| 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 | 65.9 | Low | 253 Ų | 253 | 123.2 Ų | 123.2 | 100% | 1.246 | 64% | 0.643 | S | S | * | * | 0 | 84.4 | 0 | -74.6 | 162 | 149.4 | 0 | 0 | 107.8 | |||||
| 2 | G | 49 | Very low | 67.3 | Low | 50 Ų | 50 | 119.7 Ų | 119.7 | 52% | 0.515 | 63% | 0.631 | S | S | . | * | trans | -88.9 | -172.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M4 | G2-M4 PolarHBondContact O-N 3.32Š| ||
| 3 | P | 60.1 | Low | 68.4 | Low | 107 Ų | 107 | 116.2 Ų | 116.2 | 70% | 0.695 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -56.7 | 0.4 | -157.1 | 22.8 | -36 | 0 | 0 | 0 | 118.4 | R5 L6 | P3-R5 PolarHBondContact O-N 3.08Å; P3-R5 VanDerWaalsContact O-N 3.15Å; P3-L6 PolarHBondContact O-N 2.86Å; P3-L6 VanDerWaalsContact O-N 3.12Å |
| 4 | M | 59 | Low | 69.3 | Low | 157 Ų | 157 | 113.9 Ų | 113.9 | 77% | 0.773 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -61.4 | -20.4 | 178.5 | -67.2 | -64.3 | -167.1 | 0 | 0 | 114.2 | G2 P8 | G2-M4 PolarHBondContact O-N 3.32Å; M4-P8 WeakPolarHBondContact O-CD 3.35Å |
| 5 | R | 64.6 | Low | 70 | Confident | 217 Ų | 217 | 113.8 Ų | 113.8 | 82% | 0.819 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -83.6 | -19.6 | 176.8 | -69.3 | -110.9 | 175.7 | 162.6 | -2.3 | 113.8 | P3 P8 I9 | P3-R5 PolarHBondContact O-N 3.08Å; P3-R5 VanDerWaalsContact O-N 3.15Å; R5-P8 WeakPolarHBondContact O-CD 3.32Å; R5-P8 WeakPolarHBondContact O-CG 3.15Å; R5-I9 WeakPolarHBondContact O-CD1 3.11Å |
| 6 | L | 65.4 | Low | 70.7 | Confident | 119 Ų | 119 | 111.9 Ų | 111.9 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -86.1 | -29.1 | 179.2 | -67.8 | 176.1 | 0 | 0 | 0 | 112.2 | P3 I9 F10 | P3-L6 PolarHBondContact O-N 2.86Å; P3-L6 VanDerWaalsContact O-N 3.12Å; L6-I9 HydrophobicContact CD2-CD1 4.44Å; L6-I9 PolarHBondContact O-N 2.81Å; L6-F10 WeakPolarHBondContact O-CB 3.39Å; L6-F10 PolarHBondContact O-N 3.21Å |
| 7 | L | 69.8 | Low | 71.1 | Confident | 109 Ų | 109 | 110.2 Ų | 110.2 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.4 | -47 | 177.2 | -146.2 | 153.5 | 0 | 0 | 0 | 113.4 | I9 F10 V11 | L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 2.76Å; L7-F10 PolarHBondContact O-N 3.43Å; L7-V11 HydrophobicContact CD2-CG2 4.17Å; L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 3.43Å |
| 8 | P | 75 | Confident | 71.4 | Confident | 69 Ų | 69 | 110.1 Ų | 110.1 | 45% | 0.448 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.3 | -34.5 | 176.2 | 26.7 | -35.4 | 0 | 0 | 0 | 112.5 | M4 R5 F10 V11 V12 | M4-P8 WeakPolarHBondContact O-CD 3.35Å; R5-P8 WeakPolarHBondContact O-CD 3.32Å; R5-P8 WeakPolarHBondContact O-CG 3.15Å; P8-F10 VanDerWaalsContact C-N 3.33Å; P8-V11 PolarHBondContact O-N 3.14Å; P8-V12 VanDerWaalsContact O-CG2 3.27Å; P8-V12 WeakPolarHBondContact O-CG2 2.86Å; P8-V12 PolarHBondContact O-N 3.1Å |
| 9 | I | 77.8 | Confident | 71.7 | Confident | 96 Ų | 96 | 109.6 Ų | 109.6 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.1 | -41.1 | 176.6 | -62.5 | 171.8 | 0 | 0 | 0 | 110.2 | R5 L6 L7 V12 L13 | R5-I9 WeakPolarHBondContact O-CD1 3.11Å; L6-I9 HydrophobicContact CD2-CD1 4.44Å; L6-I9 PolarHBondContact O-N 2.81Å; L7-I9 VanDerWaalsContact C-N 3.34Å; L7-I9 PolarHBondContact O-N 2.76Å; I9-V12 PolarHBondContact O-N 3.29Å; I9-L13 HydrophobicContact CG2-CD1 4.11Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 PolarHBondContact O-N 3.44Å |
| 10 | F | 75.8 | Confident | 71.7 | Confident | 111 Ų | 111 | 109.8 Ų | 109.8 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -42.3 | 176.5 | -167.5 | -101.3 | 0 | 0 | 0 | 111.9 | L6 L7 P8 L13 L14 | L6-F10 WeakPolarHBondContact O-CB 3.39Å; L6-F10 PolarHBondContact O-N 3.21Å; L7-F10 PolarHBondContact O-N 3.43Å; P8-F10 VanDerWaalsContact C-N 3.33Å; F10-L13 PolarHBondContact O-N 3.33Å; F10-L14 HydrophobicContact CD1-CD1 3.79Å; F10-L14 HydrophobicContact CD1-CG 4.19Å; F10-L14 HydrophobicContact CE1-CD1 3.53Å; F10-L14 HydrophobicContact CE1-CD2 4.41Å; F10-L14 HydrophobicContact CE1-CG 4.01Å; F10-L14 HydrophobicContact CZ-CD1 4.37Å; F10-L14 HydrophobicContact CZ-CD2 4.49Å; F10-L14 HydrophobicContact CZ-CG 4.48Å; F10-L14 WeakPolarHBondContact O-CG 3.38Å; F10-L14 PolarHBondContact O-N 3.33Å |
| 11 | V | 81 | Confident | 71.4 | Confident | 67 Ų | 67 | 109.9 Ų | 109.9 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.6 | -44.5 | 175 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | L7 P8 L13 L14 L15 | L7-V11 HydrophobicContact CD2-CG2 4.17Å; L7-V11 WeakPolarHBondContact O-CG2 3.46Å; L7-V11 PolarHBondContact O-N 3.43Å; P8-V11 PolarHBondContact O-N 3.14Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.44Å; V11-L14 PolarHBondContact O-N 3.31Å; V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.14Å; V11-L15 PolarHBondContact O-N 3.12Å |
| 12 | V | 82.9 | Confident | 72 | Confident | 81 Ų | 81 | 101.4 Ų | 101.4 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | P8 I9 L15 L16 | P8-V12 VanDerWaalsContact O-CG2 3.27Å; P8-V12 WeakPolarHBondContact O-CG2 2.86Å; P8-V12 PolarHBondContact O-N 3.1Å; I9-V12 PolarHBondContact O-N 3.29Å; V12-L15 PolarHBondContact O-N 2.74Å; V12-L16 HydrophobicContact CG1-CD1 3.98Å; V12-L16 WeakPolarHBondContact O-CB 3.48Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 3.37Å |
| 13 | L | 81.8 | Confident | 72.5 | Confident | 75 Ų | 75 | 105.5 Ų | 105.5 | 39% | 0.393 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 173.8 | -93.1 | 154.5 | 0 | 0 | 0 | 111.7 | I9 F10 V11 L15 L16 Y17 | I9-L13 HydrophobicContact CG2-CD1 4.11Å; I9-L13 WeakPolarHBondContact O-CB 3.42Å; I9-L13 PolarHBondContact O-N 3.44Å; F10-L13 PolarHBondContact O-N 3.33Å; V11-L13 VanDerWaalsContact C-N 3.34Å; V11-L13 PolarHBondContact O-N 3.44Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 3.29Å; L13-L16 PolarHBondContact O-N 2.8Å; L13-Y17 HydrophobicContact CD2-CD2 4.5Å; L13-Y17 HydrophobicContact CD2-CE2 3.85Å; L13-Y17 WeakPolarHBondContact O-CD2 3.5Å; L13-Y17 PolarHBondContact O-N 2.94Å |
| 14 | L | 80.6 | Confident | 72 | Confident | 84 Ų | 84 | 105.5 Ų | 105.5 | 44% | 0.44 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 176.4 | -73.3 | 179.4 | 0 | 0 | 0 | 112 | F10 V11 L16 Y17 D18 | F10-L14 HydrophobicContact CD1-CD1 3.79Å; F10-L14 HydrophobicContact CD1-CG 4.19Å; F10-L14 HydrophobicContact CE1-CD1 3.53Å; F10-L14 HydrophobicContact CE1-CD2 4.41Å; F10-L14 HydrophobicContact CE1-CG 4.01Å; F10-L14 HydrophobicContact CZ-CD1 4.37Å; F10-L14 HydrophobicContact CZ-CD2 4.49Å; F10-L14 HydrophobicContact CZ-CG 4.48Å; F10-L14 WeakPolarHBondContact O-CG 3.38Å; F10-L14 PolarHBondContact O-N 3.33Å; V11-L14 PolarHBondContact O-N 3.31Å; L14-L16 PolarHBondContact O-N 2.94Å; L14-Y17 WeakPolarHBondContact O-CB 3.34Å; L14-Y17 PolarHBondContact O-N 2.74Å; L14-Y17 VanDerWaalsContact O-N 3.16Å; L14-D18 PolarHBondContact O-N 3.39Å |
| 15 | L | 79.5 | Confident | 71.4 | Confident | 112 Ų | 112 | 106.7 Ų | 106.7 | 59% | 0.586 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.8 | -41.4 | 175.8 | -69.4 | 173.1 | 0 | 0 | 0 | 112.1 | V11 V12 L13 Y17 D18 E19 | V11-L15 HydrophobicContact CG1-CD1 4.06Å; V11-L15 HydrophobicContact CG1-CG 4.42Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.14Å; V11-L15 PolarHBondContact O-N 3.12Å; V12-L15 PolarHBondContact O-N 2.74Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 3.29Å; L15-Y17 VanDerWaalsContact C-N 3.34Å; L15-D18 PolarHBondContact O-N 3.08Å; L15-E19 WeakPolarHBondContact O-CB 3.43Å; L15-E19 PolarHBondContact O-N 3.38Å |
| 16 | L | 81.1 | Confident | 70.7 | Confident | 83 Ų | 83 | 100.9 Ų | 100.9 | 44% | 0.435 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 173.2 | -77.3 | 164.1 | 0 | 0 | 0 | 111.7 | V12 L13 L14 E19 I20 | V12-L16 HydrophobicContact CG1-CD1 3.98Å; V12-L16 WeakPolarHBondContact O-CB 3.48Å; V12-L16 WeakPolarHBondContact O-CG 3.44Å; V12-L16 PolarHBondContact O-N 3.37Å; L13-L16 PolarHBondContact O-N 2.8Å; L14-L16 PolarHBondContact O-N 2.94Å; L16-E19 PolarHBondContact O-N 3.38Å; L16-I20 WeakPolarHBondContact O-CB 3.48Å; L16-I20 WeakPolarHBondContact O-CD1 3.49Å; L16-I20 WeakPolarHBondContact O-CG1 3.2Å; L16-I20 PolarHBondContact O-N 3.46Å |
| 17 | Y | 77.9 | Confident | 69.9 | Low | 84 Ų | 84 | 105 Ų | 105 | 33% | 0.329 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 175.3 | -89.7 | -68.9 | 0 | 0 | 0 | 112.2 | L13 L14 L15 E19 I20 L21 F174 | L13-Y17 HydrophobicContact CD2-CD2 4.5Å; L13-Y17 HydrophobicContact CD2-CE2 3.85Å; L13-Y17 WeakPolarHBondContact O-CD2 3.5Å; L13-Y17 PolarHBondContact O-N 2.94Å; L14-Y17 WeakPolarHBondContact O-CB 3.34Å; L14-Y17 PolarHBondContact O-N 2.74Å; L14-Y17 VanDerWaalsContact O-N 3.16Å; L15-Y17 VanDerWaalsContact C-N 3.34Å; Y17-E19 VanDerWaalsContact C-N 3.28Å; Y17-E19 PolarHBondContact O-N 3.45Å; Y17-I20 PolarHBondContact O-N 3.21Å; Y17-L21 WeakPolarHBondContact O-CB 3.38Å; Y17-L21 PolarHBondContact O-N 3.2Å; Y17-F174 HydrophobicContact CD2-CE2 4.41Å; Y17-F174 AromaticContact CE1-CE2 3.81Å; Y17-F174 HydrophobicContact CE1-CE2 3.81Å; Y17-F174 HydrophobicContact CE1-CZ 4.07Å; Y17-F174 HydrophobicContact CE2-CD2 4.41Å; Y17-F174 AromaticContact CE2-CE2 3.5Å; Y17-F174 HydrophobicContact CE2-CE2 3.5Å; Y17-F174 VanDerWaalsContact CE2-CE2 3.5Å; Y17-F174 HydrophobicContact CE2-CZ 4.12Å; Y17-F174 AromaticContact CZ-CE2 3.2Å; Y17-F174 AromaticContact CZ-CZ 3.45Å; Y17-F174 VanDerWaalsContact CZ-CZ 3.45Å; Y17-F174 WeakPolarHBondContact OH-CE2 2.97Å; Y17-F174 WeakPolarHBondContact OH-CZ 3.17Å |
| 18 | D | 77.6 | Confident | 68.5 | Low | 107 Ų | 107 | 103.2 Ų | 103.2 | 57% | 0.572 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.1 | -39.6 | 174.6 | -87.1 | -32.6 | 0 | 0 | 0 | 110.5 | L14 L15 I20 L21 A22 | L14-D18 PolarHBondContact O-N 3.39Å; L15-D18 PolarHBondContact O-N 3.08Å; D18-I20 PolarHBondContact O-N 3.46Å; D18-L21 PolarHBondContact O-N 2.99Å; D18-A22 WeakPolarHBondContact O-CA 3.42Å; D18-A22 WeakPolarHBondContact O-CB 3.16Å; D18-A22 PolarHBondContact O-N 3.44Å |
| 19 | E | 76.1 | Confident | 67.1 | Low | 101 Ų | 101 | 110 Ų | 110 | 47% | 0.472 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.9 | -36.9 | 175.6 | -149.7 | -147.7 | 141.4 | 0 | 0 | 112.7 | L15 L16 Y17 K23 | L15-E19 WeakPolarHBondContact O-CB 3.43Å; L15-E19 PolarHBondContact O-N 3.38Å; L16-E19 PolarHBondContact O-N 3.38Å; Y17-E19 VanDerWaalsContact C-N 3.28Å; Y17-E19 PolarHBondContact O-N 3.45Å; E19-K23 PolarHBondContact O-N 2.91Å; E19-K23 WeakPolarHBondContact OE1-CE 3.1Å; E19-K23 IonicContact OE1-NZ 2.74Å; E19-K23 PolarHBondContact OE1-NZ 2.96Å |
| 20 | I | 72.3 | Confident | 65.4 | Low | 114 Ų | 114 | 108.8 Ų | 108.8 | 59% | 0.585 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73.6 | -35.3 | 177.4 | -66.9 | 164.3 | 0 | 0 | 0 | 111.4 | L16 Y17 D18 | L16-I20 WeakPolarHBondContact O-CB 3.48Å; L16-I20 WeakPolarHBondContact O-CD1 3.49Å; L16-I20 WeakPolarHBondContact O-CG1 3.2Å; L16-I20 PolarHBondContact O-N 3.46Å; Y17-I20 PolarHBondContact O-N 3.21Å; D18-I20 PolarHBondContact O-N 3.46Å |
| 21 | L | 64.2 | Low | 64 | Low | 111 Ų | 111 | 110.3 Ų | 110.3 | 58% | 0.581 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -78.7 | -34.1 | 176.1 | -103.8 | 81.3 | 0 | 0 | 0 | 112.7 | Y17 D18 K23 | Y17-L21 WeakPolarHBondContact O-CB 3.38Å; Y17-L21 PolarHBondContact O-N 3.2Å; D18-L21 PolarHBondContact O-N 2.99Å; L21-K23 VanDerWaalsContact C-N 3.27Å; L21-K23 PolarHBondContact O-N 3.49Å |
| 22 | A | 61.1 | Low | 62.2 | Low | 75 Ų | 75 | 112.2 Ų | 112.2 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -81.2 | -1.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D18 P24 | D18-A22 WeakPolarHBondContact O-CA 3.42Å; D18-A22 WeakPolarHBondContact O-CB 3.16Å; D18-A22 PolarHBondContact O-N 3.44Å; A22-P24 WeakPolarHBondContact O-CD 3.35Å |
| 23 | K | 58.7 | Low | 60.5 | Low | 136 Ų | 136 | 117.3 Ų | 117.3 | 59% | 0.591 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -81.9 | 96.2 | 163.1 | -81.3 | 173.3 | -175 | 156.3 | 0 | 108.8 | E19 L21 K25 | E19-K23 PolarHBondContact O-N 2.91Å; E19-K23 WeakPolarHBondContact OE1-CE 3.1Å; E19-K23 IonicContact OE1-NZ 2.74Å; E19-K23 PolarHBondContact OE1-NZ 2.96Å; L21-K23 VanDerWaalsContact C-N 3.27Å; L21-K23 PolarHBondContact O-N 3.49Å; K23-K25 PolarHBondContact O-N 3.21Å; K23-K25 VanDerWaalsContact O-N 3.1Å |
| 24 | P | 49.8 | Very low | 58.9 | Low | 108 Ų | 108 | 125.2 Ų | 125.2 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | -58.1 | 122.1 | 171.2 | 26 | -34.7 | 0 | 0 | 0 | 107.8 | A22 S26 | A22-P24 WeakPolarHBondContact O-CD 3.35Å; P24-S26 VanDerWaalsContact C-N 3.27Å; P24-S26 PolarHBondContact O-N 2.86Å | ||
| 25 | K | 47.4 | Very low | 57.4 | Low | 182 Ų | 182 | 126.1 Ų | 126.1 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | trans | -50.3 | 94.6 | 166.7 | -84.1 | -176.7 | 166.4 | -171.1 | 0 | 108.5 | K23 | K23-K25 PolarHBondContact O-N 3.21Å; K23-K25 VanDerWaalsContact O-N 3.1Å | ||
| 26 | S | 48.4 | Very low | 55.7 | Low | 95 Ų | 95 | 126.4 Ų | 126.4 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | trans | -116.1 | 110.3 | 164.9 | 67 | 0 | 0 | 0 | 0 | 107.5 | P24 | P24-S26 VanDerWaalsContact C-N 3.27Å; P24-S26 PolarHBondContact O-N 2.86Å | ||
| 27 | K | 48.6 | Very low | 54.2 | Low | 205 Ų | 205 | 129.5 Ų | 129.5 | 89% | 0.891 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 73.2 | 128.8 | 157.1 | -57.9 | 177.8 | -179.8 | 177.6 | 0 | 116.9 | ||
| 28 | G | 40.7 | Very low | 53 | Low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | trans | -74.3 | 157.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 29 | F | 45.2 | Very low | 51.7 | Low | 212 Ų | 212 | 134.4 Ų | 134.4 | 93% | 0.93 | 73% | 0.729 | S | S | * | * | trans | -129.6 | 92.1 | 159.2 | -112.3 | -93.3 | 0 | 0 | 0 | 107.7 | ||||
| 30 | G | 42.4 | Very low | 50.5 | Low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 73% | 0.729 | S | S | * | * | trans | -85.5 | 116.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 31 | L | 46.8 | Very low | 49.2 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -167.5 | 99.5 | 150 | -138.9 | 70.5 | 0 | 0 | 0 | 105.8 | ||||
| 32 | S | 44.3 | Very low | 48.4 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | 40.3 | 78.4 | 82.5 | -167.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 33 | K | 46.9 | Very low | 47.6 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -138 | 102.3 | 135.7 | -76.7 | -167 | 179.3 | 176 | 0 | 107.9 | P35 | K33-P35 WeakPolarHBondContact O-CD 3.41Š| ||
| 34 | R | 46.7 | Very low | 46.8 | Very low | 240 Ų | 240 | 152 Ų | 152 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -62.5 | 121.7 | 154.7 | -75.3 | 178.5 | 172.9 | -176.4 | -1.7 | 106.8 | ||||
| 35 | P | 49.4 | Very low | 46.7 | Very low | 104 Ų | 104 | 152 Ų | 152 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -82.5 | 110.1 | 150.9 | 17.1 | 0.2 | 0 | 0 | 0 | 106.1 | K33 I37 | K33-P35 WeakPolarHBondContact O-CD 3.41Å; P35-I37 HydrophobicContact CB-CG1 4.46Å; P35-I37 PolarHBondContact O-N 3.43Å | ||
| 36 | S | 43.7 | Very low | 46.4 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -61.1 | 87.8 | 158 | 46.6 | 0 | 0 | 0 | 0 | 107.9 | S38 | S36-S38 VanDerWaalsContact C-N 3.32Å; S36-S38 PolarHBondContact O-N 3.45Å; S36-S38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | I | 49.5 | Very low | 46 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -75.5 | 97.3 | 164.4 | -73.7 | 173.4 | 0 | 0 | 0 | 106.1 | P35 K39 | P35-I37 HydrophobicContact CB-CG1 4.46Å; P35-I37 PolarHBondContact O-N 3.43Å; I37-K39 PolarHBondContact O-N 3.03Å | ||
| 38 | S | 52.5 | Low | 46 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -48.5 | 122.2 | 164.7 | 47.4 | 0 | 0 | 0 | 0 | 109.8 | S36 P40 | S36-S38 VanDerWaalsContact C-N 3.32Å; S36-S38 PolarHBondContact O-N 3.45Å; S36-S38 VanDerWaalsContact O-N 3.08Å; S38-P40 WeakPolarHBondContact O-CD 3.45Å | ||
| 39 | K | 50.5 | Low | 46.5 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -49.8 | 124.8 | 165.6 | -62.7 | 173.4 | 179.3 | 175.1 | 0 | 109.4 | I37 | I37-K39 PolarHBondContact O-N 3.03Š| ||
| 40 | P | 52.1 | Low | 46.8 | Very low | 74 Ų | 74 | 146 Ų | 146 | 48% | 0.481 | 77% | 0.767 | S | S | . | * | trans | -85.3 | 114.3 | 155 | 32.1 | -26.7 | 0 | 0 | 0 | 108.7 | S38 Y42 | S38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-Y42 HydrophobicContact CB-CD1 4.23Å; P40-Y42 HydrophobicContact CB-CD2 4.36Å; P40-Y42 HydrophobicContact CB-CE1 3.49Å; P40-Y42 VanDerWaalsContact CB-CE1 3.49Å; P40-Y42 HydrophobicContact CB-CE2 3.64Å; P40-Y42 WeakPolarHBondContact CB-OH 3.48Å; P40-Y42 HydrophobicContact CG-CD2 4.46Å; P40-Y42 HydrophobicContact CG-CE1 4.24Å; P40-Y42 HydrophobicContact CG-CE2 3.51Å; P40-Y42 WeakPolarHBondContact CG-OH 3.27Å; P40-Y42 PolarHBondContact O-N 3.47Å | ||
| 41 | K | 44.2 | Very low | 46.9 | Very low | 193 Ų | 193 | 151.8 Ų | 151.8 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -71 | 105.6 | 160.3 | -88.3 | 176.2 | 174.1 | 169.4 | 0 | 107 | ||||
| 42 | Y | 47.1 | Very low | 46.9 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | -107.6 | 109.9 | 156.4 | -31 | -75.9 | 0 | 0 | 0 | 107.3 | P40 | P40-Y42 HydrophobicContact CB-CD1 4.23Å; P40-Y42 HydrophobicContact CB-CD2 4.36Å; P40-Y42 HydrophobicContact CB-CE1 3.49Å; P40-Y42 VanDerWaalsContact CB-CE1 3.49Å; P40-Y42 HydrophobicContact CB-CE2 3.64Å; P40-Y42 WeakPolarHBondContact CB-OH 3.48Å; P40-Y42 HydrophobicContact CG-CD2 4.46Å; P40-Y42 HydrophobicContact CG-CE1 4.24Å; P40-Y42 HydrophobicContact CG-CE2 3.51Å; P40-Y42 WeakPolarHBondContact CG-OH 3.27Å; P40-Y42 PolarHBondContact O-N 3.47Å | ||
| 43 | R | 45.6 | Very low | 47.1 | Very low | 224 Ų | 224 | 155.6 Ų | 155.6 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -79.1 | 148.6 | 163.8 | -76.3 | -178.3 | -179.4 | 166.5 | -0.5 | 108.2 | ||||
| 44 | Y | 41.4 | Very low | 47.1 | Very low | 216 Ų | 216 | 157.8 Ų | 157.8 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | trans | 95.6 | 138.1 | 137.7 | -127.6 | -99.5 | 0 | 0 | 0 | 119.8 | ||||
| 45 | S | 47.4 | Very low | 47.1 | Very low | 106 Ų | 106 | 151.3 Ų | 151.3 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 64 | 113.5 | 170.3 | 62.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 46 | G | 40.7 | Very low | 47.2 | Very low | 73 Ų | 73 | 150.4 Ų | 150.4 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | cis | 88.9 | 86.9 | 39.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 47 | R | 40.8 | Very low | 47.9 | Very low | 245 Ų | 245 | 148.9 Ų | 148.9 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | trans | -180 | 123.8 | 142 | -115.1 | 172.4 | 174.6 | 169.3 | -0.9 | 110.8 | S49 | R47-S49 PolarHBondContact O-N 3.45Š| ||
| 48 | S | 49 | Very low | 48.2 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | trans | -55.9 | 110.8 | 156 | 41.1 | 0 | 0 | 0 | 0 | 109.2 | V50 | S48-V50 VanDerWaalsContact C-N 3.34Å; S48-V50 PolarHBondContact O-N 2.91Å; S48-V50 VanDerWaalsContact O-N 3.16Å | ||
| 49 | S | 50.1 | Low | 48.6 | Very low | 99 Ų | 99 | 146.7 Ų | 146.7 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -82.4 | 88.5 | 165.7 | 58.8 | 0 | 0 | 0 | 0 | 108.3 | R47 F51 | R47-S49 PolarHBondContact O-N 3.45Å; S49-F51 PolarHBondContact O-N 3.45Å; S49-F51 VanDerWaalsContact O-N 3.15Å | ||
| 50 | V | 51.7 | Low | 49.3 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -56.3 | 113.2 | 155.3 | 178.7 | 0 | 0 | 0 | 0 | 106 | S48 S52 | S48-V50 VanDerWaalsContact C-N 3.34Å; S48-V50 PolarHBondContact O-N 2.91Å; S48-V50 VanDerWaalsContact O-N 3.16Å; V50-S52 PolarHBondContact O-N 2.9Å | ||
| 51 | F | 43.8 | Very low | 49.6 | Very low | 194 Ų | 194 | 147.7 Ų | 147.7 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | -64 | 84.9 | 173.7 | -102.6 | -90.3 | 0 | 0 | 0 | 109 | S49 R53 | S49-F51 PolarHBondContact O-N 3.45Å; S49-F51 VanDerWaalsContact O-N 3.15Å; F51-R53 PolarHBondContact O-N 3.28Å | ||
| 52 | S | 46.8 | Very low | 50.2 | Low | 88 Ų | 88 | 143.3 Ų | 143.3 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | trans | -84.8 | 99.2 | 168.3 | -60 | 0 | 0 | 0 | 0 | 107 | V50 R54 | V50-S52 PolarHBondContact O-N 2.9Å; S52-R54 VanDerWaalsContact C-N 3.25Å; S52-R54 PolarHBondContact O-N 3.22Å | ||
| 53 | R | 49.1 | Very low | 50.7 | Low | 241 Ų | 241 | 142 Ų | 142 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | -65.7 | 87 | 169.6 | -65.1 | -173.4 | -164.8 | -167.4 | 4.6 | 108.5 | F51 | F51-R53 PolarHBondContact O-N 3.28Š| ||
| 54 | R | 47.1 | Very low | 51.4 | Low | 235 Ų | 235 | 134.9 Ų | 134.9 | 89% | 0.887 | 72% | 0.722 | S | S | * | * | trans | -87.2 | 106.1 | 165.6 | -81.6 | -172.5 | 177.7 | -134.4 | -0 | 108.3 | S52 G56 | S52-R54 VanDerWaalsContact C-N 3.25Å; S52-R54 PolarHBondContact O-N 3.22Å; R54-G56 PolarHBondContact O-N 3.18Å | ||
| 55 | S | 47.2 | Very low | 52.1 | Low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | -65.9 | 108.2 | 167.9 | 19.2 | 0 | 0 | 0 | 0 | 109.3 | L57 | S55-L57 PolarHBondContact O-N 2.95Š| ||
| 56 | G | 51.7 | Low | 52.4 | Low | 85 Ų | 85 | 131.2 Ų | 131.2 | 88% | 0.876 | 70% | 0.701 | S | S | * | * | trans | -74.9 | 45.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | R54 S58 | R54-G56 PolarHBondContact O-N 3.18Å; G56-S58 PolarHBondContact O-N 3.34Å | ||
| 57 | L | 56.7 | Low | 53.2 | Low | 84 Ų | 84 | 136.6 Ų | 136.6 | 44% | 0.44 | 70% | 0.704 | S | S | . | * | trans | -81.2 | 119.7 | 172.3 | -95.8 | 103.3 | 0 | 0 | 0 | 110.8 | S55 N59 R61 L65 | S55-L57 PolarHBondContact O-N 2.95Å; L57-N59 PolarHBondContact O-N 3.46Å; L57-R61 HydrophobicContact CD2-CB 4Å; L57-L65 HydrophobicContact CD2-CD1 4.27Å | ||
| 58 | S | 56.4 | Low | 54.1 | Low | 79 Ų | 79 | 126.9 Ų | 126.9 | 55% | 0.552 | 68% | 0.676 | S | S | * | * | trans | -42.4 | 132.2 | 167.8 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | G56 S60 R61 | G56-S58 PolarHBondContact O-N 3.34Å; S58-S60 PolarHBondContact O-N 3.16Å; S58-R61 PolarHBondContact O-N 2.83Å | ||
| 59 | N | 62 | Low | 54.5 | Low | 123 Ų | 123 | 124.4 Ų | 124.4 | 66% | 0.658 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.4 | -23.8 | -177.3 | -80.1 | -29.9 | 0 | 0 | 0 | 113.2 | L57 R61 K62 | L57-N59 PolarHBondContact O-N 3.46Å; N59-R61 VanDerWaalsContact C-N 3.31Å; N59-R61 PolarHBondContact O-N 3.43Å; N59-K62 PolarHBondContact O-N 2.93Å; N59-K62 WeakPolarHBondContact OD1-CE 3.29Å; N59-K62 PolarHBondContact OD1-NZ 2.9Å |
| 60 | S | 64.4 | Low | 55 | Low | 105 Ų | 105 | 122.1 Ų | 122.1 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -21 | 177.3 | -148.5 | 0 | 0 | 0 | 0 | 113.7 | S58 | S58-S60 PolarHBondContact O-N 3.16Š|
| 61 | R | 59.2 | Low | 55.5 | Low | 185 Ų | 185 | 119.6 Ų | 119.6 | 70% | 0.698 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -12.6 | 177.2 | -73.5 | -173.7 | 173.1 | -163.1 | -1.9 | 113.9 | L57 S58 N59 K63 A64 | L57-R61 HydrophobicContact CD2-CB 4Å; S58-R61 PolarHBondContact O-N 2.83Å; N59-R61 VanDerWaalsContact C-N 3.31Å; N59-R61 PolarHBondContact O-N 3.43Å; R61-K63 PolarHBondContact O-N 3.27Å; R61-A64 PolarHBondContact O-N 3.49Å |
| 62 | K | 56.3 | Low | 56.3 | Low | 101 Ų | 101 | 116.4 Ų | 116.4 | 44% | 0.439 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -64.1 | -27.9 | 176.4 | -73.1 | 179.6 | -178.8 | 167 | 0 | 113.1 | N59 A64 L65 | N59-K62 PolarHBondContact O-N 2.93Å; N59-K62 WeakPolarHBondContact OD1-CE 3.29Å; N59-K62 PolarHBondContact OD1-NZ 2.9Å; K62-A64 VanDerWaalsContact C-N 3.3Å; K62-A64 PolarHBondContact O-N 3.26Å; K62-L65 PolarHBondContact O-N 2.84Å |
| 63 | K | 57.9 | Low | 57 | Low | 174 Ų | 174 | 114.7 Ų | 114.7 | 76% | 0.757 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -67.3 | -29.3 | 178.3 | -67.6 | -170 | 177.8 | -172.4 | 0 | 113 | R61 L65 | R61-K63 PolarHBondContact O-N 3.27Å; K63-L65 VanDerWaalsContact C-N 3.32Å |
| 64 | A | 60.6 | Low | 57.6 | Low | 73 Ų | 73 | 105.4 Ų | 105.4 | 60% | 0.603 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -75.3 | -22 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | R61 K62 F66 | R61-A64 PolarHBondContact O-N 3.49Å; K62-A64 VanDerWaalsContact C-N 3.3Å; K62-A64 PolarHBondContact O-N 3.26Å; A64-F66 VanDerWaalsContact C-N 3.31Å; A64-F66 PolarHBondContact O-N 2.94Å |
| 65 | L | 56.1 | Low | 58.4 | Low | 87 Ų | 87 | 99 Ų | 99 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.4 | -15.5 | -179.7 | -80.7 | 171.5 | 0 | 0 | 0 | 113.8 | L57 K62 K63 F67 A68 A69 | L57-L65 HydrophobicContact CD2-CD1 4.27Å; K62-L65 PolarHBondContact O-N 2.84Å; K63-L65 VanDerWaalsContact C-N 3.32Å; L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 PolarHBondContact O-N 2.91Å; L65-A68 HydrophobicContact CD2-CB 4.04Å; L65-A68 CarbonylContact O-C 3.58Å; L65-A68 PolarHBondContact O-N 3.16Å; L65-A69 VanDerWaalsContact O-CB 3.32Å; L65-A69 WeakPolarHBondContact O-CB 3.48Å; L65-A69 PolarHBondContact O-N 3.47Å |
| 66 | F | 54 | Low | 59.3 | Low | 159 Ų | 159 | 100.6 Ų | 100.6 | 70% | 0.697 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.2 | -37.6 | 176.5 | -73.3 | -73.5 | 0 | 0 | 0 | 112.3 | A64 A68 G70 | A64-F66 VanDerWaalsContact C-N 3.31Å; A64-F66 PolarHBondContact O-N 2.94Å; F66-A68 VanDerWaalsContact C-N 3.33Å; F66-G70 PolarHBondContact O-N 2.86Å |
| 67 | F | 56.9 | Low | 59.7 | Low | 185 Ų | 185 | 101.5 Ų | 101.5 | 81% | 0.811 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.5 | -34.1 | 172.2 | -71 | -72.7 | 0 | 0 | 0 | 111.9 | L65 A71 | L65-F67 VanDerWaalsContact C-N 3.34Å; L65-F67 PolarHBondContact O-N 2.91Å; F67-A71 PolarHBondContact O-N 2.74Å |
| 68 | A | 58.7 | Low | 59.9 | Low | 41 Ų | 41 | 99.5 Ų | 99.5 | 34% | 0.339 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.3 | -35.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L65 F66 A71 L72 | L65-A68 HydrophobicContact CD2-CB 4.04Å; L65-A68 CarbonylContact O-C 3.58Å; L65-A68 PolarHBondContact O-N 3.16Å; F66-A68 VanDerWaalsContact C-N 3.33Å; A68-A71 PolarHBondContact O-N 3.15Å; A68-L72 WeakPolarHBondContact O-CG 3.28Å; A68-L72 PolarHBondContact O-N 3.41Å; A68-L72 VanDerWaalsContact O-N 3.11Å |
| 69 | A | 56.9 | Low | 60 | Low | 58 Ų | 58 | 99.3 Ų | 99.3 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.2 | -38.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L65 L72 A73 | L65-A69 VanDerWaalsContact O-CB 3.32Å; L65-A69 WeakPolarHBondContact O-CB 3.48Å; L65-A69 PolarHBondContact O-N 3.47Å; A69-L72 PolarHBondContact O-N 3.49Å; A69-A73 PolarHBondContact O-N 3.44Å |
| 70 | G | 60.9 | Low | 59.8 | Low | 50 Ų | 50 | 101.6 Ų | 101.6 | 52% | 0.515 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.3 | -40.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F66 A73 G74 | F66-G70 PolarHBondContact O-N 2.86Å; G70-A73 PolarHBondContact O-N 2.84Å; G70-G74 PolarHBondContact O-N 3.39Å |
| 71 | A | 62.5 | Low | 59.5 | Low | 61 Ų | 61 | 104.2 Ų | 104.2 | 50% | 0.504 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F67 A68 G74 V75 | F67-A71 PolarHBondContact O-N 2.74Å; A68-A71 PolarHBondContact O-N 3.15Å; A71-G74 PolarHBondContact O-N 3.32Å; A71-V75 VanDerWaalsContact O-CG2 3.29Å; A71-V75 WeakPolarHBondContact O-CG2 2.87Å; A71-V75 PolarHBondContact O-N 3.17Å |
| 72 | L | 61.3 | Low | 59.3 | Low | 127 Ų | 127 | 106 Ų | 106 | 67% | 0.665 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.7 | -36.4 | 177.5 | -70.3 | 175.1 | 0 | 0 | 0 | 112.9 | A68 A69 V75 Y76 | A68-L72 WeakPolarHBondContact O-CG 3.28Å; A68-L72 PolarHBondContact O-N 3.41Å; A68-L72 VanDerWaalsContact O-N 3.11Å; A69-L72 PolarHBondContact O-N 3.49Å; L72-V75 PolarHBondContact O-N 3.49Å; L72-Y76 PolarHBondContact O-N 3.48Å |
| 73 | A | 61 | Low | 59.3 | Low | 52 Ų | 52 | 104.9 Ų | 104.9 | 43% | 0.43 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.8 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A69 G70 Y76 I77 | A69-A73 PolarHBondContact O-N 3.44Å; G70-A73 PolarHBondContact O-N 2.84Å; A73-Y76 PolarHBondContact O-N 2.82Å; A73-I77 WeakPolarHBondContact O-CG1 3.44Å; A73-I77 PolarHBondContact O-N 3.29Å |
| 74 | G | 62.3 | Low | 59.2 | Low | 46 Ų | 46 | 104.6 Ų | 104.6 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | G70 A71 Y76 G78 | G70-G74 PolarHBondContact O-N 3.39Å; A71-G74 PolarHBondContact O-N 3.32Å; G74-Y76 VanDerWaalsContact C-N 3.35Å; G74-G78 PolarHBondContact O-N 3.1Å |
| 75 | V | 62.7 | Low | 59.2 | Low | 101 Ų | 101 | 104.3 Ų | 104.3 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.1 | -37.8 | 173.7 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | A71 L72 S79 | A71-V75 VanDerWaalsContact O-CG2 3.29Å; A71-V75 WeakPolarHBondContact O-CG2 2.87Å; A71-V75 PolarHBondContact O-N 3.17Å; L72-V75 PolarHBondContact O-N 3.49Å; V75-S79 WeakPolarHBondContact O-CB 3.15Å; V75-S79 PolarHBondContact O-N 3.37Å; V75-S79 PolarHBondContact O-OG 2.94Å |
| 76 | Y | 67.2 | Low | 59.4 | Low | 136 Ų | 136 | 107 Ų | 107 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.6 | -39.7 | 178.5 | -171.8 | -101.9 | 0 | 0 | 0 | 113.4 | L72 A73 G74 S79 R80 | L72-Y76 PolarHBondContact O-N 3.48Å; A73-Y76 PolarHBondContact O-N 2.82Å; G74-Y76 VanDerWaalsContact C-N 3.35Å; Y76-S79 VanDerWaalsContact CA-OG 3.32Å; Y76-S79 WeakPolarHBondContact CA-OG 3.22Å; Y76-S79 PolarHBondContact O-OG 3.35Å; Y76-R80 PolarHBondContact O-N 2.88Å; Y76-R80 PolarHBondContact OH-NH2 3.33Å |
| 77 | I | 60.4 | Low | 60 | Low | 104 Ų | 104 | 103.4 Ų | 103.4 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -74.2 | -40.4 | 177.4 | -63.2 | 167.6 | 0 | 0 | 0 | 110.4 | A73 S79 R80 | A73-I77 WeakPolarHBondContact O-CG1 3.44Å; A73-I77 PolarHBondContact O-N 3.29Å; I77-S79 VanDerWaalsContact C-N 3.28Å; I77-S79 PolarHBondContact O-N 3.25Å; I77-R80 PolarHBondContact O-N 3.42Å; I77-R80 VanDerWaalsContact O-N 3.11Å |
| 78 | G | 60.3 | Low | 60.4 | Low | 42 Ų | 42 | 105.9 Ų | 105.9 | 43% | 0.433 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.8 | -30.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G74 R80 M81 | G74-G78 PolarHBondContact O-N 3.1Å; G78-R80 VanDerWaalsContact C-N 3.3Å; G78-R80 PolarHBondContact O-N 3.31Å; G78-M81 PolarHBondContact O-N 2.93Å |
| 79 | S | 59.2 | Low | 61.1 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 53% | 0.531 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -75 | -15.2 | 174.4 | 42.6 | 0 | 0 | 0 | 0 | 113.7 | V75 Y76 I77 | V75-S79 WeakPolarHBondContact O-CB 3.15Å; V75-S79 PolarHBondContact O-N 3.37Å; V75-S79 PolarHBondContact O-OG 2.94Å; Y76-S79 VanDerWaalsContact CA-OG 3.32Å; Y76-S79 WeakPolarHBondContact CA-OG 3.22Å; Y76-S79 PolarHBondContact O-OG 3.35Å; I77-S79 VanDerWaalsContact C-N 3.28Å; I77-S79 PolarHBondContact O-N 3.25Å |
| 80 | R | 57.8 | Low | 61.7 | Low | 171 Ų | 171 | 112.8 Ų | 112.8 | 65% | 0.645 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -9.3 | 171 | -72.7 | -156.5 | -176.1 | -158.8 | 4.1 | 114.6 | Y76 I77 G78 | Y76-R80 PolarHBondContact O-N 2.88Å; Y76-R80 PolarHBondContact OH-NH2 3.33Å; I77-R80 PolarHBondContact O-N 3.42Å; I77-R80 VanDerWaalsContact O-N 3.11Å; G78-R80 VanDerWaalsContact C-N 3.3Å; G78-R80 PolarHBondContact O-N 3.31Å |
| 81 | M | 58.3 | Low | 62.2 | Low | 159 Ų | 159 | 120 Ų | 120 | 78% | 0.783 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -112.5 | 18.3 | -176.9 | -66.7 | -164.3 | -171.8 | 0 | 0 | 114.9 | G78 | G78-M81 PolarHBondContact O-N 2.93Š|
| 82 | R | 55 | Low | 62.5 | Low | 223 Ų | 223 | 120 Ų | 120 | 84% | 0.842 | 59% | 0.593 | S | S | * | * | trans | -127.4 | 133.1 | 170 | -82.4 | -178.3 | 176.4 | 177.3 | -0.4 | 109.6 | ||||
| 83 | S | 55.7 | Low | 63.1 | Low | 77 Ų | 77 | 116.1 Ų | 116.1 | 54% | 0.538 | 57% | 0.573 | S | S | . | * | cis | -152.3 | 138.4 | 2.4 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | V85 | S83-V85 PolarHBondContact O-N 2.85Š| ||
| 84 | H | 55.8 | Low | 63.5 | Low | 168 Ų | 168 | 122.6 Ų | 122.6 | 78% | 0.778 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -48.3 | 126 | 144.7 | -81.3 | -84.7 | 0 | 0 | 0 | 107 | H86 | H84-H86 PolarHBondContact O-CD2 2.89Å; H84-H86 PolarHBondContact O-N 3.22Å |
| 85 | V | 60.5 | Low | 63.9 | Low | 68 Ų | 68 | 125.8 Ų | 125.8 | 41% | 0.412 | 59% | 0.594 | S | S | . | * | trans | -59.6 | 101.8 | -173.5 | -171.4 | 0 | 0 | 0 | 0 | 108.7 | S83 L87 Y96 | S83-V85 PolarHBondContact O-N 2.85Å; V85-L87 HydrophobicContact CB-CD1 4.19Å; V85-L87 HydrophobicContact CG1-CD1 3.41Å; V85-L87 VanDerWaalsContact CG1-CD1 3.41Å; V85-L87 HydrophobicContact CG1-CG 3.99Å; V85-L87 PolarHBondContact O-N 3.49Å; V85-Y96 HydrophobicContact CG1-CE1 4.12Å; V85-Y96 HydrophobicContact CG1-CE2 4.28Å | ||
| 86 | H | 60.7 | Low | 64.6 | Low | 144 Ų | 144 | 123.7 Ų | 123.7 | 67% | 0.667 | 58% | 0.575 | S | S | * | * | trans | -90.7 | 80.2 | 176.5 | -73.5 | -68.9 | 0 | 0 | 0 | 108.7 | H84 R88 | H84-H86 PolarHBondContact O-CD2 2.89Å; H84-H86 PolarHBondContact O-N 3.22Å; H86-R88 PolarHBondContact O-N 3.32Å | ||
| 87 | L | 66.5 | Low | 65.4 | Low | 82 Ų | 82 | 120.4 Ų | 120.4 | 43% | 0.429 | 56% | 0.564 | S | S | . | * | trans | -64.5 | 102.6 | 170.6 | -72.7 | 107.8 | 0 | 0 | 0 | 109.4 | V85 L93 | V85-L87 HydrophobicContact CB-CD1 4.19Å; V85-L87 HydrophobicContact CG1-CD1 3.41Å; V85-L87 VanDerWaalsContact CG1-CD1 3.41Å; V85-L87 HydrophobicContact CG1-CG 3.99Å; V85-L87 PolarHBondContact O-N 3.49Å; L87-L93 HydrophobicContact CD2-CB 4.07Å; L87-L93 HydrophobicContact CD2-CD1 3.61Å; L87-L93 HydrophobicContact CD2-CG 4.38Å | ||
| 88 | R | 65.8 | Low | 66.5 | Low | 238 Ų | 238 | 119 Ų | 119 | 90% | 0.898 | 56% | 0.561 | S | S | * | * | trans | -88.2 | -21.5 | 173.4 | -79.8 | -173.3 | 176.6 | 147.9 | -1.6 | 113.4 | H86 | H86-R88 PolarHBondContact O-N 3.32Š| ||
| 89 | S | 72.2 | Confident | 67.8 | Low | 68 Ų | 68 | 117.1 Ų | 117.1 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -153.5 | 147.7 | -175.1 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | R91 D92 | S89-R91 PolarHBondContact O-N 3.38Å; S89-R91 VanDerWaalsContact O-N 3.13Å; S89-R91 PolarHBondContact OG-N 3.42Å; S89-D92 WeakPolarHBondContact O-CB 3.3Å; S89-D92 PolarHBondContact O-N 3.22Å |
| 90 | Y | 70 | Confident | 69 | Low | 176 Ų | 176 | 118.4 Ų | 118.4 | 69% | 0.69 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -57.7 | -25.2 | 175.7 | -163.6 | -95.7 | 0 | 0 | 0 | 112.8 | D92 L93 | Y90-D92 VanDerWaalsContact C-N 3.26Å; Y90-D92 PolarHBondContact O-N 3.41Å; Y90-L93 HydrophobicContact CD2-CD2 4.3Å; Y90-L93 HydrophobicContact CE2-CD2 3.94Å; Y90-L93 VanDerWaalsContact O-CB 3.28Å; Y90-L93 WeakPolarHBondContact O-CB 3.35Å; Y90-L93 PolarHBondContact O-N 3.49Å |
| 91 | R | 70.6 | Confident | 70.1 | Confident | 202 Ų | 202 | 110.8 Ų | 110.8 | 76% | 0.762 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -66.1 | -27.8 | 174.9 | -72.9 | -151.4 | 178.6 | 177.9 | 2.1 | 113.6 | S89 L93 Y94 | S89-R91 PolarHBondContact O-N 3.38Å; S89-R91 VanDerWaalsContact O-N 3.13Å; S89-R91 PolarHBondContact OG-N 3.42Å; R91-L93 PolarHBondContact O-N 3.01Å; R91-Y94 PolarHBondContact O-N 3.45Å |
| 92 | D | 68.9 | Low | 71 | Confident | 59 Ų | 59 | 109.5 Ų | 109.5 | 32% | 0.316 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -74.9 | -20.8 | 178.5 | -148.4 | 0.7 | 0 | 0 | 0 | 111.4 | S89 Y90 Y94 N95 Y96 | S89-D92 WeakPolarHBondContact O-CB 3.3Å; S89-D92 PolarHBondContact O-N 3.22Å; Y90-D92 VanDerWaalsContact C-N 3.26Å; Y90-D92 PolarHBondContact O-N 3.41Å; D92-Y94 PolarHBondContact O-N 3.18Å; D92-N95 WeakPolarHBondContact O-CB 3.46Å; D92-N95 PolarHBondContact O-N 3.41Å; D92-N95 PolarHBondContact OD1-ND2 2.77Å; D92-N95 VanDerWaalsContact OD1-ND2 3.07Å; D92-Y96 WeakPolarHBondContact O-CD2 3.44Å; D92-Y96 WeakPolarHBondContact O-CE2 3.39Å |
| 93 | L | 73.7 | Confident | 71.8 | Confident | 47 Ų | 47 | 102.8 Ų | 102.8 | 25% | 0.246 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -65.5 | -23.8 | 175.8 | -168.4 | 64.8 | 0 | 0 | 0 | 112.4 | L87 Y90 R91 N95 Y96 L120 | L87-L93 HydrophobicContact CD2-CB 4.07Å; L87-L93 HydrophobicContact CD2-CD1 3.61Å; L87-L93 HydrophobicContact CD2-CG 4.38Å; Y90-L93 HydrophobicContact CD2-CD2 4.3Å; Y90-L93 HydrophobicContact CE2-CD2 3.94Å; Y90-L93 VanDerWaalsContact O-CB 3.28Å; Y90-L93 WeakPolarHBondContact O-CB 3.35Å; Y90-L93 PolarHBondContact O-N 3.49Å; R91-L93 PolarHBondContact O-N 3.01Å; L93-N95 PolarHBondContact O-N 2.77Å; L93-Y96 PolarHBondContact O-N 3.31Å; L93-L120 HydrophobicContact CD1-CD2 3.86Å |
| 94 | Y | 70.7 | Confident | 72.9 | Confident | 188 Ų | 188 | 103.6 Ų | 103.6 | 74% | 0.737 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -64.5 | -18.2 | 175.7 | -83.1 | -84.7 | 0 | 0 | 0 | 113.7 | R91 D92 Y96 | R91-Y94 PolarHBondContact O-N 3.45Å; D92-Y94 PolarHBondContact O-N 3.18Å; Y94-Y96 VanDerWaalsContact C-N 3.32Å |
| 95 | N | 71.1 | Confident | 73.8 | Confident | 113 Ų | 113 | 100.9 Ų | 100.9 | 60% | 0.604 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -82.5 | -12.5 | 176.6 | -65.2 | -37.7 | 0 | 0 | 0 | 113 | D92 L93 | D92-N95 WeakPolarHBondContact O-CB 3.46Å; D92-N95 PolarHBondContact O-N 3.41Å; D92-N95 PolarHBondContact OD1-ND2 2.77Å; D92-N95 VanDerWaalsContact OD1-ND2 3.07Å; L93-N95 PolarHBondContact O-N 2.77Å |
| 96 | Y | 77 | Confident | 74.6 | Confident | 57 Ų | 57 | 103.6 Ų | 103.6 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -113.8 | 131.7 | -176.7 | -58.2 | -89.5 | 0 | 0 | 0 | 109.5 | V85 D92 L93 Y94 C121 | V85-Y96 HydrophobicContact CG1-CE1 4.12Å; V85-Y96 HydrophobicContact CG1-CE2 4.28Å; D92-Y96 WeakPolarHBondContact O-CD2 3.44Å; D92-Y96 WeakPolarHBondContact O-CE2 3.39Å; L93-Y96 PolarHBondContact O-N 3.31Å; Y94-Y96 VanDerWaalsContact C-N 3.32Å; Y96-C121 WeakPolarHBondContact CD1-O 3.09Å |
| 97 | E | 83.1 | Confident | 75.4 | Confident | 66 Ų | 66 | 98.3 Ų | 98.3 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128.8 | 172.1 | -160.4 | 165.9 | -168.4 | 0 | 0 | 108.1 | C121 Y132 C133 K150 | E97-C121 PolarHBondContact O-N 2.92Å; E97-C121 VanDerWaalsContact O-N 3.08Å; E97-Y132 WeakPolarHBondContact OE2-CA 3.29Å; E97-Y132 WeakPolarHBondContact OE2-CD1 3.17Å; E97-C133 HydrophobicContact CG-CB 3.89Å; E97-C133 PolarHBondContact OE2-N 3.43Å; E97-K150 VanDerWaalsContact CD-NZ 3.34Å; E97-K150 IonicContact OE1-NZ 2.89Å; E97-K150 PolarHBondContact OE1-NZ 2.82Å; E97-K150 IonicContact OE2-NZ 2.9Å; E97-K150 PolarHBondContact OE2-NZ 3.5Å |
| 98 | V | 84.4 | Confident | 75.7 | Confident | 76 Ų | 76 | 101.2 Ų | 101.2 | 46% | 0.461 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 127.1 | 174.5 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | Y118 L120 | V98-Y118 HydrophobicContact CG1-CD1 4.16Å; V98-L120 HydrophobicContact CG2-CG 4.46Å |
| 99 | C | 87 | Confident | 76.2 | Confident | 1 Ų | 1 | 95 Ų | 95 | 1% | 0.007 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 142.8 | 174 | -79 | 0 | 0 | 0 | 0 | 111.4 | Y118 F119 C121 C133 | C99-Y118 CarbonylContact O-C 3.54Å; C99-Y118 VanDerWaalsContact O-CA 3.22Å; C99-Y118 WeakPolarHBondContact O-CA 3.48Å; C99-F119 HydrophobicContact CB-CD1 3.92Å; C99-F119 HydrophobicContact CB-CD2 4.05Å; C99-F119 HydrophobicContact CB-CE1 3.42Å; C99-F119 VanDerWaalsContact CB-CE1 3.42Å; C99-F119 HydrophobicContact CB-CE2 3.57Å; C99-F119 HydrophobicContact CB-CG 4.21Å; C99-F119 HydrophobicContact CB-CZ 3.21Å; C99-F119 PolarHBondContact N-O 3.07Å; C99-F119 PolarHBondContact O-N 3.34Å; C99-C121 PolarHBondContact SG-SG 3.38Å; C99-C133 WeakPolarHBondContact CA-SG 3.3Å; C99-C133 HydrophobicContact CB-CB 4.22Å; C99-C133 WeakPolarHBondContact CB-SG 3.47Å; C99-C133 WeakPolarHBondContact SG-CA 3.27Å; C99-C133 WeakPolarHBondContact SG-CB 3.19Å; C99-C133 CovalentContact SG-SG 2.02Å; C99-C133 PolarHBondContact SG-SG 2.86Å |
| 100 | E | 85.2 | Confident | 76.4 | Confident | 104 Ų | 104 | 95 Ų | 95 | 49% | 0.486 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 129.4 | 164.1 | -82.8 | 173.7 | -158.8 | 0 | 0 | 109.9 | Y118 W135 G142 | E100-Y118 HydrophobicContact CG-CD1 3.63Å; E100-Y118 HydrophobicContact CG-CE1 3.3Å; E100-W135 HydrophobicContact CB-CH2 4.41Å; E100-W135 HydrophobicContact CB-CZ3 3.84Å; E100-G142 WeakPolarHBondContact O-CA 2.99Å; E100-G142 PolarHBondContact O-N 3.43Å |
| 101 | G | 80.5 | Confident | 76.8 | Confident | 10 Ų | 10 | 89 Ų | 89 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.1 | 151.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R103 S117 | G101-R103 PolarHBondContact O-N 2.8Å; G101-S117 PolarHBondContact N-O 3.4Å; G101-S117 CarbonylContact O-C 3.54Å; G101-S117 WeakPolarHBondContact O-CA 3.38Å; G101-S117 VanDerWaalsContact O-O 3.11Å |
| 102 | Q | 75.7 | Confident | 77 | Confident | 132 Ų | 132 | 84.5 Ų | 84.5 | 62% | 0.617 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 106.2 | -178.2 | -170.4 | 175 | -0.8 | 0 | 0 | 109.7 | Y116 M141 | Q102-Y116 WeakPolarHBondContact CA-O 3.33Å; Q102-M141 HydrophobicContact CB-SD 4.03Å |
| 103 | R | 72.9 | Confident | 77.6 | Confident | 82 Ų | 82 | 86.3 Ų | 86.3 | 31% | 0.309 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132.5 | 173.8 | -65 | -52 | -164.3 | 101.1 | 5 | 110.7 | G101 T115 Y116 F119 D123 | G101-R103 PolarHBondContact O-N 2.8Å; R103-T115 CarbonylContact O-C 3.51Å; R103-T115 WeakPolarHBondContact O-CA 3.32Å; R103-Y116 PolarHBondContact N-O 3.46Å; R103-Y116 PolarHBondContact O-N 2.9Å; R103-F119 HydrophobicContact CB-CB 4.48Å; R103-F119 HydrophobicContact CG-CB 3.89Å; R103-F119 HydrophobicContact CG-CD1 3.6Å; R103-F119 HydrophobicContact CG-CE1 4.27Å; R103-F119 HydrophobicContact CG-CG 3.75Å; R103-D123 IonicContact CZ-OD2 3.1Å; R103-D123 IonicContact NH1-OD1 3.53Å; R103-D123 IonicContact NH1-OD2 2.62Å; R103-D123 PolarHBondContact NH1-OD2 3.49Å; R103-D123 IonicContact NH2-OD2 2.82Å; R103-D123 PolarHBondContact NH2-OD2 3.44Å |
| 104 | T | 78.4 | Confident | 77.8 | Confident | 95 Ų | 95 | 90 Ų | 90 | 58% | 0.583 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 113.1 | 178.1 | 63.3 | 0 | 0 | 0 | 0 | 109 | R114 T115 | T104-R114 WeakPolarHBondContact CA-O 3.27Å; T104-T115 HydrophobicContact CG2-CG2 3.47Å; T104-T115 VanDerWaalsContact CG2-CG2 3.47Å |
| 105 | E | 75.1 | Confident | 78.3 | Confident | 110 Ų | 110 | 85.2 Ų | 85.2 | 51% | 0.514 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.8 | 172 | -67 | -173.9 | 177.8 | 0 | 0 | 109.2 | I107 T113 R114 Y116 | E105-I107 PolarHBondContact O-N 2.85Å; E105-T113 WeakPolarHBondContact O-CA 3.44Å; E105-R114 PolarHBondContact N-O 3.2Å; E105-R114 PolarHBondContact O-N 3.15Å; E105-Y116 HydrophobicContact CB-CE2 4.37Å |
| 106 | F | 76.9 | Confident | 78.7 | Confident | 126 Ų | 126 | 84.5 Ų | 84.5 | 55% | 0.553 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 111.6 | 171.2 | -175.6 | -100.2 | 0 | 0 | 0 | 108.5 | N108 G111 T113 | F106-N108 VanDerWaalsContact CD1-OD1 3.24Å; F106-N108 WeakPolarHBondContact CD1-OD1 3.07Å; F106-N108 WeakPolarHBondContact CE1-OD1 3.38Å; F106-N108 PolarHBondContact O-N 3.42Å; F106-G111 WeakPolarHBondContact CE2-O 3.5Å; F106-T113 HydrophobicContact CD2-CG2 3.83Å |
| 107 | I | 77.7 | Confident | 79 | Confident | 32 Ų | 32 | 85.2 Ų | 85.2 | 16% | 0.164 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 101.8 | 179.5 | -62 | -179.4 | 0 | 0 | 0 | 107.4 | E105 S109 T110 G111 M112 R114 | E105-I107 PolarHBondContact O-N 2.85Å; I107-S109 WeakPolarHBondContact CG2-OG 3.27Å; I107-S109 PolarHBondContact O-N 2.83Å; I107-T110 WeakPolarHBondContact CB-OG1 3.46Å; I107-T110 HydrophobicContact CG2-CG2 4.31Å; I107-T110 WeakPolarHBondContact CG2-OG1 3.46Å; I107-T110 PolarHBondContact O-N 2.83Å; I107-T110 VanDerWaalsContact O-N 3.09Å; I107-G111 PolarHBondContact O-N 2.92Å; I107-M112 PolarHBondContact N-O 3.12Å; I107-M112 VanDerWaalsContact N-O 3.1Å; I107-R114 HydrophobicContact CD1-CB 3.94Å; I107-R114 VanDerWaalsContact CD1-CD 3.41Å; I107-R114 HydrophobicContact CD1-CG 3.58Å |
| 108 | N | 73.2 | Confident | 79.1 | Confident | 144 Ų | 144 | 88 Ų | 88 | 77% | 0.77 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -26 | 178.8 | -81.7 | 3 | 0 | 0 | 0 | 113.5 | F106 | F106-N108 VanDerWaalsContact CD1-OD1 3.24Å; F106-N108 WeakPolarHBondContact CD1-OD1 3.07Å; F106-N108 WeakPolarHBondContact CE1-OD1 3.38Å; F106-N108 PolarHBondContact O-N 3.42Å |
| 109 | S | 75.5 | Confident | 79.1 | Confident | 108 Ų | 108 | 84.9 Ų | 84.9 | 76% | 0.755 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -28.1 | -179.1 | 58.3 | 0 | 0 | 0 | 0 | 114.5 | I107 | I107-S109 WeakPolarHBondContact CG2-OG 3.27Å; I107-S109 PolarHBondContact O-N 2.83Å |
| 110 | T | 76.6 | Confident | 79.1 | Confident | 66 Ų | 66 | 88.1 Ų | 88.1 | 41% | 0.405 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -10.7 | -178.1 | 57 | 0 | 0 | 0 | 0 | 113.1 | I107 M112 | I107-T110 WeakPolarHBondContact CB-OG1 3.46Å; I107-T110 HydrophobicContact CG2-CG2 4.31Å; I107-T110 WeakPolarHBondContact CG2-OG1 3.46Å; I107-T110 PolarHBondContact O-N 2.83Å; I107-T110 VanDerWaalsContact O-N 3.09Å; T110-M112 HydrophobicContact CG2-CE 4.37Å; T110-M112 PolarHBondContact O-N 2.86Å; T110-M112 VanDerWaalsContact O-N 3.14Å; T110-M112 PolarHBondContact OG1-N 3.28Å |
| 111 | G | 78.7 | Confident | 79.1 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 53% | 0.526 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 10.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F106 I107 | F106-G111 WeakPolarHBondContact CE2-O 3.5Å; I107-G111 PolarHBondContact O-N 2.92Å |
| 112 | M | 75.7 | Confident | 79.2 | Confident | 108 Ų | 108 | 84.9 Ų | 84.9 | 53% | 0.532 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 141.2 | -179.1 | -64.1 | -168 | -71.2 | 0 | 0 | 110.2 | I107 T110 | I107-M112 PolarHBondContact N-O 3.12Å; I107-M112 VanDerWaalsContact N-O 3.1Å; T110-M112 HydrophobicContact CG2-CE 4.37Å; T110-M112 PolarHBondContact O-N 2.86Å; T110-M112 VanDerWaalsContact O-N 3.14Å; T110-M112 PolarHBondContact OG1-N 3.28Å |
| 113 | T | 81 | Confident | 79.3 | Confident | 97 Ų | 97 | 81.9 Ų | 81.9 | 60% | 0.595 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 123 | 167.4 | 46.9 | 0 | 0 | 0 | 0 | 108.8 | E105 F106 | E105-T113 WeakPolarHBondContact O-CA 3.44Å; F106-T113 HydrophobicContact CD2-CG2 3.83Å |
| 114 | R | 77.4 | Confident | 79.4 | Confident | 125 Ų | 125 | 80.5 Ų | 80.5 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 131.7 | 170.3 | -77.2 | -161.9 | -177.6 | 157.1 | -7.8 | 109.7 | T104 E105 I107 Y116 | T104-R114 WeakPolarHBondContact CA-O 3.27Å; E105-R114 PolarHBondContact N-O 3.2Å; E105-R114 PolarHBondContact O-N 3.15Å; I107-R114 HydrophobicContact CD1-CB 3.94Å; I107-R114 VanDerWaalsContact CD1-CD 3.41Å; I107-R114 HydrophobicContact CD1-CG 3.58Å; R114-Y116 HydrophobicContact CB-CE2 3.77Å |
| 115 | T | 81.1 | Confident | 79 | Confident | 87 Ų | 87 | 81.4 Ų | 81.4 | 53% | 0.534 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117.1 | 176.3 | 61.5 | 0 | 0 | 0 | 0 | 109.6 | R103 T104 | R103-T115 CarbonylContact O-C 3.51Å; R103-T115 WeakPolarHBondContact O-CA 3.32Å; T104-T115 HydrophobicContact CG2-CG2 3.47Å; T104-T115 VanDerWaalsContact CG2-CG2 3.47Å |
| 116 | Y | 80.1 | Confident | 78.9 | Confident | 97 Ų | 97 | 81.6 Ų | 81.6 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 138.4 | 174.6 | -61.5 | -81.1 | 0 | 0 | 0 | 109 | Q102 R103 E105 R114 Y118 | Q102-Y116 WeakPolarHBondContact CA-O 3.33Å; R103-Y116 PolarHBondContact N-O 3.46Å; R103-Y116 PolarHBondContact O-N 2.9Å; E105-Y116 HydrophobicContact CB-CE2 4.37Å; R114-Y116 HydrophobicContact CB-CE2 3.77Å; Y116-Y118 VanDerWaalsContact C-N 3.29Å |
| 117 | S | 83.4 | Confident | 79 | Confident | 73 Ų | 73 | 78.5 Ų | 78.5 | 51% | 0.51 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -8.3 | 174 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | G101 | G101-S117 PolarHBondContact N-O 3.4Å; G101-S117 CarbonylContact O-C 3.54Å; G101-S117 WeakPolarHBondContact O-CA 3.38Å; G101-S117 VanDerWaalsContact O-O 3.11Å |
| 118 | Y | 84.5 | Confident | 78.8 | Confident | 123 Ų | 123 | 81.3 Ų | 81.3 | 48% | 0.482 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 142.2 | 179.2 | -57 | -86.3 | 0 | 0 | 0 | 109.7 | V98 C99 E100 Y116 | V98-Y118 HydrophobicContact CG1-CD1 4.16Å; C99-Y118 CarbonylContact O-C 3.54Å; C99-Y118 VanDerWaalsContact O-CA 3.22Å; C99-Y118 WeakPolarHBondContact O-CA 3.48Å; E100-Y118 HydrophobicContact CG-CD1 3.63Å; E100-Y118 HydrophobicContact CG-CE1 3.3Å; Y116-Y118 VanDerWaalsContact C-N 3.29Å |
| 119 | F | 84.9 | Confident | 79.1 | Confident | 12 Ų | 12 | 79.5 Ų | 79.5 | 5% | 0.053 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 161.1 | 175.3 | 66.1 | -83.9 | 0 | 0 | 0 | 110.2 | C99 R103 G142 C144 | C99-F119 HydrophobicContact CB-CD1 3.92Å; C99-F119 HydrophobicContact CB-CD2 4.05Å; C99-F119 HydrophobicContact CB-CE1 3.42Å; C99-F119 VanDerWaalsContact CB-CE1 3.42Å; C99-F119 HydrophobicContact CB-CE2 3.57Å; C99-F119 HydrophobicContact CB-CG 4.21Å; C99-F119 HydrophobicContact CB-CZ 3.21Å; C99-F119 PolarHBondContact N-O 3.07Å; C99-F119 PolarHBondContact O-N 3.34Å; R103-F119 HydrophobicContact CB-CB 4.48Å; R103-F119 HydrophobicContact CG-CB 3.89Å; R103-F119 HydrophobicContact CG-CD1 3.6Å; R103-F119 HydrophobicContact CG-CE1 4.27Å; R103-F119 HydrophobicContact CG-CG 3.75Å; F119-G142 WeakPolarHBondContact CE1-O 3.13Å; F119-G142 WeakPolarHBondContact CZ-O 3.46Å; F119-C144 VanDerWaalsContact CE2-SG 3.58Å |
| 120 | L | 85.5 | Confident | 79.5 | Confident | 68 Ų | 68 | 76.2 Ų | 76.2 | 36% | 0.356 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 139.1 | -176.3 | -71.8 | 78 | 0 | 0 | 0 | 110.1 | L93 V98 | L93-L120 HydrophobicContact CD1-CD2 3.86Å; V98-L120 HydrophobicContact CG2-CG 4.46Å |
| 121 | C | 85.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.4 | 173.3 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | Y96 E97 C99 E130 C144 | Y96-C121 WeakPolarHBondContact CD1-O 3.09Å; E97-C121 PolarHBondContact O-N 2.92Å; E97-C121 VanDerWaalsContact O-N 3.08Å; C99-C121 PolarHBondContact SG-SG 3.38Å; C121-E130 WeakPolarHBondContact CB-O 3.3Å; C121-C144 WeakPolarHBondContact CA-SG 3.21Å; C121-C144 HydrophobicContact CB-CB 3.98Å; C121-C144 WeakPolarHBondContact CB-SG 3.47Å; C121-C144 WeakPolarHBondContact SG-CA 3.24Å; C121-C144 WeakPolarHBondContact SG-CB 3.44Å; C121-C144 CovalentContact SG-SG 2.04Å; C121-C144 PolarHBondContact SG-SG 2.62Å |
| 122 | P | 82.6 | Confident | 80.3 | Confident | 46 Ų | 46 | 77.6 Ų | 77.6 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | cis | -85 | 135.4 | 9 | 32.8 | -33.9 | 0 | 0 | 0 | 113.6 | E130 | P122-E130 WeakPolarHBondContact CA-O 3.42Š| ||
| 123 | D | 77.8 | Confident | 80.9 | Confident | 70 Ų | 70 | 73.7 Ų | 73.7 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | trans | -83.1 | -34.3 | 179.7 | 177.8 | 50.5 | 0 | 0 | 0 | 112.1 | R103 | R103-D123 IonicContact CZ-OD2 3.1Å; R103-D123 IonicContact NH1-OD1 3.53Å; R103-D123 IonicContact NH1-OD2 2.62Å; R103-D123 PolarHBondContact NH1-OD2 3.49Å; R103-D123 IonicContact NH2-OD2 2.82Å; R103-D123 PolarHBondContact NH2-OD2 3.44Å | ||
| 124 | N | 74.8 | Confident | 81.2 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | trans | -100.5 | 121.5 | 179.3 | -167.8 | -7.1 | 0 | 0 | 0 | 110.9 | N126 Q127 | N124-N126 PolarHBondContact O-N 3.01Å; N124-N126 VanDerWaalsContact O-N 3.09Å; N124-N126 PolarHBondContact OD1-N 3.38Å; N124-N126 PolarHBondContact OD1-ND2 3.01Å; N124-Q127 HydrophobicContact CB-CB 4.34Å; N124-Q127 PolarHBondContact ND2-OE1 3.11Å; N124-Q127 PolarHBondContact O-N 2.73Å | ||
| 125 | P | 70.5 | Confident | 81.5 | Confident | 114 Ų | 114 | 70.2 Ų | 70.2 | 74% | 0.74 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.1 | 177.9 | 25.9 | -35.8 | 0 | 0 | 0 | 113 | Q127 | P125-Q127 VanDerWaalsContact C-N 3.31Š|
| 126 | N | 74 | Confident | 81.6 | Confident | 114 Ų | 114 | 68.7 Ų | 68.7 | 61% | 0.61 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -14.6 | 177.6 | -58.2 | -64.8 | 0 | 0 | 0 | 113.2 | N124 P128 | N124-N126 PolarHBondContact O-N 3.01Å; N124-N126 VanDerWaalsContact O-N 3.09Å; N124-N126 PolarHBondContact OD1-N 3.38Å; N124-N126 PolarHBondContact OD1-ND2 3.01Å; N126-P128 VanDerWaalsContact C-CD 3.48Å; N126-P128 WeakPolarHBondContact O-CD 3.29Å |
| 127 | Q | 77.4 | Confident | 81.6 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 29% | 0.285 | 36% | 0.356 | S | S | . | . | trans | -128.2 | 67.5 | -173.2 | -64.3 | 170.4 | -57.6 | 0 | 0 | 110.7 | N124 P125 F129 E130 | N124-Q127 HydrophobicContact CB-CB 4.34Å; N124-Q127 PolarHBondContact ND2-OE1 3.11Å; N124-Q127 PolarHBondContact O-N 2.73Å; P125-Q127 VanDerWaalsContact C-N 3.31Å; Q127-F129 HydrophobicContact CB-CE1 4.07Å; Q127-F129 HydrophobicContact CB-CE2 4.1Å; Q127-F129 HydrophobicContact CB-CZ 3.8Å; Q127-F129 HydrophobicContact CG-CE1 4.17Å; Q127-F129 HydrophobicContact CG-CE2 4.27Å; Q127-F129 HydrophobicContact CG-CZ 3.68Å; Q127-F129 PolarHBondContact O-N 3.45Å; Q127-E130 HydrophobicContact CB-CB 4.43Å; Q127-E130 HydrophobicContact CB-CG 3.95Å; Q127-E130 PolarHBondContact NE2-OE1 3.41Å; Q127-E130 PolarHBondContact O-N 3.02Å; Q127-E130 PolarHBondContact OE1-OE1 3.09Å; Q127-E130 PolarHBondContact OE1-OE2 3.32Å | ||
| 128 | P | 75.5 | Confident | 81.4 | Confident | 90 Ų | 90 | 70 Ų | 70 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.5 | -179.1 | 29.3 | -37 | 0 | 0 | 0 | 113.4 | N126 E130 | N126-P128 VanDerWaalsContact C-CD 3.48Å; N126-P128 WeakPolarHBondContact O-CD 3.29Å; P128-E130 VanDerWaalsContact C-N 3.31Å |
| 129 | F | 79 | Confident | 81.2 | Confident | 107 Ų | 107 | 67.8 Ų | 67.8 | 47% | 0.469 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -14.7 | 175.9 | 50.5 | -95.5 | 0 | 0 | 0 | 112.9 | Q127 K131 | Q127-F129 HydrophobicContact CB-CE1 4.07Å; Q127-F129 HydrophobicContact CB-CE2 4.1Å; Q127-F129 HydrophobicContact CB-CZ 3.8Å; Q127-F129 HydrophobicContact CG-CE1 4.17Å; Q127-F129 HydrophobicContact CG-CE2 4.27Å; Q127-F129 HydrophobicContact CG-CZ 3.68Å; Q127-F129 PolarHBondContact O-N 3.45Å; F129-K131 PolarHBondContact O-N 3.49Å |
| 130 | E | 84.2 | Confident | 80.9 | Confident | 38 Ų | 38 | 69.4 Ų | 69.4 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | trans | -84.7 | 55.5 | 178.1 | -63.4 | -180 | -178.6 | 0 | 0 | 111.6 | C121 P122 Q127 P128 Y132 C144 C145 | C121-E130 WeakPolarHBondContact CB-O 3.3Å; P122-E130 WeakPolarHBondContact CA-O 3.42Å; Q127-E130 HydrophobicContact CB-CB 4.43Å; Q127-E130 HydrophobicContact CB-CG 3.95Å; Q127-E130 PolarHBondContact NE2-OE1 3.41Å; Q127-E130 PolarHBondContact O-N 3.02Å; Q127-E130 PolarHBondContact OE1-OE1 3.09Å; Q127-E130 PolarHBondContact OE1-OE2 3.32Å; P128-E130 VanDerWaalsContact C-N 3.31Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; E130-C144 HydrophobicContact CB-CB 3.98Å; E130-C144 WeakPolarHBondContact O-CB 3.46Å; E130-C145 CarbonylContact C-O 3.52Å; E130-C145 VanDerWaalsContact CA-O 3.3Å; E130-C145 WeakPolarHBondContact CA-O 3.48Å | ||
| 131 | K | 85 | Confident | 80.7 | Confident | 96 Ų | 96 | 69.7 Ų | 69.7 | 42% | 0.417 | 39% | 0.385 | S | S | . | . | trans | -86.5 | -4.6 | -178.3 | 67.3 | -179 | -177.1 | 175.5 | 0 | 113.8 | F129 | F129-K131 PolarHBondContact O-N 3.49Š| ||
| 132 | Y | 86 | Confident | 80.7 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 20% | 0.2 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.6 | -173.6 | -61.8 | -75.3 | 0 | 0 | 0 | 112.7 | E97 E130 C144 C145 Y147 K150 | E97-Y132 WeakPolarHBondContact OE2-CA 3.29Å; E97-Y132 WeakPolarHBondContact OE2-CD1 3.17Å; E130-Y132 VanDerWaalsContact C-N 3.33Å; Y132-C144 CarbonylContact O-C 3.56Å; Y132-C144 WeakPolarHBondContact O-CA 3.28Å; Y132-C145 WeakPolarHBondContact CB-O 3.04Å; Y132-C145 PolarHBondContact N-O 3.25Å; Y132-C145 PolarHBondContact O-N 2.98Å; Y132-Y147 HydrophobicContact CD2-CD2 4.44Å; Y132-Y147 HydrophobicContact CE1-CD2 4.42Å; Y132-Y147 AromaticContact CE2-CD2 3.67Å; Y132-Y147 HydrophobicContact CE2-CD2 3.67Å; Y132-Y147 HydrophobicContact CE2-CG 4.13Å; Y132-Y147 AromaticContact CZ-CD2 3.62Å; Y132-K150 HydrophobicContact CD1-CD 3.66Å; Y132-K150 HydrophobicContact CE1-CD 4.34Å; Y132-K150 HydrophobicContact CG-CD 3.8Å |
| 133 | C | 88.5 | Confident | 80.8 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 18% | 0.176 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 120.9 | 173.7 | -157.6 | 0 | 0 | 0 | 0 | 112 | E97 C99 | E97-C133 HydrophobicContact CG-CB 3.89Å; E97-C133 PolarHBondContact OE2-N 3.43Å; C99-C133 WeakPolarHBondContact CA-SG 3.3Å; C99-C133 HydrophobicContact CB-CB 4.22Å; C99-C133 WeakPolarHBondContact CB-SG 3.47Å; C99-C133 WeakPolarHBondContact SG-CA 3.27Å; C99-C133 WeakPolarHBondContact SG-CB 3.19Å; C99-C133 CovalentContact SG-SG 2.02Å; C99-C133 PolarHBondContact SG-SG 2.86Å |
| 134 | C | 87.5 | Confident | 81.2 | Confident | 12 Ų | 12 | 67 Ų | 67 | 8% | 0.081 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.3 | 167.2 | -64 | 0 | 0 | 0 | 0 | 110.2 | G142 A143 C145 | C134-G142 CarbonylContact O-C 3.13Å; C134-G142 VanDerWaalsContact O-CA 3.26Å; C134-G142 WeakPolarHBondContact O-CA 3.32Å; C134-A143 PolarHBondContact N-O 3.01Å; C134-A143 PolarHBondContact O-N 2.92Å; C134-C145 HydrophobicContact CB-CB 4.26Å; C134-C145 WeakPolarHBondContact CB-SG 3.45Å; C134-C145 WeakPolarHBondContact SG-CB 3.48Å; C134-C145 CovalentContact SG-SG 2.03Å; C134-C145 PolarHBondContact SG-SG 2.95Å |
| 135 | W | 84.3 | Confident | 81.8 | Confident | 137 Ų | 137 | 65.2 Ų | 65.2 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.4 | 167.3 | -164.4 | -101.7 | 0 | 0 | 0 | 110.3 | E100 G140 | E100-W135 HydrophobicContact CB-CH2 4.41Å; E100-W135 HydrophobicContact CB-CZ3 3.84Å; W135-G140 WeakPolarHBondContact CZ2-O 3.33Å |
| 136 | D | 83.1 | Confident | 82.6 | Confident | 55 Ų | 55 | 61 Ų | 61 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 112.3 | 170.4 | -175.7 | 0.6 | 0 | 0 | 0 | 109.9 | T138 T139 G140 M141 | D136-T138 VanDerWaalsContact CG-OG1 3.22Å; D136-T138 PolarHBondContact O-N 3.48Å; D136-T138 PolarHBondContact OD1-N 3.14Å; D136-T138 PolarHBondContact OD1-OG1 2.72Å; D136-T138 PolarHBondContact OD2-OG1 3.06Å; D136-T138 VanDerWaalsContact OD2-OG1 3.06Å; D136-T139 PolarHBondContact O-N 2.98Å; D136-T139 PolarHBondContact OD2-OG1 3.4Å; D136-G140 PolarHBondContact O-N 3.22Å; D136-M141 PolarHBondContact N-O 3.02Å |
| 137 | S | 79.3 | Confident | 83.1 | Confident | 80 Ų | 80 | 61 Ų | 61 | 56% | 0.559 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23 | 178.1 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 138 | T | 79.2 | Confident | 83.2 | Confident | 116 Ų | 116 | 63.7 Ų | 63.7 | 71% | 0.712 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -37.3 | -177.4 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | D136 | D136-T138 VanDerWaalsContact CG-OG1 3.22Å; D136-T138 PolarHBondContact O-N 3.48Å; D136-T138 PolarHBondContact OD1-N 3.14Å; D136-T138 PolarHBondContact OD1-OG1 2.72Å; D136-T138 PolarHBondContact OD2-OG1 3.06Å; D136-T138 VanDerWaalsContact OD2-OG1 3.06Å |
| 139 | T | 79.9 | Confident | 83.5 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 48% | 0.479 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -20.4 | -175.7 | -50.5 | 0 | 0 | 0 | 0 | 112.1 | D136 M141 | D136-T139 PolarHBondContact O-N 2.98Å; D136-T139 PolarHBondContact OD2-OG1 3.4Å; T139-M141 HydrophobicContact CG2-CB 4.18Å; T139-M141 HydrophobicContact CG2-CE 3.25Å; T139-M141 HydrophobicContact CG2-CG 4.21Å; T139-M141 PolarHBondContact O-N 3.01Å |
| 140 | G | 79.4 | Confident | 83.7 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 46% | 0.464 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 18.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | W135 D136 | W135-G140 WeakPolarHBondContact CZ2-O 3.33Å; D136-G140 PolarHBondContact O-N 3.22Å |
| 141 | M | 81.5 | Confident | 83.2 | Confident | 74 Ų | 74 | 63 Ų | 63 | 37% | 0.365 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.6 | 179.6 | -63.4 | -167.5 | -77.6 | 0 | 0 | 109 | Q102 D136 T139 | Q102-M141 HydrophobicContact CB-SD 4.03Å; D136-M141 PolarHBondContact N-O 3.02Å; T139-M141 HydrophobicContact CG2-CB 4.18Å; T139-M141 HydrophobicContact CG2-CE 3.25Å; T139-M141 HydrophobicContact CG2-CG 4.21Å; T139-M141 PolarHBondContact O-N 3.01Å |
| 142 | G | 84.8 | Confident | 82.7 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 146.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E100 F119 C134 | E100-G142 WeakPolarHBondContact O-CA 2.99Å; E100-G142 PolarHBondContact O-N 3.43Å; F119-G142 WeakPolarHBondContact CE1-O 3.13Å; F119-G142 WeakPolarHBondContact CZ-O 3.46Å; C134-G142 CarbonylContact O-C 3.13Å; C134-G142 VanDerWaalsContact O-CA 3.26Å; C134-G142 WeakPolarHBondContact O-CA 3.32Å |
| 143 | A | 84.8 | Confident | 81.9 | Confident | 40 Ų | 40 | 66.4 Ų | 66.4 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.3 | C134 | C134-A143 PolarHBondContact N-O 3.01Å; C134-A143 PolarHBondContact O-N 2.92Å |
| 144 | C | 87.1 | Confident | 80.7 | Confident | 14 Ų | 14 | 73.4 Ų | 73.4 | 10% | 0.095 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.7 | 172.2 | -63.1 | 0 | 0 | 0 | 0 | 110 | F119 C121 E130 Y132 | F119-C144 VanDerWaalsContact CE2-SG 3.58Å; C121-C144 WeakPolarHBondContact CA-SG 3.21Å; C121-C144 HydrophobicContact CB-CB 3.98Å; C121-C144 WeakPolarHBondContact CB-SG 3.47Å; C121-C144 WeakPolarHBondContact SG-CA 3.24Å; C121-C144 WeakPolarHBondContact SG-CB 3.44Å; C121-C144 CovalentContact SG-SG 2.04Å; C121-C144 PolarHBondContact SG-SG 2.62Å; E130-C144 HydrophobicContact CB-CB 3.98Å; E130-C144 WeakPolarHBondContact O-CB 3.46Å; Y132-C144 CarbonylContact O-C 3.56Å; Y132-C144 WeakPolarHBondContact O-CA 3.28Å |
| 145 | C | 87.6 | Confident | 79.5 | Confident | 16 Ų | 16 | 75.7 Ų | 75.7 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 165.2 | 172.1 | -40.3 | 0 | 0 | 0 | 0 | 113.2 | E130 Y132 C134 V149 | E130-C145 CarbonylContact C-O 3.52Å; E130-C145 VanDerWaalsContact CA-O 3.3Å; E130-C145 WeakPolarHBondContact CA-O 3.48Å; Y132-C145 WeakPolarHBondContact CB-O 3.04Å; Y132-C145 PolarHBondContact N-O 3.25Å; Y132-C145 PolarHBondContact O-N 2.98Å; C134-C145 HydrophobicContact CB-CB 4.26Å; C134-C145 WeakPolarHBondContact CB-SG 3.45Å; C134-C145 WeakPolarHBondContact SG-CB 3.48Å; C134-C145 CovalentContact SG-SG 2.03Å; C134-C145 PolarHBondContact SG-SG 2.95Å; C145-V149 HydrophobicContact CB-CB 3.69Å; C145-V149 HydrophobicContact CB-CG1 3.9Å; C145-V149 HydrophobicContact CB-CG2 4.32Å |
| 146 | S | 87.6 | Confident | 78.3 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 18% | 0.175 | 39% | 0.389 | C | S | . | . | trans | -66.1 | 160.4 | 165.7 | -167.4 | 0 | 0 | 0 | 0 | 112.2 | D148 V149 K150 | S146-D148 PolarHBondContact O-N 2.98Å; S146-V149 PolarHBondContact O-N 3.19Å; S146-V149 VanDerWaalsContact O-N 3.15Å; S146-K150 PolarHBondContact O-N 3.36Å | ||
| 147 | Y | 82.9 | Confident | 77.3 | Confident | 114 Ų | 114 | 75.1 Ų | 75.1 | 45% | 0.447 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -52.9 | -40.3 | 174.8 | -174.5 | -106.5 | 0 | 0 | 0 | 113.1 | Y132 V149 K150 M151 | Y132-Y147 HydrophobicContact CD2-CD2 4.44Å; Y132-Y147 HydrophobicContact CE1-CD2 4.42Å; Y132-Y147 AromaticContact CE2-CD2 3.67Å; Y132-Y147 HydrophobicContact CE2-CD2 3.67Å; Y132-Y147 HydrophobicContact CE2-CG 4.13Å; Y132-Y147 AromaticContact CZ-CD2 3.62Å; Y147-V149 VanDerWaalsContact C-N 3.28Å; Y147-V149 PolarHBondContact O-N 3.4Å; Y147-K150 WeakPolarHBondContact O-CB 3.28Å; Y147-K150 PolarHBondContact O-N 2.98Å; Y147-M151 HydrophobicContact CD1-CG 4.24Å; Y147-M151 HydrophobicContact CE1-CE 4.14Å; Y147-M151 HydrophobicContact CE1-CG 3.89Å; Y147-M151 HydrophobicContact CE2-CE 3.63Å; Y147-M151 HydrophobicContact CE2-CG 4.39Å; Y147-M151 PolarHBondContact O-N 3.41Å; Y147-M151 WeakPolarHBondContact OH-CE 3.5Å |
| 148 | D | 80.3 | Confident | 76.6 | Confident | 118 Ų | 118 | 74.1 Ų | 74.1 | 63% | 0.631 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.9 | -39.9 | -178 | -56.8 | -47.4 | 0 | 0 | 0 | 111.4 | S146 Y152 | S146-D148 PolarHBondContact O-N 2.98Å; D148-Y152 VanDerWaalsContact O-CB 3.28Å; D148-Y152 WeakPolarHBondContact O-CB 3.05Å; D148-Y152 PolarHBondContact O-N 2.88Å |
| 149 | V | 82.1 | Confident | 76.3 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.6 | -38.4 | 178 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | C145 S146 Y147 M151 Y152 S153 | C145-V149 HydrophobicContact CB-CB 3.69Å; C145-V149 HydrophobicContact CB-CG1 3.9Å; C145-V149 HydrophobicContact CB-CG2 4.32Å; S146-V149 PolarHBondContact O-N 3.19Å; S146-V149 VanDerWaalsContact O-N 3.15Å; Y147-V149 VanDerWaalsContact C-N 3.28Å; Y147-V149 PolarHBondContact O-N 3.4Å; V149-M151 VanDerWaalsContact C-N 3.3Å; V149-M151 PolarHBondContact O-N 3.48Å; V149-Y152 PolarHBondContact O-N 3.01Å; V149-S153 VanDerWaalsContact O-CB 3.3Å; V149-S153 WeakPolarHBondContact O-CB 3.3Å; V149-S153 PolarHBondContact O-N 2.72Å |
| 150 | K | 82.1 | Confident | 76.2 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 27% | 0.265 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.8 | -47 | 173.6 | -170.3 | -178.5 | -159.6 | 157.2 | 0 | 110.7 | E97 Y132 S146 Y147 S153 H154 | E97-K150 VanDerWaalsContact CD-NZ 3.34Å; E97-K150 IonicContact OE1-NZ 2.89Å; E97-K150 PolarHBondContact OE1-NZ 2.82Å; E97-K150 IonicContact OE2-NZ 2.9Å; E97-K150 PolarHBondContact OE2-NZ 3.5Å; Y132-K150 HydrophobicContact CD1-CD 3.66Å; Y132-K150 HydrophobicContact CE1-CD 4.34Å; Y132-K150 HydrophobicContact CG-CD 3.8Å; S146-K150 PolarHBondContact O-N 3.36Å; Y147-K150 WeakPolarHBondContact O-CB 3.28Å; Y147-K150 PolarHBondContact O-N 2.98Å; K150-S153 PolarHBondContact O-N 2.87Å; K150-H154 PolarHBondContact O-N 3.44Å; K150-H154 VanDerWaalsContact O-N 3.14Å |
| 151 | M | 75.5 | Confident | 76.2 | Confident | 88 Ų | 88 | 74.2 Ų | 74.2 | 43% | 0.433 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 177.8 | -73.8 | -60.2 | 180 | 0 | 0 | 112.2 | Y147 V149 S155 | Y147-M151 HydrophobicContact CD1-CG 4.24Å; Y147-M151 HydrophobicContact CE1-CE 4.14Å; Y147-M151 HydrophobicContact CE1-CG 3.89Å; Y147-M151 HydrophobicContact CE2-CE 3.63Å; Y147-M151 HydrophobicContact CE2-CG 4.39Å; Y147-M151 PolarHBondContact O-N 3.41Å; Y147-M151 WeakPolarHBondContact OH-CE 3.5Å; V149-M151 VanDerWaalsContact C-N 3.3Å; V149-M151 PolarHBondContact O-N 3.48Å; M151-S155 WeakPolarHBondContact O-CB 3.3Å; M151-S155 PolarHBondContact O-N 2.89Å |
| 152 | Y | 72.6 | Confident | 76.2 | Confident | 165 Ų | 165 | 72.7 Ų | 72.7 | 65% | 0.647 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.7 | -36.8 | 177.4 | -168.6 | -97.2 | 0 | 0 | 0 | 112.8 | D148 V149 G156 | D148-Y152 VanDerWaalsContact O-CB 3.28Å; D148-Y152 WeakPolarHBondContact O-CB 3.05Å; D148-Y152 PolarHBondContact O-N 2.88Å; V149-Y152 PolarHBondContact O-N 3.01Å; Y152-G156 WeakPolarHBondContact O-CA 3.32Å; Y152-G156 PolarHBondContact O-N 3.11Å |
| 153 | S | 69.2 | Low | 76.2 | Confident | 54 Ų | 54 | 75.9 Ų | 75.9 | 38% | 0.378 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71 | -45.1 | -179.3 | -165 | 0 | 0 | 0 | 0 | 111.3 | V149 K150 | V149-S153 VanDerWaalsContact O-CB 3.3Å; V149-S153 WeakPolarHBondContact O-CB 3.3Å; V149-S153 PolarHBondContact O-N 2.72Å; K150-S153 PolarHBondContact O-N 2.87Å |
| 154 | H | 64.8 | Low | 76.3 | Confident | 173 Ų | 173 | 78.8 Ų | 78.8 | 80% | 0.801 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -81 | -31 | -176.9 | -159.4 | -58.2 | 0 | 0 | 0 | 113.6 | K150 | K150-H154 PolarHBondContact O-N 3.44Å; K150-H154 VanDerWaalsContact O-N 3.14Å |
| 155 | S | 60.9 | Low | 76.4 | Confident | 60 Ų | 60 | 83.4 Ų | 83.4 | 42% | 0.42 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -103.4 | -26.9 | 178.6 | -75 | 0 | 0 | 0 | 0 | 114.1 | M151 R157 V159 | M151-S155 WeakPolarHBondContact O-CB 3.3Å; M151-S155 PolarHBondContact O-N 2.89Å; S155-R157 PolarHBondContact O-N 3.38Å; S155-V159 WeakPolarHBondContact O-CB 3.18Å; S155-V159 VanDerWaalsContact O-CG2 3.24Å; S155-V159 WeakPolarHBondContact O-CG2 3.24Å; S155-V159 PolarHBondContact O-N 3.49Å |
| 156 | G | 59 | Low | 76.4 | Confident | 9 Ų | 9 | 84.6 Ų | 84.6 | 9% | 0.093 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -72 | -36.7 | -161.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y152 V160 | Y152-G156 WeakPolarHBondContact O-CA 3.32Å; Y152-G156 PolarHBondContact O-N 3.11Å; G156-V160 WeakPolarHBondContact O-CB 3.4Å; G156-V160 WeakPolarHBondContact O-CG2 3.42Å; G156-V160 PolarHBondContact O-N 3Å |
| 157 | R | 63.1 | Low | 76.5 | Confident | 172 Ų | 172 | 86.5 Ų | 86.5 | 65% | 0.649 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -78 | -48.3 | -176.4 | -67.8 | -175.4 | -179.4 | 152.7 | 0.6 | 112.6 | S155 V161 | S155-R157 PolarHBondContact O-N 3.38Å; R157-V161 WeakPolarHBondContact O-CB 3.48Å; R157-V161 WeakPolarHBondContact O-CG2 3.42Å; R157-V161 PolarHBondContact O-N 3.39Å |
| 158 | G | 64.2 | Low | 76.8 | Confident | 59 Ų | 59 | 86.3 Ų | 86.3 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -73.3 | -41.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G162 | G158-G162 PolarHBondContact O-N 3.49Å |
| 159 | V | 72.9 | Confident | 77.3 | Confident | 86 Ų | 86 | 86.3 Ų | 86.3 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.1 | -39.8 | -177.2 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | S155 G162 T163 | S155-V159 WeakPolarHBondContact O-CB 3.18Å; S155-V159 VanDerWaalsContact O-CG2 3.24Å; S155-V159 WeakPolarHBondContact O-CG2 3.24Å; S155-V159 PolarHBondContact O-N 3.49Å; V159-G162 PolarHBondContact O-N 3Å; V159-T163 HydrophobicContact CG1-CG2 4Å; V159-T163 VanDerWaalsContact O-CB 3.27Å; V159-T163 WeakPolarHBondContact O-CB 3.08Å; V159-T163 WeakPolarHBondContact O-CG2 3.44Å; V159-T163 PolarHBondContact O-N 3.15Å; V159-T163 PolarHBondContact O-OG1 2.9Å |
| 160 | V | 77.2 | Confident | 77.6 | Confident | 70 Ų | 70 | 87 Ų | 87 | 42% | 0.424 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 177.8 | 177 | 0 | 0 | 0 | 0 | 110.4 | G156 G162 T163 L164 | G156-V160 WeakPolarHBondContact O-CB 3.4Å; G156-V160 WeakPolarHBondContact O-CG2 3.42Å; G156-V160 PolarHBondContact O-N 3Å; V160-G162 PolarHBondContact O-N 3.07Å; V160-T163 WeakPolarHBondContact CA-OG1 3.35Å; V160-T163 PolarHBondContact O-N 3.26Å; V160-T163 PolarHBondContact O-OG1 3.41Å; V160-L164 HydrophobicContact CG1-CD1 3.96Å; V160-L164 HydrophobicContact CG1-CG 4.48Å; V160-L164 WeakPolarHBondContact O-CB 3.42Å; V160-L164 VanDerWaalsContact O-CG 3.24Å; V160-L164 WeakPolarHBondContact O-CG 2.88Å; V160-L164 PolarHBondContact O-N 2.77Å |
| 161 | V | 80.9 | Confident | 78 | Confident | 84 Ų | 84 | 89 Ų | 89 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 177.8 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | R157 L164 L165 | R157-V161 WeakPolarHBondContact O-CB 3.48Å; R157-V161 WeakPolarHBondContact O-CG2 3.42Å; R157-V161 PolarHBondContact O-N 3.39Å; V161-L164 PolarHBondContact O-N 2.76Å; V161-L165 HydrophobicContact CG1-CD1 3.97Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 3.47Å |
| 162 | G | 81.7 | Confident | 78.8 | Confident | 42 Ų | 42 | 90.2 Ų | 90.2 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G158 V159 V160 G166 | G158-G162 PolarHBondContact O-N 3.49Å; V159-G162 PolarHBondContact O-N 3Å; V160-G162 PolarHBondContact O-N 3.07Å; G162-G166 PolarHBondContact O-N 2.97Å |
| 163 | T | 84.3 | Confident | 79.5 | Confident | 73 Ų | 73 | 85.9 Ų | 85.9 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.2 | -39.5 | 176.6 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | V159 V160 G166 T167 | V159-T163 HydrophobicContact CG1-CG2 4Å; V159-T163 VanDerWaalsContact O-CB 3.27Å; V159-T163 WeakPolarHBondContact O-CB 3.08Å; V159-T163 WeakPolarHBondContact O-CG2 3.44Å; V159-T163 PolarHBondContact O-N 3.15Å; V159-T163 PolarHBondContact O-OG1 2.9Å; V160-T163 WeakPolarHBondContact CA-OG1 3.35Å; V160-T163 PolarHBondContact O-N 3.26Å; V160-T163 PolarHBondContact O-OG1 3.41Å; T163-G166 PolarHBondContact O-N 3.24Å; T163-T167 VanDerWaalsContact O-CB 3.3Å; T163-T167 WeakPolarHBondContact O-CB 3.35Å; T163-T167 WeakPolarHBondContact O-CG2 2.86Å; T163-T167 PolarHBondContact O-N 3.48Å; T163-T167 PolarHBondContact O-OG1 2.9Å |
| 164 | L | 87.2 | Confident | 80.3 | Confident | 100 Ų | 100 | 86.8 Ų | 86.8 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 174.9 | -71.7 | 171.6 | 0 | 0 | 0 | 111.9 | V160 V161 T167 M168 | V160-L164 HydrophobicContact CG1-CD1 3.96Å; V160-L164 HydrophobicContact CG1-CG 4.48Å; V160-L164 WeakPolarHBondContact O-CB 3.42Å; V160-L164 VanDerWaalsContact O-CG 3.24Å; V160-L164 WeakPolarHBondContact O-CG 2.88Å; V160-L164 PolarHBondContact O-N 2.77Å; V161-L164 PolarHBondContact O-N 2.76Å; L164-T167 PolarHBondContact O-OG1 2.89Å; L164-M168 VanDerWaalsContact O-CG 3.28Å; L164-M168 WeakPolarHBondContact O-CG 2.87Å; L164-M168 PolarHBondContact O-N 3.14Å; L164-M168 VanDerWaalsContact O-N 3.09Å |
| 165 | L | 88.3 | Confident | 81.5 | Confident | 112 Ų | 112 | 80.2 Ų | 80.2 | 59% | 0.586 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 176.8 | -72.9 | 168.8 | 0 | 0 | 0 | 112.2 | V161 M168 L169 | V161-L165 HydrophobicContact CG1-CD1 3.97Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 3.47Å; L165-M168 PolarHBondContact O-N 3.07Å; L165-L169 WeakPolarHBondContact O-CG 3.42Å; L165-L169 PolarHBondContact O-N 3.47Å; L165-L169 VanDerWaalsContact O-N 3.14Å |
| 166 | G | 88.3 | Confident | 82.9 | Confident | 40 Ų | 40 | 80.5 Ų | 80.5 | 41% | 0.412 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.5 | -42 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G162 T163 L170 | G162-G166 PolarHBondContact O-N 2.97Å; T163-G166 PolarHBondContact O-N 3.24Å; G166-L170 WeakPolarHBondContact O-CB 3.2Å; G166-L170 PolarHBondContact O-N 3.19Å |
| 167 | T | 89.3 | Confident | 84.3 | Confident | 65 Ų | 65 | 84 Ų | 84 | 40% | 0.399 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 177.1 | 52 | 0 | 0 | 0 | 0 | 112.1 | T163 L164 L170 I171 | T163-T167 VanDerWaalsContact O-CB 3.3Å; T163-T167 WeakPolarHBondContact O-CB 3.35Å; T163-T167 WeakPolarHBondContact O-CG2 2.86Å; T163-T167 PolarHBondContact O-N 3.48Å; T163-T167 PolarHBondContact O-OG1 2.9Å; L164-T167 PolarHBondContact O-OG1 2.89Å; T167-L170 PolarHBondContact O-N 3.26Å; T167-I171 VanDerWaalsContact O-CG1 3.27Å; T167-I171 WeakPolarHBondContact O-CG1 3.42Å; T167-I171 PolarHBondContact O-N 3.04Å |
| 168 | M | 89.3 | Confident | 85.5 | Confident | 111 Ų | 111 | 78.5 Ų | 78.5 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.9 | -74.7 | -65 | 157.4 | 0 | 0 | 112.6 | L164 L165 L170 I171 I172 | L164-M168 VanDerWaalsContact O-CG 3.28Å; L164-M168 WeakPolarHBondContact O-CG 2.87Å; L164-M168 PolarHBondContact O-N 3.14Å; L164-M168 VanDerWaalsContact O-N 3.09Å; L165-M168 PolarHBondContact O-N 3.07Å; M168-L170 VanDerWaalsContact C-N 3.32Å; M168-L170 PolarHBondContact O-N 3.18Å; M168-I171 PolarHBondContact O-N 2.99Å; M168-I172 VanDerWaalsContact O-CG1 3.29Å; M168-I172 WeakPolarHBondContact O-CG1 3.32Å; M168-I172 PolarHBondContact O-N 3.19Å |
| 169 | L | 91 | Very high | 86.7 | Confident | 117 Ų | 117 | 81.8 Ų | 81.8 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.7 | -37 | 176.3 | -68.5 | 175.5 | 0 | 0 | 0 | 112.2 | L165 I172 T173 | L165-L169 WeakPolarHBondContact O-CG 3.42Å; L165-L169 PolarHBondContact O-N 3.47Å; L165-L169 VanDerWaalsContact O-N 3.14Å; L169-I172 PolarHBondContact O-N 3.09Å; L169-T173 WeakPolarHBondContact O-CB 3.04Å; L169-T173 VanDerWaalsContact O-CG2 3.3Å; L169-T173 WeakPolarHBondContact O-CG2 3.13Å; L169-T173 PolarHBondContact O-N 3.43Å; L169-T173 PolarHBondContact O-OG1 3.22Å |
| 170 | L | 88.2 | Confident | 87.5 | Confident | 86 Ų | 86 | 80.6 Ų | 80.6 | 45% | 0.45 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 174.4 | -169.5 | 166.7 | 0 | 0 | 0 | 110.8 | G166 T167 M168 I172 T173 F174 | G166-L170 WeakPolarHBondContact O-CB 3.2Å; G166-L170 PolarHBondContact O-N 3.19Å; T167-L170 PolarHBondContact O-N 3.26Å; M168-L170 VanDerWaalsContact C-N 3.32Å; M168-L170 PolarHBondContact O-N 3.18Å; L170-I172 VanDerWaalsContact C-N 3.35Å; L170-I172 PolarHBondContact O-N 3.24Å; L170-T173 WeakPolarHBondContact CA-OG1 3.15Å; L170-T173 PolarHBondContact O-N 2.95Å; L170-T173 PolarHBondContact O-OG1 3.02Å; L170-F174 HydrophobicContact CD2-CB 4.28Å; L170-F174 WeakPolarHBondContact O-CB 3.26Å; L170-F174 PolarHBondContact O-N 3.05Å |
| 171 | I | 91 | Very high | 88 | Confident | 102 Ų | 102 | 79.9 Ų | 79.9 | 52% | 0.523 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | -179.7 | -67.4 | 163.8 | 0 | 0 | 0 | 111.2 | T167 M168 G175 | T167-I171 VanDerWaalsContact O-CG1 3.27Å; T167-I171 WeakPolarHBondContact O-CG1 3.42Å; T167-I171 PolarHBondContact O-N 3.04Å; M168-I171 PolarHBondContact O-N 2.99Å; I171-G175 WeakPolarHBondContact O-CA 2.99Å; I171-G175 PolarHBondContact O-N 3.08Å |
| 172 | I | 91.2 | Very high | 88.3 | Confident | 114 Ų | 114 | 81.9 Ų | 81.9 | 59% | 0.585 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65 | -48.1 | 179 | -67.7 | 165.2 | 0 | 0 | 0 | 111 | M168 L169 L170 S176 | M168-I172 VanDerWaalsContact O-CG1 3.29Å; M168-I172 WeakPolarHBondContact O-CG1 3.32Å; M168-I172 PolarHBondContact O-N 3.19Å; L169-I172 PolarHBondContact O-N 3.09Å; L170-I172 VanDerWaalsContact C-N 3.35Å; L170-I172 PolarHBondContact O-N 3.24Å; I172-S176 VanDerWaalsContact O-CB 3.27Å; I172-S176 WeakPolarHBondContact O-CB 3.28Å; I172-S176 PolarHBondContact O-N 3.31Å |
| 173 | T | 87.6 | Confident | 88.6 | Confident | 75 Ų | 75 | 87 Ų | 87 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.6 | -49.4 | 178.6 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | L169 L170 G175 S176 T177 | L169-T173 WeakPolarHBondContact O-CB 3.04Å; L169-T173 VanDerWaalsContact O-CG2 3.3Å; L169-T173 WeakPolarHBondContact O-CG2 3.13Å; L169-T173 PolarHBondContact O-N 3.43Å; L169-T173 PolarHBondContact O-OG1 3.22Å; L170-T173 WeakPolarHBondContact CA-OG1 3.15Å; L170-T173 PolarHBondContact O-N 2.95Å; L170-T173 PolarHBondContact O-OG1 3.02Å; T173-G175 PolarHBondContact O-N 2.9Å; T173-S176 WeakPolarHBondContact O-CB 3.38Å; T173-S176 PolarHBondContact O-N 2.99Å; T173-T177 PolarHBondContact O-N 3.42Å; T173-T177 PolarHBondContact O-OG1 3.07Å |
| 174 | F | 86.4 | Confident | 88.6 | Confident | 72 Ų | 72 | 87.2 Ų | 87.2 | 32% | 0.316 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 178.9 | -173.9 | -114.7 | 0 | 0 | 0 | 112.9 | Y17 L170 S176 T177 I178 | Y17-F174 HydrophobicContact CD2-CE2 4.41Å; Y17-F174 AromaticContact CE1-CE2 3.81Å; Y17-F174 HydrophobicContact CE1-CE2 3.81Å; Y17-F174 HydrophobicContact CE1-CZ 4.07Å; Y17-F174 HydrophobicContact CE2-CD2 4.41Å; Y17-F174 AromaticContact CE2-CE2 3.5Å; Y17-F174 HydrophobicContact CE2-CE2 3.5Å; Y17-F174 VanDerWaalsContact CE2-CE2 3.5Å; Y17-F174 HydrophobicContact CE2-CZ 4.12Å; Y17-F174 AromaticContact CZ-CE2 3.2Å; Y17-F174 AromaticContact CZ-CZ 3.45Å; Y17-F174 VanDerWaalsContact CZ-CZ 3.45Å; Y17-F174 WeakPolarHBondContact OH-CE2 2.97Å; Y17-F174 WeakPolarHBondContact OH-CZ 3.17Å; L170-F174 HydrophobicContact CD2-CB 4.28Å; L170-F174 WeakPolarHBondContact O-CB 3.26Å; L170-F174 PolarHBondContact O-N 3.05Å; F174-S176 PolarHBondContact O-N 2.03Å; F174-T177 PolarHBondContact O-N 2.82Å; F174-I178 HydrophobicContact CD1-CD1 3.63Å; F174-I178 HydrophobicContact CD2-CD1 4.32Å; F174-I178 HydrophobicContact CE1-CD1 3.12Å; F174-I178 HydrophobicContact CE1-CG1 4.24Å; F174-I178 HydrophobicContact CE2-CD1 3.85Å; F174-I178 HydrophobicContact CE2-CG1 4.11Å; F174-I178 HydrophobicContact CG-CD1 4.18Å; F174-I178 HydrophobicContact CZ-CD1 3.19Å; F174-I178 HydrophobicContact CZ-CG1 3.9Å; F174-I178 WeakPolarHBondContact O-CB 3.32Å; F174-I178 VanDerWaalsContact O-CG1 3.28Å; F174-I178 WeakPolarHBondContact O-CG1 3.41Å; F174-I178 PolarHBondContact O-N 3.45Å |
| 175 | G | 89 | Confident | 88.3 | Confident | 36 Ų | 36 | 87.4 Ų | 87.4 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I171 T173 Y179 | I171-G175 WeakPolarHBondContact O-CA 2.99Å; I171-G175 PolarHBondContact O-N 3.08Å; T173-G175 PolarHBondContact O-N 2.9Å; G175-Y179 WeakPolarHBondContact O-CB 3.22Å; G175-Y179 PolarHBondContact O-N 3.37Å |
| 176 | S | 90 | Very high | 87.8 | Confident | 65 Ų | 65 | 91.1 Ų | 91.1 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | I172 T173 F174 I178 Y179 C180 | I172-S176 VanDerWaalsContact O-CB 3.27Å; I172-S176 WeakPolarHBondContact O-CB 3.28Å; I172-S176 PolarHBondContact O-N 3.31Å; T173-S176 WeakPolarHBondContact O-CB 3.38Å; T173-S176 PolarHBondContact O-N 2.99Å; F174-S176 PolarHBondContact O-N 2.03Å; S176-I178 PolarHBondContact O-N 3.46Å; S176-Y179 PolarHBondContact O-N 2.97Å; S176-C180 VanDerWaalsContact O-CB 3.3Å; S176-C180 WeakPolarHBondContact O-CB 3.47Å; S176-C180 PolarHBondContact O-N 3.28Å; S176-C180 PolarHBondContact O-SG 3.29Å |
| 177 | T | 88.7 | Confident | 87 | Confident | 82 Ų | 82 | 98.7 Ų | 98.7 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 177.4 | -42.8 | 0 | 0 | 0 | 0 | 110.7 | T173 F174 Y179 C180 C181 | T173-T177 PolarHBondContact O-N 3.42Å; T173-T177 PolarHBondContact O-OG1 3.07Å; F174-T177 PolarHBondContact O-N 2.82Å; T177-Y179 VanDerWaalsContact C-N 3.33Å; T177-Y179 PolarHBondContact O-N 3.13Å; T177-C180 PolarHBondContact O-N 2.9Å; T177-C181 WeakPolarHBondContact O-CB 3.5Å; T177-C181 PolarHBondContact O-N 3.06Å; T177-C181 PolarHBondContact O-SG 2.71Å |
| 178 | I | 88.5 | Confident | 86 | Confident | 57 Ų | 57 | 103.3 Ų | 103.3 | 29% | 0.292 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.4 | -48.6 | 175.6 | -72.2 | 166.5 | 0 | 0 | 0 | 110.7 | F174 S176 C180 C181 F182 | F174-I178 HydrophobicContact CD1-CD1 3.63Å; F174-I178 HydrophobicContact CD2-CD1 4.32Å; F174-I178 HydrophobicContact CE1-CD1 3.12Å; F174-I178 HydrophobicContact CE1-CG1 4.24Å; F174-I178 HydrophobicContact CE2-CD1 3.85Å; F174-I178 HydrophobicContact CE2-CG1 4.11Å; F174-I178 HydrophobicContact CG-CD1 4.18Å; F174-I178 HydrophobicContact CZ-CD1 3.19Å; F174-I178 HydrophobicContact CZ-CG1 3.9Å; F174-I178 WeakPolarHBondContact O-CB 3.32Å; F174-I178 VanDerWaalsContact O-CG1 3.28Å; F174-I178 WeakPolarHBondContact O-CG1 3.41Å; F174-I178 PolarHBondContact O-N 3.45Å; S176-I178 PolarHBondContact O-N 3.46Å; I178-C180 PolarHBondContact O-N 2.81Å; I178-C181 PolarHBondContact O-N 3.2Å; I178-F182 HydrophobicContact CG2-CD2 3.32Å; I178-F182 HydrophobicContact CG2-CE2 3.33Å; I178-F182 WeakPolarHBondContact O-CB 3.49Å; I178-F182 WeakPolarHBondContact O-CD2 3.24Å; I178-F182 PolarHBondContact O-N 2.91Å |
| 179 | Y | 90.2 | Very high | 84.9 | Confident | 128 Ų | 128 | 104.6 Ų | 104.6 | 50% | 0.502 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | -178.9 | 177.6 | -102.2 | 0 | 0 | 0 | 112.2 | G175 S176 T177 F182 R183 | G175-Y179 WeakPolarHBondContact O-CB 3.22Å; G175-Y179 PolarHBondContact O-N 3.37Å; S176-Y179 PolarHBondContact O-N 2.97Å; T177-Y179 VanDerWaalsContact C-N 3.33Å; T177-Y179 PolarHBondContact O-N 3.13Å; Y179-F182 PolarHBondContact O-N 2.04Å; Y179-R183 HydrophobicContact CD1-CG 4.39Å; Y179-R183 HydrophobicContact CE1-CG 4.14Å; Y179-R183 HydrophobicContact CE2-CG 4.29Å; Y179-R183 VanDerWaalsContact CZ-NE 3.34Å; Y179-R183 WeakPolarHBondContact O-CB 3.39Å; Y179-R183 VanDerWaalsContact O-CG 3.22Å; Y179-R183 WeakPolarHBondContact O-CG 3.33Å; Y179-R183 PolarHBondContact O-N 2.62Å; Y179-R183 PolarHBondContact OH-NE 2.83Å; Y179-R183 VanDerWaalsContact OH-NE 3.1Å; Y179-R183 PolarHBondContact OH-NH2 3.21Å |
| 180 | C | 89.5 | Confident | 83.4 | Confident | 62 Ų | 62 | 109.1 Ų | 109.1 | 42% | 0.419 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 174.9 | -73.1 | 0 | 0 | 0 | 0 | 111.4 | S176 T177 I178 F182 R183 C184 | S176-C180 VanDerWaalsContact O-CB 3.3Å; S176-C180 WeakPolarHBondContact O-CB 3.47Å; S176-C180 PolarHBondContact O-N 3.28Å; S176-C180 PolarHBondContact O-SG 3.29Å; T177-C180 PolarHBondContact O-N 2.9Å; I178-C180 PolarHBondContact O-N 2.81Å; C180-F182 PolarHBondContact O-N 2.82Å; C180-R183 PolarHBondContact O-N 2.81Å; C180-C184 WeakPolarHBondContact O-CB 3.47Å; C180-C184 PolarHBondContact O-N 3.14Å; C180-C184 PolarHBondContact O-SG 3.24Å |
| 181 | C | 88.1 | Confident | 82.2 | Confident | 55 Ų | 55 | 112.5 Ų | 112.5 | 37% | 0.372 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 176.4 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | T177 I178 C184 K185 | T177-C181 WeakPolarHBondContact O-CB 3.5Å; T177-C181 PolarHBondContact O-N 3.06Å; T177-C181 PolarHBondContact O-SG 2.71Å; I178-C181 PolarHBondContact O-N 3.2Å; C181-C184 PolarHBondContact O-N 2.84Å; C181-K185 WeakPolarHBondContact O-CB 3.45Å; C181-K185 PolarHBondContact O-N 2.82Å |
| 182 | F | 86.5 | Confident | 80.5 | Confident | 126 Ų | 126 | 111.7 Ų | 111.7 | 55% | 0.553 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.9 | -40 | 177.4 | -85.3 | -66 | 0 | 0 | 0 | 112.8 | I178 Y179 C180 K185 R186 | I178-F182 HydrophobicContact CG2-CD2 3.32Å; I178-F182 HydrophobicContact CG2-CE2 3.33Å; I178-F182 WeakPolarHBondContact O-CB 3.49Å; I178-F182 WeakPolarHBondContact O-CD2 3.24Å; I178-F182 PolarHBondContact O-N 2.91Å; Y179-F182 PolarHBondContact O-N 2.04Å; C180-F182 PolarHBondContact O-N 2.82Å; F182-K185 PolarHBondContact O-N 2.02Å; F182-R186 WeakPolarHBondContact O-CG 3.44Å; F182-R186 PolarHBondContact O-N 2.95Å |
| 183 | R | 88.5 | Confident | 79 | Confident | 149 Ų | 149 | 113.8 Ų | 113.8 | 56% | 0.562 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.4 | -45.6 | 174.7 | -76.4 | -96.8 | -178.7 | 166.4 | -5.3 | 111.1 | Y179 C180 R186 R187 | Y179-R183 HydrophobicContact CD1-CG 4.39Å; Y179-R183 HydrophobicContact CE1-CG 4.14Å; Y179-R183 HydrophobicContact CE2-CG 4.29Å; Y179-R183 VanDerWaalsContact CZ-NE 3.34Å; Y179-R183 WeakPolarHBondContact O-CB 3.39Å; Y179-R183 VanDerWaalsContact O-CG 3.22Å; Y179-R183 WeakPolarHBondContact O-CG 3.33Å; Y179-R183 PolarHBondContact O-N 2.62Å; Y179-R183 PolarHBondContact OH-NE 2.83Å; Y179-R183 VanDerWaalsContact OH-NE 3.1Å; Y179-R183 PolarHBondContact OH-NH2 3.21Å; C180-R183 PolarHBondContact O-N 2.81Å; R183-R186 PolarHBondContact O-N 3.46Å; R183-R187 PolarHBondContact O-N 3.25Å |
| 184 | C | 83.8 | Confident | 77.5 | Confident | 77 Ų | 77 | 116.6 Ų | 116.6 | 52% | 0.52 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.5 | -41.7 | 177.1 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | C180 C181 R187 K188 | C180-C184 WeakPolarHBondContact O-CB 3.47Å; C180-C184 PolarHBondContact O-N 3.14Å; C180-C184 PolarHBondContact O-SG 3.24Å; C181-C184 PolarHBondContact O-N 2.84Å; C184-R187 PolarHBondContact O-N 2.94Å; C184-K188 PolarHBondContact O-N 2.73Å |
| 185 | K | 81.8 | Confident | 76 | Confident | 105 Ų | 105 | 118.9 Ų | 118.9 | 46% | 0.457 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.1 | -43.2 | 177.7 | -171.9 | 172 | -171.1 | 159.2 | 0 | 112.4 | C181 F182 R187 K188 E189 | C181-K185 WeakPolarHBondContact O-CB 3.45Å; C181-K185 PolarHBondContact O-N 2.82Å; F182-K185 PolarHBondContact O-N 2.02Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 3.31Å; K185-K188 PolarHBondContact O-N 2.85Å; K185-E189 PolarHBondContact O-N 3.19Å |
| 186 | R | 77.1 | Confident | 74.2 | Confident | 189 Ų | 189 | 121.9 Ų | 121.9 | 71% | 0.713 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.8 | -26.9 | 177.7 | -75.7 | -169.3 | -179.8 | -171.1 | 2 | 113.4 | F182 R183 | F182-R186 WeakPolarHBondContact O-CG 3.44Å; F182-R186 PolarHBondContact O-N 2.95Å; R183-R186 PolarHBondContact O-N 3.46Å |
| 187 | R | 71.3 | Confident | 72.4 | Confident | 199 Ų | 199 | 125.1 Ų | 125.1 | 75% | 0.751 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.8 | -42.7 | 174.3 | -76.5 | -171.2 | 177.7 | -163.9 | 0.3 | 111.9 | R183 C184 K185 E189 R190 E191 | R183-R187 PolarHBondContact O-N 3.25Å; C184-R187 PolarHBondContact O-N 2.94Å; K185-R187 VanDerWaalsContact C-N 3.28Å; K185-R187 PolarHBondContact O-N 3.31Å; R187-E189 VanDerWaalsContact C-N 3.26Å; R187-E189 PolarHBondContact O-N 2.91Å; R187-R190 PolarHBondContact O-N 2.93Å; R187-R190 VanDerWaalsContact O-N 3.08Å; R187-E191 PolarHBondContact O-N 3.25Å; R187-E191 VanDerWaalsContact O-N 3.12Å |
| 188 | K | 68.5 | Low | 70.5 | Confident | 162 Ų | 162 | 125.3 Ų | 125.3 | 70% | 0.704 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.3 | -34.3 | 179.6 | -67 | -174.1 | 178.3 | -171.9 | 0 | 112.9 | C184 K185 R190 S192 | C184-K188 PolarHBondContact O-N 2.73Å; K185-K188 PolarHBondContact O-N 2.85Å; K188-R190 VanDerWaalsContact C-N 3.34Å; K188-S192 PolarHBondContact O-N 3.48Å; K188-S192 PolarHBondContact O-OG 3.09Å |
| 189 | E | 66.4 | Low | 68.4 | Low | 139 Ų | 139 | 131.5 Ų | 131.5 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.6 | -21.9 | 178.2 | -157 | 170.7 | -170.4 | 0 | 0 | 113.1 | K185 R187 S192 | K185-E189 PolarHBondContact O-N 3.19Å; R187-E189 VanDerWaalsContact C-N 3.26Å; R187-E189 PolarHBondContact O-N 2.91Å; E189-S192 PolarHBondContact O-OG 2.83Å |
| 190 | R | 60.1 | Low | 66.4 | Low | 211 Ų | 211 | 135.5 Ų | 135.5 | 80% | 0.796 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -86.6 | -26.8 | 175.2 | -73.4 | -165.1 | 172.5 | -163.5 | -3.1 | 113.6 | R187 K188 | R187-R190 PolarHBondContact O-N 2.93Å; R187-R190 VanDerWaalsContact O-N 3.08Å; K188-R190 VanDerWaalsContact C-N 3.34Å |
| 191 | E | 61.7 | Low | 64.6 | Low | 157 Ų | 157 | 139 Ų | 139 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -78.2 | -33.5 | 178.5 | -164.1 | 155 | 92.7 | 0 | 0 | 112.2 | R187 L193 N194 | R187-E191 PolarHBondContact O-N 3.25Å; R187-E191 VanDerWaalsContact O-N 3.12Å; E191-L193 PolarHBondContact O-N 3Å; E191-N194 PolarHBondContact O-N 2.99Å; E191-N194 VanDerWaalsContact O-N 3.14Å |
| 192 | S | 54.7 | Low | 62.8 | Low | 86 Ų | 86 | 141.6 Ų | 141.6 | 60% | 0.601 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -14.1 | 174.9 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | K188 E189 | K188-S192 PolarHBondContact O-N 3.48Å; K188-S192 PolarHBondContact O-OG 3.09Å; E189-S192 PolarHBondContact O-OG 2.83Å |
| 193 | L | 60.9 | Low | 60.8 | Low | 158 Ų | 158 | 141.4 Ų | 141.4 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 1.6 | 176.4 | -139.6 | 146.8 | 0 | 0 | 0 | 112.2 | E191 | E191-L193 PolarHBondContact O-N 3Š|
| 194 | N | 55.1 | Low | 59.2 | Low | 133 Ų | 133 | 142.8 Ų | 142.8 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | -127.5 | 46 | 177.3 | -157.5 | -3.7 | 0 | 0 | 0 | 111.5 | E191 P196 | E191-N194 PolarHBondContact O-N 2.99Å; E191-N194 VanDerWaalsContact O-N 3.14Å; N194-P196 WeakPolarHBondContact O-CD 3.48Å | ||
| 195 | V | 55 | Low | 57.4 | Low | 120 Ų | 120 | 146.5 Ų | 146.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -98.6 | 106.1 | 161.3 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 196 | P | 52.4 | Low | 55.9 | Low | 99 Ų | 99 | 146.2 Ų | 146.2 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | trans | -70.9 | 139.6 | 176.9 | 21.6 | -22.7 | 0 | 0 | 0 | 111.3 | N194 A198 | N194-P196 WeakPolarHBondContact O-CD 3.48Å; P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 3.1Å | ||
| 197 | S | 50.9 | Low | 54.2 | Low | 133 Ų | 133 | 143.8 Ų | 143.8 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -42.5 | 74.2 | 172.4 | -49.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 198 | A | 50.2 | Low | 53.1 | Low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -131.8 | 66 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P196 | P196-A198 VanDerWaalsContact C-N 3.33Å; P196-A198 PolarHBondContact O-N 3.1Å | ||
| 199 | Q | 44.3 | Very low | 51.8 | Low | 188 Ų | 188 | 145 Ų | 145 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | trans | -173.5 | 77.4 | 160.7 | -108 | 169.8 | 18.2 | 0 | 0 | 110.4 | ||||
| 200 | F | 46.8 | Very low | 50.9 | Low | 212 Ų | 212 | 142.4 Ų | 142.4 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -157.8 | 84 | 161.4 | -115.5 | -78.8 | 0 | 0 | 0 | 109.3 | ||||
| 201 | T | 52.4 | Low | 49.9 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -173.1 | 96.3 | 144 | 30.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 202 | S | 50 | Low | 49.1 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 37.5 | 140.5 | 133.4 | 47.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 203 | P | 45.7 | Very low | 48.7 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -90 | 120.7 | -171.8 | 35.4 | -28.1 | 0 | 0 | 0 | 112.2 | ||||
| 204 | L | 54.7 | Low | 47.8 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | trans | -149.9 | 106.4 | 157.7 | -88.4 | 170 | 0 | 0 | 0 | 108.5 | ||||
| 205 | D | 45.2 | Very low | 47.4 | Very low | 154 Ų | 154 | 140 Ų | 140 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -60.6 | 176.7 | 163.7 | -91.8 | -37.5 | 0 | 0 | 0 | 112 | ||||
| 206 | P | 50 | Low | 47.2 | Very low | 100 Ų | 100 | 141 Ų | 141 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | cis | -138.2 | -177.6 | -38.9 | 39.5 | -22 | 0 | 0 | 0 | 111.8 | ||||
| 207 | V | 43 | Very low | 46.8 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 59.6 | 96.9 | 157.1 | -169.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 208 | Y | 47.4 | Very low | 46.4 | Very low | 209 Ų | 209 | 141.9 Ų | 141.9 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | -158.5 | 120.4 | 141.4 | -165.3 | -111.6 | 0 | 0 | 0 | 110.7 | P210 | Y208-P210 HydrophobicContact CD1-CG 4.15Å; Y208-P210 HydrophobicContact CE1-CG 3.39Å; Y208-P210 HydrophobicContact CE2-CG 4.28Å; Y208-P210 VanDerWaalsContact CZ-CG 3.46Å; Y208-P210 WeakPolarHBondContact OH-CG 3.11Å | ||
| 209 | K | 41 | Very low | 45.9 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -134.6 | 124.4 | 166.9 | -166.9 | -176.6 | -174.4 | 178.9 | 0 | 107.7 | N211 | K209-N211 WeakPolarHBondContact CE-OD1 3.49Š| ||
| 210 | P | 46.8 | Very low | 46.2 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 55% | 0.552 | 78% | 0.777 | S | S | * | * | trans | -132.3 | 136.1 | 146.1 | 16.6 | 5 | 0 | 0 | 0 | 110.9 | Y208 | Y208-P210 HydrophobicContact CD1-CG 4.15Å; Y208-P210 HydrophobicContact CE1-CG 3.39Å; Y208-P210 HydrophobicContact CE2-CG 4.28Å; Y208-P210 VanDerWaalsContact CZ-CG 3.46Å; Y208-P210 WeakPolarHBondContact OH-CG 3.11Å | ||
| 211 | N | 40.6 | Very low | 46.6 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | trans | -71.4 | 163.6 | 169.7 | -57.4 | -33.1 | 0 | 0 | 0 | 110.3 | K209 | K209-N211 WeakPolarHBondContact CE-OD1 3.49Š| ||
| 212 | Q | 45 | Very low | 46.4 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | trans | 73.5 | 132.8 | 150.2 | -96.2 | 171.7 | -47.7 | 0 | 0 | 115.3 | ||||
| 213 | Y | 44.5 | Very low | 46.4 | Very low | 185 Ų | 185 | 137.3 Ų | 137.3 | 73% | 0.725 | 77% | 0.769 | S | S | * | * | cis | -168.2 | -166.3 | 19.7 | -28.1 | -114.3 | 0 | 0 | 0 | 106.1 | ||||
| 214 | P | 43.8 | Very low | 46.2 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | -119.3 | 173 | -65.7 | 30.7 | -9.5 | 0 | 0 | 0 | 112.4 | |||||
| 215 | V | 46.4 | Very low | 45.8 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | -61.4 | 133.5 | 178.3 | 169.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 216 | V | 50.6 | Low | 46.3 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | trans | -140.2 | 140.9 | 151.9 | -163.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 217 | N | 44.1 | Very low | 46.1 | Very low | 151 Ų | 151 | 135 Ų | 135 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -56.2 | 164.8 | -164.5 | -133.6 | 13.6 | 0 | 0 | 0 | 118.1 | ||||
| 218 | P | 42.6 | Very low | 46.4 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | trans | -95.4 | 135.2 | -165.8 | 37.1 | -30.7 | 0 | 0 | 0 | 112.3 | ||||
| 219 | T | 38.9 | Very low | 47.1 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | trans | -163 | 100.8 | 152.9 | -33.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 220 | S | 51.8 | Low | 47.8 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | 169.4 | 103.1 | 145 | 39.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 221 | V | 53.6 | Low | 48.6 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -81.6 | 139.9 | 165.5 | 176.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 222 | P | 49.5 | Very low | 48.8 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | -160.2 | -168.5 | 86.9 | 44.1 | -20.7 | 0 | 0 | 0 | 114.7 | |||||
| 223 | P | 48.8 | Very low | 48.9 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -130 | 164.6 | -73.8 | 37.9 | -21.7 | 0 | 0 | 0 | 113.2 | |||||
| 224 | G | 42.6 | Very low | 48.9 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | trans | 95.2 | 96.3 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 225 | Y | 44.7 | Very low | 48.7 | Very low | 206 Ų | 206 | 135.4 Ų | 135.4 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -135.1 | 138.4 | 141.2 | 56.4 | -89.7 | 0 | 0 | 0 | 109.4 | ||||
| 226 | P | 55.7 | Low | 48.5 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 62% | 0.617 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 136 | -178.3 | 28.5 | -32.8 | 0 | 0 | 0 | 111.1 | Y228 | P226-Y228 HydrophobicContact CB-CE2 4.35Å; P226-Y228 HydrophobicContact CG-CE2 4.12Å |
| 227 | V | 47.8 | Very low | 48.4 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 121.5 | 172.2 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 228 | Y | 47.8 | Very low | 48.7 | Very low | 188 Ų | 188 | 135 Ų | 135 | 74% | 0.737 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 134.3 | 169.8 | -67.2 | -74.2 | 0 | 0 | 0 | 110.8 | P226 | P226-Y228 HydrophobicContact CB-CE2 4.35Å; P226-Y228 HydrophobicContact CG-CE2 4.12Å |
| 229 | P | 62.8 | Low | 48.7 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 133.7 | -178.7 | -12.2 | 27.5 | 0 | 0 | 0 | 112.2 | ||
| 230 | Y | 54.7 | Low | 48.9 | Very low | 226 Ų | 226 | 139.4 Ų | 139.4 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 134.1 | 165.4 | -89 | -94 | 0 | 0 | 0 | 110.4 | ||
| 231 | P | 64.2 | Low | 48.6 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 143.7 | 169.2 | 29.5 | -31.9 | 0 | 0 | 0 | 110.6 | ||
| 232 | P | 45.3 | Very low | 47.9 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 138.5 | 175.7 | 32.3 | -30.4 | 0 | 0 | 0 | 109.5 | ||
| 233 | N | 46.8 | Very low | 47.7 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 74.3 | 102.5 | 157.6 | -52.6 | -20.2 | 0 | 0 | 0 | 117.7 | ||
| 234 | G | 44.4 | Very low | 47.6 | Very low | 77 Ų | 77 | 142.6 Ų | 142.6 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | 106.6 | 15 | 112.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 235 | Q | 40.7 | Very low | 48 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -136.1 | 104.2 | 171.3 | -78 | -166.7 | -29.8 | 0 | 0 | 113.5 | ||||
| 236 | Y | 42 | Very low | 48 | Very low | 241 Ų | 241 | 139.9 Ų | 139.9 | 95% | 0.945 | 76% | 0.763 | S | S | * | * | trans | -73.3 | 118.6 | 164.5 | -114.2 | -96 | 0 | 0 | 0 | 108.9 | ||||
| 237 | V | 47.4 | Very low | 47.4 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | trans | -103.2 | 116 | 169.6 | -171.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 238 | G | 50.4 | Low | 47.3 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -105.5 | 131.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 239 | Y | 43.2 | Very low | 47 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | -94 | 141.6 | 171.7 | -73.1 | -85.8 | 0 | 0 | 0 | 111 | ||||
| 240 | P | 43.3 | Very low | 46.5 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -106.3 | 159 | -178.3 | 39 | -30.9 | 0 | 0 | 0 | 113.1 | ||||
| 241 | Q | 45.1 | Very low | 46.5 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | 176.3 | 153 | 159.1 | -102.4 | 179.2 | 30.2 | 0 | 0 | 108.7 | ||||
| 242 | N | 39.5 | Very low | 45.5 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -173.7 | 123.4 | -21.2 | -125.4 | -5.9 | 0 | 0 | 0 | 105.5 | ||||
| 243 | V | 45.4 | Very low | 45.6 | Very low | 105 Ų | 105 | 137 Ų | 137 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | 40.7 | 139.1 | 135.4 | -103.8 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 244 | D | 46.8 | Very low | 45.5 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | 71.8 | 137.3 | 142.4 | -52.6 | -38.4 | 0 | 0 | 0 | 120.5 | ||||
| 245 | V | 51 | Low | 45.8 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -163.6 | 151.7 | 54.5 | -165.6 | 0 | 0 | 0 | 0 | 112.7 | F247 | V245-F247 HydrophobicContact CG1-CZ 4.47Š| |||
| 246 | P | 44 | Very low | 46 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | trans | -121.2 | 163.4 | 179.1 | 40.4 | -27.3 | 0 | 0 | 0 | 116.6 | ||||
| 247 | F | 43 | Very low | 46.1 | Very low | 205 Ų | 205 | 131.4 Ų | 131.4 | 90% | 0.899 | 78% | 0.776 | S | S | * | * | trans | -138.7 | 151.2 | 167.4 | -53.9 | -76.8 | 0 | 0 | 0 | 113 | V245 | V245-F247 HydrophobicContact CG1-CZ 4.47Š| ||
| 248 | A | 46.6 | Very low | 46 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -101.7 | 172.7 | -151.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 249 | P | 40.2 | Very low | 45.7 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -114.7 | 171.7 | -170.9 | 40.1 | -27.5 | 0 | 0 | 0 | 116.5 | ||||
| 250 | V | 53.7 | Low | 45.8 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -129.1 | 135 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 251 | P | 53.5 | Low | 45.9 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -127.6 | 163.7 | 168.4 | 39.9 | -26.3 | 0 | 0 | 0 | 114.5 | ||||
| 252 | P | 44 | Very low | 46 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -142 | 133 | 142 | 32.4 | -14.6 | 0 | 0 | 0 | 112.4 | ||||
| 253 | A | 46.4 | Very low | 46 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | 106.1 | 129.2 | 80.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 254 | L | 44.9 | Very low | 45.6 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -120.1 | 142.2 | 175.8 | -156.7 | 94.1 | 0 | 0 | 0 | 108.5 | ||||
| 255 | P | 50.4 | Low | 45.3 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | -96.1 | 147.4 | 172.3 | 34 | -28.5 | 0 | 0 | 0 | 113.6 | ||||
| 256 | T | 45.1 | Very low | 44.8 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | trans | -65.4 | 159.9 | 174.9 | 46.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 257 | N | 45.3 | Very low | 44.8 | Very low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 82% | 0.822 | S | S | * | * | 140.8 | 123.6 | 116.9 | -163.1 | 3.3 | 0 | 0 | 0 | 112.2 | |||||
| 258 | M | 45.1 | Very low | 44.9 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | -179.2 | 107 | 126.2 | -88.6 | -57.3 | -172.4 | 0 | 0 | 108.5 | |||||
| 259 | T | 44.4 | Very low | 44.6 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | -68.4 | 141.7 | 169.9 | -42.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 260 | G | 45.1 | Very low | 44.9 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -163 | 121 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 261 | E | 45.5 | Very low | 44.3 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | -84.4 | 161.6 | -151.1 | -139.7 | 162.4 | 113.4 | 0 | 0 | 115.6 | ||||
| 262 | A | 45.3 | Very low | 43.9 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -72 | 143.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 263 | G | 40.9 | Very low | 43.8 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -164.7 | 101.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 264 | S | 37.6 | Very low | 43.6 | Very low | 126 Ų | 126 | 140 Ų | 140 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | trans | -79.2 | 127.9 | 167.6 | -47.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 265 | S | 40.5 | Very low | 43.4 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -144.2 | 121.7 | 166.6 | -171.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 266 | W | 38.8 | Very low | 42.7 | Very low | 252 Ų | 252 | 137.5 Ų | 137.5 | 96% | 0.955 | 81% | 0.808 | S | S | * | * | trans | -95.8 | 132.1 | 170.2 | -77.5 | 88.6 | 0 | 0 | 0 | 108.6 | ||||
| 267 | G | 44.2 | Very low | 42.4 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 100.2 | 100 | 159 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 268 | V | 44.8 | Very low | 42.4 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -144.6 | 118.3 | 144.5 | 172.3 | 0 | 0 | 0 | 0 | 108 | T270 | V268-T270 PolarHBondContact O-N 3.47Š| ||
| 269 | E | 41.3 | Very low | 42.4 | Very low | 179 Ų | 179 | 139.2 Ų | 139.2 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -58.1 | 118.7 | 164.1 | -94.4 | 159.9 | 108.7 | 0 | 0 | 110.5 | ||||
| 270 | T | 46.5 | Very low | 42.3 | Very low | 123 Ų | 123 | 141 Ų | 141 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -92.1 | 101 | 159.7 | 47 | 0 | 0 | 0 | 0 | 108.9 | V268 L272 | V268-T270 PolarHBondContact O-N 3.47Å; T270-L272 PolarHBondContact O-N 2.91Å | ||
| 271 | N | 40.5 | Very low | 42.8 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -62.4 | 118.9 | 158.1 | -84.5 | -76.2 | 0 | 0 | 0 | 108.7 | ||||
| 272 | L | 45.1 | Very low | 43.7 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -136.4 | 121.1 | 167.7 | -110.3 | 149.9 | 0 | 0 | 0 | 107.8 | T270 | T270-L272 PolarHBondContact O-N 2.91Š| ||
| 273 | P | 41.5 | Very low | 44.3 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -80.5 | 128.3 | 176.7 | 31.5 | -29 | 0 | 0 | 0 | 109 | ||||
| 274 | Y | 43.3 | Very low | 45.3 | Very low | 219 Ų | 219 | 144.4 Ų | 144.4 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -122 | 139.3 | 169.3 | -144.5 | -103.5 | 0 | 0 | 0 | 110 | ||||
| 275 | P | 41.5 | Very low | 46.5 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 140.6 | -157 | 31.4 | -29.9 | 0 | 0 | 0 | 112.6 | ||||
| 276 | T | 35.3 | Very low | 47.2 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -81.5 | 107.4 | 176 | 37.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 277 | T | 39.1 | Very low | 47.4 | Very low | 146 Ų | 146 | 143 Ų | 143 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -161.5 | 101.4 | 148.2 | -17.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 278 | R | 43.4 | Very low | 47.6 | Very low | 233 Ų | 233 | 143.4 Ų | 143.4 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -134.9 | 134.3 | 161.1 | -163.7 | 172.1 | -156.4 | -134.6 | 2.5 | 108.3 | ||||
| 279 | P | 46 | Very low | 47.5 | Very low | 98 Ų | 98 | 141 Ų | 141 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | -69.9 | 134.7 | -169.4 | -13.9 | 28.6 | 0 | 0 | 0 | 111.9 | F281 | P279-F281 HydrophobicContact CB-CE2 4.28Å; P279-F281 PolarHBondContact O-N 3.11Å | ||
| 280 | D | 43.3 | Very low | 47.7 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -67.7 | 110 | 169.4 | -64.7 | -58.5 | 0 | 0 | 0 | 109.4 | ||||
| 281 | F | 55 | Low | 47.5 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 130.9 | 164 | -78.5 | -84 | 0 | 0 | 0 | 108.8 | P279 | P279-F281 HydrophobicContact CB-CE2 4.28Å; P279-F281 PolarHBondContact O-N 3.11Å |
| 282 | P | 63 | Low | 47.4 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 148.6 | 175.7 | 28.9 | -33.5 | 0 | 0 | 0 | 110.7 | ||
| 283 | P | 58.4 | Low | 47.2 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 153.2 | 177.4 | 28.4 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 284 | P | 62.4 | Low | 46.9 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 153.9 | 178.1 | 28.4 | -34.4 | 0 | 0 | 0 | 112 | ||
| 285 | P | 63 | Low | 46.5 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 136.8 | 179.7 | 27.2 | -31.7 | 0 | 0 | 0 | 111.3 | ||
| 286 | Y | 53.8 | Low | 46.6 | Very low | 204 Ų | 204 | 136 Ų | 136 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 142.3 | 177.4 | -82.2 | -89.2 | 0 | 0 | 0 | 111.7 | G288 | Y286-G288 PolarHBondContact O-N 3.14Å; Y286-G288 VanDerWaalsContact O-N 3.11Å |
| 287 | P | 44.2 | Very low | 46.7 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 108 | 173.3 | 28.5 | -29.7 | 0 | 0 | 0 | 108.9 | ||
| 288 | G | 48.2 | Very low | 46.8 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.2 | -5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y286 S290 | Y286-G288 PolarHBondContact O-N 3.14Å; Y286-G288 VanDerWaalsContact O-N 3.11Å; G288-S290 PolarHBondContact O-N 3.24Å |
| 289 | A | 43 | Very low | 46.7 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -79 | 104.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | I291 | A289-I291 PolarHBondContact O-N 2.88Š| ||
| 290 | S | 44.8 | Very low | 46.6 | Very low | 102 Ų | 102 | 130 Ų | 130 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | -59.8 | 114.4 | 163.7 | 50.5 | 0 | 0 | 0 | 0 | 108.8 | G288 S292 | G288-S290 PolarHBondContact O-N 3.24Å; S290-S292 PolarHBondContact O-N 3.19Å | ||
| 291 | I | 41.8 | Very low | 46.7 | Very low | 173 Ų | 173 | 127.4 Ų | 127.4 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 79.7 | 171.3 | -52.5 | 170.3 | 0 | 0 | 0 | 106.9 | A289 | A289-I291 PolarHBondContact O-N 2.88Š| ||
| 292 | S | 38.6 | Very low | 46.1 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 57% | 0.573 | 78% | 0.775 | S | S | * | * | trans | -105.9 | 100.4 | 159 | 58.2 | 0 | 0 | 0 | 0 | 106 | S290 | S290-S292 PolarHBondContact O-N 3.19Š| ||
| 293 | N | 40.6 | Very low | 45.2 | Very low | 151 Ų | 151 | 122.4 Ų | 122.4 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | 179 | 119.9 | 120.3 | -78.5 | -15.9 | 0 | 0 | 0 | 108.6 | |||||
| 294 | A | 36.4 | Very low | 44.9 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -67.1 | 131.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 295 | E | 34.8 | Very low | 44.2 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -127.3 | 84.7 | 163.8 | -156.4 | 150.2 | 144.3 | 0 | 0 | 107.6 | ||||
| 296 | V | 43.5 | Very low | 43.3 | Very low | 138 Ų | 138 | 129 Ų | 129 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -126.9 | 115.1 | 165.3 | 179 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 297 | H | 36.7 | Very low | 43 | Very low | 180 Ų | 180 | 125.2 Ų | 125.2 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | trans | -21.1 | 132.8 | 166.4 | -81.1 | -150.8 | 0 | 0 | 0 | 116 | ||||
| 298 | A | 41.5 | Very low | 43.1 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 166.2 | 138.1 | 99.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 299 | S | 42.1 | Very low | 43.1 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 83.7 | 105.6 | 151.5 | -40.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 300 | A | 42.8 | Very low | 43.1 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -57.7 | 178.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 301 | P | 45.6 | Very low | 43.1 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | cis | -147.3 | 176.4 | 17.6 | 39 | -15.8 | 0 | 0 | 0 | 118.9 | ||||
| 302 | S | 43.1 | Very low | 43.1 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | 72.9 | 109.6 | 138.7 | 59.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 303 | S | 44.7 | Very low | 43.4 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 64% | 0.643 | 81% | 0.811 | S | S | * | * | 85.7 | 122.1 | 119.7 | 69.5 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 304 | T | 50.7 | Low | 43.6 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 55% | 0.546 | 81% | 0.811 | S | S | . | * | trans | 79.5 | 134.7 | 133.3 | 63.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 305 | W | 48.4 | Very low | 44 | Very low | 225 Ų | 225 | 140.6 Ų | 140.6 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | cis | -157.8 | 149 | 26.9 | -51.2 | 75.3 | 0 | 0 | 0 | 110 | ||||
| 306 | M | 44.6 | Very low | 44.7 | Very low | 175 Ų | 175 | 136.9 Ų | 136.9 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | trans | 7.4 | 124.9 | 149.3 | -73.9 | -172.8 | -174.1 | 0 | 0 | 122.9 | ||||
| 307 | T | 47 | Very low | 44.8 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | 57.3 | 126 | 120.1 | -10.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 308 | K | 45.7 | Very low | 45.5 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | 96.6 | 99.6 | 130 | -147.9 | 175.2 | -174.5 | 177.6 | 0 | 119 | |||||
| 309 | S | 49.5 | Very low | 45.8 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 100% | 1.329 | 80% | 0.803 | S | S | * | * | -168.9 | 0 | 120.7 | 56.5 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 309 of 309 residues in 304.5 ms
(Link to these results)