContact O-N 2.9Å; K142-L145 WeakPolarHBondContact O-CB 3.48Å; K142-L145 PolarHBondContact O-N 3.39Å; K142-D146 PolarHBondContact O-N 3.34Å |
| 143 | K | 78 | Confident | 73.2 | Confident | 111 Ų | 111 | 101.4 Ų | 101.4 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 175.9 | -78.3 | 170.9 | 169.7 | 159 | 0 | 112.8 | D139 L140 L145 D146 I147 | D139-K143 WeakPolarHBondContact O-CB 3.27Å; D139-K143 WeakPolarHBondContact O-CG 3.36Å; D139-K143 PolarHBondContact O-N 2.99Å; D139-K143 VanDerWaalsContact OD2-CE 3.24Å; D139-K143 WeakPolarHBondContact OD2-CE 3.27Å; D139-K143 IonicContact OD2-NZ 3.35Å; D139-K143 PolarHBondContact OD2-NZ 3.25Å; L140-K143 PolarHBondContact O-N 2.93Å; K143-L145 VanDerWaalsContact C-N 3.32Å; K143-D146 PolarHBondContact O-N 2.93Å; K143-I147 WeakPolarHBondContact O-CB 3.43Å; K143-I147 VanDerWaalsContact O-CG1 3.24Å; K143-I147 WeakPolarHBondContact O-CG1 3.28Å; K143-I147 PolarHBondContact O-N 2.86Å |
| 144 | M | 76.9 | Confident | 73.7 | Confident | 67 Ų | 67 | 105 Ų | 105 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 177.3 | -71 | -68.6 | -80.3 | 0 | 0 | 111.5 | L140 D141 K142 A148 | L140-M144 HydrophobicContact CG-CG 4.33Å; L140-M144 WeakPolarHBondContact O-CB 3.49Å; L140-M144 WeakPolarHBondContact O-CG 3.28Å; L140-M144 PolarHBondContact O-N 3.46Å; D141-M144 PolarHBondContact O-N 3.29Å; K142-M144 PolarHBondContact O-N 2.9Å; M144-A148 VanDerWaalsContact O-CB 3.29Å; M144-A148 WeakPolarHBondContact O-CB 3.39Å; M144-A148 PolarHBondContact O-N 3.21Å |
| 145 | L | 77.2 | Confident | 74.7 | Confident | 99 Ų | 99 | 102.2 Ų | 102.2 | 52% | 0.518 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 174.1 | -173.2 | 70.6 | 0 | 0 | 0 | 111.5 | D141 K142 K143 A148 K149 | D141-L145 VanDerWaalsContact O-CB 3.3Å; D141-L145 WeakPolarHBondContact O-CB 3.42Å; D141-L145 PolarHBondContact O-N 2.86Å; K142-L145 WeakPolarHBondContact O-CB 3.48Å; K142-L145 PolarHBondContact O-N 3.39Å; K143-L145 VanDerWaalsContact C-N 3.32Å; L145-A148 WeakPolarHBondContact O-CB 3.32Å; L145-A148 PolarHBondContact O-N 3.29Å; L145-K149 WeakPolarHBondContact O-CG 3.45Å; L145-K149 PolarHBondContact O-N 3.17Å |
| 146 | D | 80.3 | Confident | 75.6 | Confident | 63 Ų | 63 | 105.5 Ų | 105.5 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 177.7 | -68.9 | -25.2 | 0 | 0 | 0 | 111.4 | K142 K143 A148 K149 I150 | K142-D146 PolarHBondContact O-N 3.34Å; K143-D146 PolarHBondContact O-N 2.93Å; D146-A148 VanDerWaalsContact C-N 3.31Å; D146-A148 PolarHBondContact O-N 3.13Å; D146-K149 PolarHBondContact O-N 3.16Å; D146-K149 IonicContact OD1-NZ 3.37Å; D146-K149 PolarHBondContact OD1-NZ 3.49Å; D146-I150 VanDerWaalsContact O-CG1 3.31Å; D146-I150 WeakPolarHBondContact O-CG1 3.38Å; D146-I150 PolarHBondContact O-N 3.33Å |
| 147 | I | 79.8 | Confident | 76.5 | Confident | 88 Ų | 88 | 104 Ų | 104 | 45% | 0.451 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 171.1 | -69.5 | 165.7 | 0 | 0 | 0 | 110.7 | K143 I150 L151 | K143-I147 WeakPolarHBondContact O-CB 3.43Å; K143-I147 VanDerWaalsContact O-CG1 3.24Å; K143-I147 WeakPolarHBondContact O-CG1 3.28Å; K143-I147 PolarHBondContact O-N 2.86Å; I147-I150 PolarHBondContact O-N 3.34Å; I147-L151 HydrophobicContact CG2-CD1 3.64Å; I147-L151 WeakPolarHBondContact O-CB 3.4Å; I147-L151 PolarHBondContact O-N 2.85Å |
| 148 | A | 77.8 | Confident | 77.3 | Confident | 44 Ų | 44 | 104.3 Ų | 104.3 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M144 L145 D146 I150 L151 S152 | M144-A148 VanDerWaalsContact O-CB 3.29Å; M144-A148 WeakPolarHBondContact O-CB 3.39Å; M144-A148 PolarHBondContact O-N 3.21Å; L145-A148 WeakPolarHBondContact O-CB 3.32Å; L145-A148 PolarHBondContact O-N 3.29Å; D146-A148 VanDerWaalsContact C-N 3.31Å; D146-A148 PolarHBondContact O-N 3.13Å; A148-I150 VanDerWaalsContact C-N 3.35Å; A148-I150 PolarHBondContact O-N 2.88Å; A148-L151 PolarHBondContact O-N 2.87Å; A148-S152 WeakPolarHBondContact O-CB 3.43Å; A148-S152 PolarHBondContact O-N 3.14Å; A148-S152 PolarHBondContact O-OG 2.89Å; A148-S152 VanDerWaalsContact O-OG 3.1Å |
| 149 | K | 81.5 | Confident | 78.1 | Confident | 106 Ų | 106 | 102.7 Ų | 102.7 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175 | -72.5 | 171 | -174 | 163.5 | 0 | 111.9 | L145 D146 S152 R153 | L145-K149 WeakPolarHBondContact O-CG 3.45Å; L145-K149 PolarHBondContact O-N 3.17Å; D146-K149 PolarHBondContact O-N 3.16Å; D146-K149 IonicContact OD1-NZ 3.37Å; D146-K149 PolarHBondContact OD1-NZ 3.49Å; K149-S152 PolarHBondContact O-N 3.03Å; K149-R153 WeakPolarHBondContact O-CG 3.33Å; K149-R153 PolarHBondContact O-N 2.8Å |
| 150 | I | 83.4 | Confident | 78.6 | Confident | 117 Ų | 117 | 105.2 Ų | 105.2 | 60% | 0.6 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.8 | -46.2 | 178.3 | -65.6 | 166.4 | 0 | 0 | 0 | 110.4 | D146 I147 A148 R153 R154 | D146-I150 VanDerWaalsContact O-CG1 3.31Å; D146-I150 WeakPolarHBondContact O-CG1 3.38Å; D146-I150 PolarHBondContact O-N 3.33Å; I147-I150 PolarHBondContact O-N 3.34Å; A148-I150 VanDerWaalsContact C-N 3.35Å; A148-I150 PolarHBondContact O-N 2.88Å; I150-R153 PolarHBondContact O-N 3.46Å; I150-R154 PolarHBondContact O-N 3.35Å; I150-R154 VanDerWaalsContact O-N 3.08Å |
| 151 | L | 79.2 | Confident | 79.2 | Confident | 59 Ų | 59 | 110 Ų | 110 | 31% | 0.309 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 176.5 | -83.3 | 155.7 | 0 | 0 | 0 | 111.8 | I147 A148 R153 R154 I155 | I147-L151 HydrophobicContact CG2-CD1 3.64Å; I147-L151 WeakPolarHBondContact O-CB 3.4Å; I147-L151 PolarHBondContact O-N 2.85Å; A148-L151 PolarHBondContact O-N 2.87Å; L151-R153 PolarHBondContact O-N 3.15Å; L151-R154 PolarHBondContact O-N 3.5Å; L151-R154 VanDerWaalsContact O-N 3.16Å; L151-I155 VanDerWaalsContact O-CG1 3.31Å; L151-I155 WeakPolarHBondContact O-CG1 3.31Å; L151-I155 PolarHBondContact O-N 3.04Å |
| 152 | S | 78.6 | Confident | 79.7 | Confident | 73 Ų | 73 | 109.3 Ų | 109.3 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 177.4 | -70 | 0 | 0 | 0 | 0 | 111.4 | A148 K149 R154 I155 E156 | A148-S152 WeakPolarHBondContact O-CB 3.43Å; A148-S152 PolarHBondContact O-N 3.14Å; A148-S152 PolarHBondContact O-OG 2.89Å; A148-S152 VanDerWaalsContact O-OG 3.1Å; K149-S152 PolarHBondContact O-N 3.03Å; S152-R154 VanDerWaalsContact C-N 3.27Å; S152-R154 PolarHBondContact O-N 3.12Å; S152-I155 PolarHBondContact O-N 3.29Å; S152-E156 WeakPolarHBondContact O-CB 3.39Å; S152-E156 PolarHBondContact O-N 2.81Å |
| 153 | R | 80.5 | Confident | 79.9 | Confident | 180 Ų | 180 | 106.5 Ų | 106.5 | 68% | 0.679 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -37.7 | 176.4 | -73 | -179.5 | -177.6 | -160.7 | 0.7 | 112.5 | K149 I150 L151 K157 | K149-R153 WeakPolarHBondContact O-CG 3.33Å; K149-R153 PolarHBondContact O-N 2.8Å; I150-R153 PolarHBondContact O-N 3.46Å; L151-R153 PolarHBondContact O-N 3.15Å; R153-K157 WeakPolarHBondContact O-CG 3.43Å; R153-K157 PolarHBondContact O-N 3.32Å; R153-K157 VanDerWaalsContact O-N 3.14Å |
| 154 | R | 81.3 | Confident | 80.1 | Confident | 162 Ų | 162 | 106.9 Ų | 106.9 | 61% | 0.611 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.3 | -38.6 | 178.9 | -162.6 | 177.4 | -159.4 | 172.2 | 6.1 | 112.3 | I150 L151 S152 R158 | I150-R154 PolarHBondContact O-N 3.35Å; I150-R154 VanDerWaalsContact O-N 3.08Å; L151-R154 PolarHBondContact O-N 3.5Å; L151-R154 VanDerWaalsContact O-N 3.16Å; S152-R154 VanDerWaalsContact C-N 3.27Å; S152-R154 PolarHBondContact O-N 3.12Å; R154-R158 WeakPolarHBondContact O-CG 3.37Å; R154-R158 PolarHBondContact O-N 3.18Å; R154-R158 VanDerWaalsContact O-N 3.17Å |
| 155 | I | 81.6 | Confident | 80.4 | Confident | 80 Ų | 80 | 108.4 Ų | 108.4 | 41% | 0.41 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 175.5 | -69.4 | 166.7 | 0 | 0 | 0 | 109.8 | L151 S152 R158 M159 | L151-I155 VanDerWaalsContact O-CG1 3.31Å; L151-I155 WeakPolarHBondContact O-CG1 3.31Å; L151-I155 PolarHBondContact O-N 3.04Å; S152-I155 PolarHBondContact O-N 3.29Å; I155-R158 PolarHBondContact O-N 3.18Å; I155-R158 VanDerWaalsContact O-N 3.15Å; I155-M159 HydrophobicContact CG2-CE 4.47Å; I155-M159 HydrophobicContact CG2-CG 4.24Å; I155-M159 WeakPolarHBondContact O-CG 3.43Å; I155-M159 PolarHBondContact O-N 3.46Å |
| 156 | E | 78.9 | Confident | 80.5 | Confident | 127 Ų | 127 | 108.9 Ų | 108.9 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58 | -50.3 | 177.6 | -169.5 | 168.5 | -154.6 | 0 | 0 | 111.4 | S152 R158 M159 E160 | S152-E156 WeakPolarHBondContact O-CB 3.39Å; S152-E156 PolarHBondContact O-N 2.81Å; E156-R158 VanDerWaalsContact C-N 3.3Å; E156-R158 PolarHBondContact O-N 3.16Å; E156-M159 PolarHBondContact O-N 3.37Å; E156-M159 VanDerWaalsContact O-N 3.12Å; E156-E160 WeakPolarHBondContact O-CB 3.47Å; E156-E160 PolarHBondContact O-N 2.96Å |
| 157 | K | 82.3 | Confident | 80.6 | Confident | 156 Ų | 156 | 110.8 Ų | 110.8 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58 | -38.8 | 174.1 | -73.5 | -174.2 | 177.2 | -169.1 | 0 | 113.6 | R153 Y161 | R153-K157 WeakPolarHBondContact O-CG 3.43Å; R153-K157 PolarHBondContact O-N 3.32Å; R153-K157 VanDerWaalsContact O-N 3.14Å; K157-Y161 PolarHBondContact O-N 3.45Å |
| 158 | R | 79.1 | Confident | 80.6 | Confident | 131 Ų | 131 | 111.4 Ų | 111.4 | 49% | 0.494 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 177.2 | -75.6 | -179.1 | 177.7 | -173.5 | -1.5 | 111.9 | R154 I155 E156 L162 | R154-R158 WeakPolarHBondContact O-CG 3.37Å; R154-R158 PolarHBondContact O-N 3.18Å; R154-R158 VanDerWaalsContact O-N 3.17Å; I155-R158 PolarHBondContact O-N 3.18Å; I155-R158 VanDerWaalsContact O-N 3.15Å; E156-R158 VanDerWaalsContact C-N 3.3Å; E156-R158 PolarHBondContact O-N 3.16Å; R158-L162 WeakPolarHBondContact O-CB 3.47Å; R158-L162 WeakPolarHBondContact O-CD1 3.43Å; R158-L162 WeakPolarHBondContact O-CG 3.45Å; R158-L162 PolarHBondContact O-N 2.86Å |
| 159 | M | 77.4 | Confident | 80.6 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | 175.8 | -73.7 | -144.3 | -68.5 | 0 | 0 | 111.2 | I155 E156 Y161 L162 T163 | I155-M159 HydrophobicContact CG2-CE 4.47Å; I155-M159 HydrophobicContact CG2-CG 4.24Å; I155-M159 WeakPolarHBondContact O-CG 3.43Å; I155-M159 PolarHBondContact O-N 3.46Å; E156-M159 PolarHBondContact O-N 3.37Å; E156-M159 VanDerWaalsContact O-N 3.12Å; M159-Y161 PolarHBondContact O-N 3.37Å; M159-L162 PolarHBondContact O-N 3.1Å; M159-T163 PolarHBondContact O-N 2.94Å; M159-T163 PolarHBondContact O-OG1 3.19Å; M159-T163 VanDerWaalsContact O-OG1 3.1Å |
| 160 | E | 82 | Confident | 80.1 | Confident | 135 Ų | 135 | 114.5 Ų | 114.5 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.3 | -44.4 | 176.4 | -165.7 | 168.5 | -155.5 | 0 | 0 | 111.7 | E156 L162 T163 Q164 | E156-E160 WeakPolarHBondContact O-CB 3.47Å; E156-E160 PolarHBondContact O-N 2.96Å; E160-L162 PolarHBondContact O-N 3.43Å; E160-T163 PolarHBondContact O-N 3Å; E160-Q164 PolarHBondContact O-N 3.12Å |
| 161 | Y | 81.1 | Confident | 79.6 | Confident | 145 Ų | 145 | 111.6 Ų | 111.6 | 57% | 0.569 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -42.1 | 173 | 177 | -100.2 | 0 | 0 | 0 | 113.2 | K157 M159 Q164 K165 | K157-Y161 PolarHBondContact O-N 3.45Å; M159-Y161 PolarHBondContact O-N 3.37Å; Y161-Q164 PolarHBondContact O-N 3.42Å; Y161-K165 HydrophobicContact CE1-CD 4.49Å; Y161-K165 WeakPolarHBondContact O-CB 3.45Å; Y161-K165 PolarHBondContact O-N 2.89Å |
| 162 | L | 79.7 | Confident | 79.1 | Confident | 100 Ų | 100 | 117.6 Ų | 117.6 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.4 | -43.5 | 176.9 | -84.6 | 158.6 | 0 | 0 | 0 | 111.5 | R158 M159 E160 K165 L166 | R158-L162 WeakPolarHBondContact O-CB 3.47Å; R158-L162 WeakPolarHBondContact O-CD1 3.43Å; R158-L162 WeakPolarHBondContact O-CG 3.45Å; R158-L162 PolarHBondContact O-N 2.86Å; M159-L162 PolarHBondContact O-N 3.1Å; E160-L162 PolarHBondContact O-N 3.43Å; L162-K165 PolarHBondContact O-N 3.2Å; L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 WeakPolarHBondContact O-CD1 3.34Å; L162-L166 WeakPolarHBondContact O-CG 3.49Å; L162-L166 PolarHBondContact O-N 2.87Å |
| 163 | T | 81.2 | Confident | 78.3 | Confident | 76 Ų | 76 | 122.1 Ų | 122.1 | 47% | 0.466 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.4 | -45.5 | 176.7 | -62.2 | 0 | 0 | 0 | 0 | 111 | M159 E160 K165 L166 D167 | M159-T163 PolarHBondContact O-N 2.94Å; M159-T163 PolarHBondContact O-OG1 3.19Å; M159-T163 VanDerWaalsContact O-OG1 3.1Å; E160-T163 PolarHBondContact O-N 3Å; T163-K165 PolarHBondContact O-N 3.38Å; T163-L166 WeakPolarHBondContact O-CB 3.42Å; T163-L166 PolarHBondContact O-N 2.91Å; T163-D167 PolarHBondContact O-N 3.28Å |
| 164 | Q | 81.6 | Confident | 77.4 | Confident | 119 Ų | 119 | 118.8 Ų | 118.8 | 56% | 0.556 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.4 | -44.2 | 176.5 | -171.8 | 175.1 | 6.1 | 0 | 0 | 112 | E160 Y161 L166 D167 D168 | E160-Q164 PolarHBondContact O-N 3.12Å; Y161-Q164 PolarHBondContact O-N 3.42Å; Q164-L166 VanDerWaalsContact C-N 3.32Å; Q164-L166 PolarHBondContact O-N 3.32Å; Q164-D167 PolarHBondContact O-N 3.22Å; Q164-D168 VanDerWaalsContact O-CG 3.3Å; Q164-D168 PolarHBondContact O-N 3.41Å |
| 165 | K | 83.3 | Confident | 76 | Confident | 99 Ų | 99 | 118.1 Ų | 118.1 | 43% | 0.43 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.7 | -34.4 | 177.4 | -171.6 | 170.5 | -178.4 | 175.8 | 0 | 112.7 | Y161 L162 T163 M169 | Y161-K165 HydrophobicContact CE1-CD 4.49Å; Y161-K165 WeakPolarHBondContact O-CB 3.45Å; Y161-K165 PolarHBondContact O-N 2.89Å; L162-K165 PolarHBondContact O-N 3.2Å; T163-K165 PolarHBondContact O-N 3.38Å; K165-M169 HydrophobicContact CG-CE 4.38Å; K165-M169 WeakPolarHBondContact O-CB 3.4Å; K165-M169 WeakPolarHBondContact O-CG 3.34Å; K165-M169 PolarHBondContact O-N 3.43Å |
| 166 | L | 80.2 | Confident | 75.7 | Confident | 109 Ų | 109 | 120 Ų | 120 | 57% | 0.571 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.9 | -44.7 | 173.5 | -84.9 | 154.3 | 0 | 0 | 0 | 111.3 | L162 T163 Q164 M169 L170 | L162-L166 WeakPolarHBondContact O-CB 3.45Å; L162-L166 WeakPolarHBondContact O-CD1 3.34Å; L162-L166 WeakPolarHBondContact O-CG 3.49Å; L162-L166 PolarHBondContact O-N 2.87Å; T163-L166 WeakPolarHBondContact O-CB 3.42Å; T163-L166 PolarHBondContact O-N 2.91Å; Q164-L166 VanDerWaalsContact C-N 3.32Å; Q164-L166 PolarHBondContact O-N 3.32Å; L166-M169 PolarHBondContact O-N 2.93Å; L166-L170 VanDerWaalsContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CB 3.3Å; L166-L170 PolarHBondContact O-N 3.38Å |
| 167 | D | 82.4 | Confident | 75.6 | Confident | 103 Ų | 103 | 119.6 Ų | 119.6 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.9 | -42.1 | 176.2 | -76 | -19.7 | 0 | 0 | 0 | 111.4 | T163 Q164 L170 A171 | T163-D167 PolarHBondContact O-N 3.28Å; Q164-D167 PolarHBondContact O-N 3.22Å; D167-L170 PolarHBondContact O-N 3.05Å; D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.03Å |
| 168 | D | 79.2 | Confident | 75.2 | Confident | 101 Ų | 101 | 117.6 Ų | 117.6 | 54% | 0.54 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.1 | -43.3 | 176.2 | -72 | -18.3 | 0 | 0 | 0 | 112 | Q164 A171 Y172 | Q164-D168 VanDerWaalsContact O-CG 3.3Å; Q164-D168 PolarHBondContact O-N 3.41Å; D168-A171 PolarHBondContact O-N 3.27Å; D168-Y172 PolarHBondContact O-N 3.06Å |
| 169 | M | 77.2 | Confident | 75 | Confident | 108 Ų | 108 | 116.8 Ų | 116.8 | 53% | 0.532 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.4 | -41.3 | 175.5 | -78.3 | 179 | 172.4 | 0 | 0 | 111.9 | K165 L166 Y172 E173 | K165-M169 HydrophobicContact CG-CE 4.38Å; K165-M169 WeakPolarHBondContact O-CB 3.4Å; K165-M169 WeakPolarHBondContact O-CG 3.34Å; K165-M169 PolarHBondContact O-N 3.43Å; L166-M169 PolarHBondContact O-N 2.93Å; M169-Y172 PolarHBondContact O-N 3.48Å; M169-E173 PolarHBondContact O-N 2.99Å |
| 170 | L | 71.2 | Confident | 74.8 | Confident | 108 Ų | 108 | 116.8 Ų | 116.8 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.4 | -35.4 | -179.3 | -158 | 146.1 | 0 | 0 | 0 | 111.3 | L166 D167 E173 T174 | L166-L170 VanDerWaalsContact O-CB 3.3Å; L166-L170 WeakPolarHBondContact O-CB 3.3Å; L166-L170 PolarHBondContact O-N 3.38Å; D167-L170 PolarHBondContact O-N 3.05Å; L170-E173 PolarHBondContact O-N 3.15Å; L170-T174 HydrophobicContact CD2-CG2 4.36Å; L170-T174 WeakPolarHBondContact O-CB 3.47Å; L170-T174 WeakPolarHBondContact O-CG2 3.42Å; L170-T174 PolarHBondContact O-N 3.5Å; L170-T174 VanDerWaalsContact O-N 3.15Å; L170-T174 PolarHBondContact O-OG1 3.37Å |
| 171 | A | 73.4 | Confident | 74.4 | Confident | 55 Ų | 55 | 115.6 Ų | 115.6 | 46% | 0.455 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65 | -38.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D167 D168 T174 S175 | D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.03Å; D168-A171 PolarHBondContact O-N 3.27Å; A171-T174 PolarHBondContact O-N 3.23Å; A171-T174 PolarHBondContact O-OG1 3.48Å; A171-S175 PolarHBondContact O-N 3.42Å |
| 172 | Y | 68.6 | Low | 73.9 | Confident | 185 Ų | 185 | 113.5 Ų | 113.5 | 73% | 0.725 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.5 | -37.9 | 176.2 | -173.5 | -96.4 | 0 | 0 | 0 | 112.7 | D168 M169 T174 | D168-Y172 PolarHBondContact O-N 3.06Å; M169-Y172 PolarHBondContact O-N 3.48Å; Y172-T174 VanDerWaalsContact C-N 3.3Å; Y172-T174 PolarHBondContact O-N 2.71Å |
| 173 | E | 61.5 | Low | 73.4 | Confident | 169 Ų | 169 | 114.5 Ų | 114.5 | 79% | 0.79 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.9 | -22.9 | 176.1 | -76.7 | -173.1 | 172.5 | 0 | 0 | 113.6 | M169 L170 | M169-E173 PolarHBondContact O-N 2.99Å; L170-E173 PolarHBondContact O-N 3.15Å |
| 174 | T | 62.1 | Low | 72.8 | Confident | 110 Ų | 110 | 117.8 Ų | 117.8 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -98.1 | -4.8 | -177.7 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | L170 A171 Y172 | L170-T174 HydrophobicContact CD2-CG2 4.36Å; L170-T174 WeakPolarHBondContact O-CB 3.47Å; L170-T174 WeakPolarHBondContact O-CG2 3.42Å; L170-T174 PolarHBondContact O-N 3.5Å; L170-T174 VanDerWaalsContact O-N 3.15Å; L170-T174 PolarHBondContact O-OG1 3.37Å; A171-T174 PolarHBondContact O-N 3.23Å; A171-T174 PolarHBondContact O-OG1 3.48Å; Y172-T174 VanDerWaalsContact C-N 3.3Å; Y172-T174 PolarHBondContact O-N 2.71Å |
| 175 | S | 52.6 | Low | 72 | Confident | 147 Ų | 147 | 117.6 Ų | 117.6 | 100% | 1.028 | 62% | 0.624 | S | S | * | * | trans | -95.4 | 0 | 172.8 | 89.5 | 0 | 0 | 0 | 0 | 112.2 | A171 | A171-S175 PolarHBondContact O-N 3.42Š|
Retrieved 175 of 175 residues in 118.4 ms
(Link to these results)