| 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 | 53.7 | Low | 74.1 | Confident | 211 Ų | 211 | 122 Ų | 122 | 100% | 1.039 | 62% | 0.623 | S | S | * | * | 0 | -28.1 | 0 | -91.7 | -166.9 | 170 | 0 | 0 | 112.8 | D3 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 3.25Å | |||
| 2 | S | 61.9 | Low | 75.1 | Confident | 82 Ų | 82 | 116.1 Ų | 116.1 | 57% | 0.573 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.5 | -42.8 | 173.2 | 35.8 | 0 | 0 | 0 | 0 | 115.7 | N4 H5 F6 | S2-N4 PolarHBondContact O-N 3.07Å; S2-H5 WeakPolarHBondContact O-CA 3.11Å; S2-H5 VanDerWaalsContact O-CB 3.25Å; S2-H5 WeakPolarHBondContact O-CB 3.49Å; S2-H5 PolarHBondContact O-N 2.82Å; S2-F6 PolarHBondContact O-N 3.17Å |
| 3 | D | 61.8 | Low | 75.9 | Confident | 113 Ų | 113 | 116.3 Ų | 116.3 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.5 | -29.9 | -154.7 | -32.2 | -57.5 | 0 | 0 | 0 | 111.6 | M1 H5 F6 S7 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 3.25Å; D3-H5 PolarHBondContact O-N 3.07Å; D3-F6 PolarHBondContact O-N 2.81Å; D3-S7 WeakPolarHBondContact O-CB 3.46Å; D3-S7 PolarHBondContact O-N 2.86Å |
| 4 | N | 73.4 | Confident | 76.6 | Confident | 123 Ų | 123 | 114 Ų | 114 | 66% | 0.658 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.5 | -30.2 | 169 | -74.1 | -21.2 | 0 | 0 | 0 | 112.5 | S2 R8 | S2-N4 PolarHBondContact O-N 3.07Å; N4-R8 WeakPolarHBondContact O-CB 3.46Å; N4-R8 WeakPolarHBondContact O-CG 3.42Å; N4-R8 PolarHBondContact O-N 3.02Å; N4-R8 VanDerWaalsContact O-N 3.1Å |
| 5 | H | 74.5 | Confident | 77.3 | Confident | 146 Ų | 146 | 117.1 Ų | 117.1 | 68% | 0.676 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.4 | -44.4 | 177.6 | -162.1 | -89.8 | 0 | 0 | 0 | 111.1 | S2 D3 R8 A9 | S2-H5 WeakPolarHBondContact O-CA 3.11Å; S2-H5 VanDerWaalsContact O-CB 3.25Å; S2-H5 WeakPolarHBondContact O-CB 3.49Å; S2-H5 PolarHBondContact O-N 2.82Å; D3-H5 PolarHBondContact O-N 3.07Å; H5-R8 PolarHBondContact O-N 3.1Å; H5-A9 WeakPolarHBondContact O-CB 3.46Å; H5-A9 PolarHBondContact O-N 3.2Å |
| 6 | F | 75.8 | Confident | 77.9 | Confident | 153 Ų | 153 | 113 Ų | 113 | 67% | 0.671 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.9 | -44.3 | 176.3 | -170.6 | -96.6 | 0 | 0 | 0 | 111.9 | S2 D3 R8 A9 L10 | S2-F6 PolarHBondContact O-N 3.17Å; D3-F6 PolarHBondContact O-N 2.81Å; F6-R8 PolarHBondContact O-N 3.06Å; F6-A9 PolarHBondContact O-N 2.95Å; F6-L10 WeakPolarHBondContact O-CB 3.29Å; F6-L10 PolarHBondContact O-N 3.46Å |
| 7 | S | 81.1 | Confident | 78.3 | Confident | 61 Ų | 61 | 112 Ų | 112 | 43% | 0.427 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.4 | -43.5 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | D3 L10 M11 | D3-S7 WeakPolarHBondContact O-CB 3.46Å; D3-S7 PolarHBondContact O-N 2.86Å; S7-L10 PolarHBondContact O-N 3.01Å; S7-M11 VanDerWaalsContact O-CB 3.31Å; S7-M11 WeakPolarHBondContact O-CB 3.5Å; S7-M11 WeakPolarHBondContact O-CG 3.42Å; S7-M11 PolarHBondContact O-N 2.76Å |
| 8 | R | 81.7 | Confident | 78.8 | Confident | 195 Ų | 195 | 113.7 Ų | 113.7 | 74% | 0.736 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.2 | -38 | 175 | -76.2 | 174.4 | 69.1 | 145.7 | -0 | 112.9 | N4 H5 F6 A12 | N4-R8 WeakPolarHBondContact O-CB 3.46Å; N4-R8 WeakPolarHBondContact O-CG 3.42Å; N4-R8 PolarHBondContact O-N 3.02Å; N4-R8 VanDerWaalsContact O-N 3.1Å; H5-R8 PolarHBondContact O-N 3.1Å; F6-R8 PolarHBondContact O-N 3.06Å; R8-A12 WeakPolarHBondContact O-CB 3.47Å; R8-A12 PolarHBondContact O-N 3.05Å |
| 9 | A | 82.6 | Confident | 79.3 | Confident | 49 Ų | 49 | 113.7 Ų | 113.7 | 41% | 0.405 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.4 | -45.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H5 F6 M11 A12 H13 | H5-A9 WeakPolarHBondContact O-CB 3.46Å; H5-A9 PolarHBondContact O-N 3.2Å; F6-A9 PolarHBondContact O-N 2.95Å; A9-M11 PolarHBondContact O-N 3.25Å; A9-A12 WeakPolarHBondContact O-CB 3.35Å; A9-A12 PolarHBondContact O-N 2.91Å; A9-A12 VanDerWaalsContact O-N 3.12Å; A9-H13 WeakPolarHBondContact O-CB 3.26Å; A9-H13 PolarHBondContact O-N 3.08Å |
| 10 | L | 85 | Confident | 79.8 | Confident | 100 Ų | 100 | 113.1 Ų | 113.1 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.5 | -45.2 | 175.7 | -172.9 | 63.9 | 0 | 0 | 0 | 111.5 | F6 S7 A12 H13 E14 | F6-L10 WeakPolarHBondContact O-CB 3.29Å; F6-L10 PolarHBondContact O-N 3.46Å; S7-L10 PolarHBondContact O-N 3.01Å; L10-A12 PolarHBondContact O-N 3.48Å; L10-H13 PolarHBondContact O-N 3.05Å; L10-E14 WeakPolarHBondContact O-CB 3.44Å; L10-E14 PolarHBondContact O-N 3.32Å |
| 11 | M | 83.9 | Confident | 80.2 | Confident | 109 Ų | 109 | 113 Ų | 113 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -20.5 | 174.4 | -74.5 | -93.7 | -178.7 | 0 | 0 | 114.2 | S7 A9 R15 | S7-M11 VanDerWaalsContact O-CB 3.31Å; S7-M11 WeakPolarHBondContact O-CB 3.5Å; S7-M11 WeakPolarHBondContact O-CG 3.42Å; S7-M11 PolarHBondContact O-N 2.76Å; A9-M11 PolarHBondContact O-N 3.25Å; M11-R15 PolarHBondContact O-NE 2.86Å; M11-R15 PolarHBondContact O-NH2 3.18Å |
| 12 | A | 85.6 | Confident | 81.8 | Confident | 51 Ų | 51 | 108.7 Ų | 108.7 | 42% | 0.421 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -85 | -45.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | R8 A9 L10 E14 R15 A16 | R8-A12 WeakPolarHBondContact O-CB 3.47Å; R8-A12 PolarHBondContact O-N 3.05Å; A9-A12 WeakPolarHBondContact O-CB 3.35Å; A9-A12 PolarHBondContact O-N 2.91Å; A9-A12 VanDerWaalsContact O-N 3.12Å; L10-A12 PolarHBondContact O-N 3.48Å; A12-E14 PolarHBondContact O-N 3.33Å; A12-R15 PolarHBondContact O-N 2.88Å; A12-A16 PolarHBondContact O-N 3.35Å |
| 13 | H | 86.3 | Confident | 82.9 | Confident | 119 Ų | 119 | 108.3 Ų | 108.3 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.8 | -43.6 | 176.2 | -176 | -111.4 | 0 | 0 | 0 | 112.1 | A9 L10 R15 A16 I17 | A9-H13 WeakPolarHBondContact O-CB 3.26Å; A9-H13 PolarHBondContact O-N 3.08Å; L10-H13 PolarHBondContact O-N 3.05Å; H13-R15 VanDerWaalsContact C-N 3.34Å; H13-R15 PolarHBondContact O-N 3.02Å; H13-A16 WeakPolarHBondContact O-CB 3.48Å; H13-A16 PolarHBondContact O-N 3.42Å; H13-I17 WeakPolarHBondContact O-CG1 3.46Å; H13-I17 PolarHBondContact O-N 3.05Å |
| 14 | E | 84.9 | Confident | 84.1 | Confident | 84 Ų | 84 | 110.1 Ų | 110.1 | 39% | 0.393 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65 | -37.3 | 177.2 | -154.1 | -146.7 | 125 | 0 | 0 | 112.1 | L10 A12 I17 R18 | L10-E14 WeakPolarHBondContact O-CB 3.44Å; L10-E14 PolarHBondContact O-N 3.32Å; A12-E14 PolarHBondContact O-N 3.33Å; E14-I17 PolarHBondContact O-N 3.48Å; E14-R18 WeakPolarHBondContact O-CG 3.3Å; E14-R18 PolarHBondContact O-N 3.33Å; E14-R18 IonicContact OE1-CZ 2.7Å; E14-R18 IonicContact OE1-NE 2.7Å; E14-R18 PolarHBondContact OE1-NE 3.02Å; E14-R18 IonicContact OE1-NH2 3.68Å; E14-R18 PolarHBondContact OE1-NH2 2.68Å; E14-R18 IonicContact OE2-NH2 3.8Å |
| 15 | R | 87.9 | Confident | 84.8 | Confident | 160 Ų | 160 | 109.4 Ų | 109.4 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.1 | -40.1 | 172 | -90 | -179 | -75.6 | 175.4 | -5.8 | 112.3 | M11 A12 H13 R18 H19 | M11-R15 PolarHBondContact O-NE 2.86Å; M11-R15 PolarHBondContact O-NH2 3.18Å; A12-R15 PolarHBondContact O-N 2.88Å; H13-R15 VanDerWaalsContact C-N 3.34Å; H13-R15 PolarHBondContact O-N 3.02Å; R15-R18 PolarHBondContact O-N 3.1Å; R15-H19 WeakPolarHBondContact O-CB 3.31Å; R15-H19 PolarHBondContact O-N 3.08Å |
| 16 | A | 85.9 | Confident | 85.3 | Confident | 52 Ų | 52 | 108.1 Ų | 108.1 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A12 H13 R18 H19 V20 | A12-A16 PolarHBondContact O-N 3.35Å; H13-A16 WeakPolarHBondContact O-CB 3.48Å; H13-A16 PolarHBondContact O-N 3.42Å; A16-R18 PolarHBondContact O-N 3.48Å; A16-H19 PolarHBondContact O-N 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.26Å; A16-V20 PolarHBondContact O-N 3.02Å |
| 17 | I | 85 | Confident | 85.5 | Confident | 96 Ų | 96 | 103.7 Ų | 103.7 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 174.2 | -68.7 | 168.2 | 0 | 0 | 0 | 111 | H13 E14 H19 V20 H21 | H13-I17 WeakPolarHBondContact O-CG1 3.46Å; H13-I17 PolarHBondContact O-N 3.05Å; E14-I17 PolarHBondContact O-N 3.48Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 3.19Å; I17-V20 PolarHBondContact O-N 3.04Å; I17-H21 WeakPolarHBondContact O-CB 3.3Å; I17-H21 PolarHBondContact O-N 3.39Å |
| 18 | R | 87.1 | Confident | 85.4 | Confident | 143 Ų | 143 | 103.1 Ų | 103.1 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 177.8 | -68.8 | -167 | -131.6 | 159.9 | 0.6 | 112.1 | E14 R15 A16 H21 Q22 | E14-R18 WeakPolarHBondContact O-CG 3.3Å; E14-R18 PolarHBondContact O-N 3.33Å; E14-R18 IonicContact OE1-CZ 2.7Å; E14-R18 IonicContact OE1-NE 2.7Å; E14-R18 PolarHBondContact OE1-NE 3.02Å; E14-R18 IonicContact OE1-NH2 3.68Å; E14-R18 PolarHBondContact OE1-NH2 2.68Å; E14-R18 IonicContact OE2-NH2 3.8Å; R15-R18 PolarHBondContact O-N 3.1Å; A16-R18 PolarHBondContact O-N 3.48Å; R18-H21 PolarHBondContact O-N 3.09Å; R18-Q22 WeakPolarHBondContact O-CG 3.3Å; R18-Q22 PolarHBondContact O-N 3.42Å |
| 19 | H | 88.3 | Confident | 85.2 | Confident | 113 Ų | 113 | 98.5 Ų | 98.5 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 176.6 | -169.5 | -73.9 | 0 | 0 | 0 | 112 | R15 A16 I17 H21 Q22 E23 | R15-H19 WeakPolarHBondContact O-CB 3.31Å; R15-H19 PolarHBondContact O-N 3.08Å; A16-H19 PolarHBondContact O-N 3.3Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 3.19Å; H19-H21 VanDerWaalsContact C-N 3.29Å; H19-H21 PolarHBondContact O-N 3.33Å; H19-Q22 PolarHBondContact O-N 3.44Å; H19-E23 WeakPolarHBondContact O-CG 3.45Å; H19-E23 PolarHBondContact O-N 2.83Å |
| 20 | V | 88.9 | Confident | 84.9 | Confident | 101 Ų | 101 | 100.2 Ų | 100.2 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.7 | -38 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | A16 I17 F24 | A16-V20 WeakPolarHBondContact O-CG2 3.26Å; A16-V20 PolarHBondContact O-N 3.02Å; I17-V20 PolarHBondContact O-N 3.04Å; V20-F24 VanDerWaalsContact O-CB 3.32Å; V20-F24 WeakPolarHBondContact O-CB 3.34Å; V20-F24 PolarHBondContact O-N 3.07Å |
| 21 | H | 88 | Confident | 84.4 | Confident | 111 Ų | 111 | 100.6 Ų | 100.6 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 174.7 | -171.6 | -82 | 0 | 0 | 0 | 112.5 | I17 R18 H19 F24 Q25 | I17-H21 WeakPolarHBondContact O-CB 3.3Å; I17-H21 PolarHBondContact O-N 3.39Å; R18-H21 PolarHBondContact O-N 3.09Å; H19-H21 VanDerWaalsContact C-N 3.29Å; H19-H21 PolarHBondContact O-N 3.33Å; H21-F24 PolarHBondContact O-N 3.14Å; H21-Q25 PolarHBondContact CE1-OE1 3.46Å; H21-Q25 VanDerWaalsContact CE1-OE1 3.31Å; H21-Q25 PolarHBondContact ND1-OE1 3.19Å; H21-Q25 WeakPolarHBondContact O-CG 3.49Å; H21-Q25 PolarHBondContact O-N 3.15Å |
| 22 | Q | 87.7 | Confident | 84 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -44.2 | 175.9 | -75.7 | 176.9 | -48.5 | 0 | 0 | 111.9 | R18 H19 Q25 R26 | R18-Q22 WeakPolarHBondContact O-CG 3.3Å; R18-Q22 PolarHBondContact O-N 3.42Å; H19-Q22 PolarHBondContact O-N 3.44Å; Q22-Q25 PolarHBondContact O-N 3.4Å; Q22-R26 PolarHBondContact O-N 2.55Å |
| 23 | E | 86.2 | Confident | 83.4 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 34% | 0.341 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.2 | -71.1 | -63.8 | 94.8 | 0 | 0 | 111.9 | H19 Q25 R26 V27 | H19-E23 WeakPolarHBondContact O-CG 3.45Å; H19-E23 PolarHBondContact O-N 2.83Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.45Å; E23-R26 PolarHBondContact O-N 2.8Å; E23-R26 IonicContact OE1-CZ 3.94Å; E23-R26 IonicContact OE1-NH1 3.29Å; E23-R26 PolarHBondContact OE1-NH1 2.72Å; E23-R26 IonicContact OE2-CZ 2.74Å; E23-R26 IonicContact OE2-NH1 2.98Å; E23-R26 PolarHBondContact OE2-NH1 3.14Å; E23-V27 WeakPolarHBondContact O-CG2 3.27Å; E23-V27 PolarHBondContact O-N 3.33Å |
| 24 | F | 86.8 | Confident | 82.6 | Confident | 152 Ų | 152 | 103 Ų | 103 | 67% | 0.667 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -40.6 | 173.6 | -177 | -92.2 | 0 | 0 | 0 | 112.1 | V20 H21 A28 | V20-F24 VanDerWaalsContact O-CB 3.32Å; V20-F24 WeakPolarHBondContact O-CB 3.34Å; V20-F24 PolarHBondContact O-N 3.07Å; H21-F24 PolarHBondContact O-N 3.14Å; F24-A28 VanDerWaalsContact O-CB 3.24Å; F24-A28 WeakPolarHBondContact O-CB 3.27Å; F24-A28 PolarHBondContact O-N 2.76Å |
| 25 | Q | 87.2 | Confident | 81.2 | Confident | 107 Ų | 107 | 101.6 Ų | 101.6 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 174 | -74.3 | 179.7 | -61 | 0 | 0 | 112.1 | H21 Q22 E23 A28 Q29 | H21-Q25 PolarHBondContact CE1-OE1 3.46Å; H21-Q25 VanDerWaalsContact CE1-OE1 3.31Å; H21-Q25 PolarHBondContact ND1-OE1 3.19Å; H21-Q25 WeakPolarHBondContact O-CG 3.49Å; H21-Q25 PolarHBondContact O-N 3.15Å; Q22-Q25 PolarHBondContact O-N 3.4Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.45Å; Q25-A28 PolarHBondContact O-N 2.98Å; Q25-Q29 WeakPolarHBondContact O-CB 3.36Å; Q25-Q29 PolarHBondContact O-N 2.8Å |
| 26 | R | 85.1 | Confident | 79.1 | Confident | 119 Ų | 119 | 98.4 Ų | 98.4 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 177 | -152.6 | -168.9 | 81.1 | -127.3 | -9.7 | 111.1 | Q22 E23 A28 Q29 E30 | Q22-R26 PolarHBondContact O-N 2.55Å; E23-R26 PolarHBondContact O-N 2.8Å; E23-R26 IonicContact OE1-CZ 3.94Å; E23-R26 IonicContact OE1-NH1 3.29Å; E23-R26 PolarHBondContact OE1-NH1 2.72Å; E23-R26 IonicContact OE2-CZ 2.74Å; E23-R26 IonicContact OE2-NH1 2.98Å; E23-R26 PolarHBondContact OE2-NH1 3.14Å; R26-A28 VanDerWaalsContact C-N 3.35Å; R26-A28 PolarHBondContact O-N 2.92Å; R26-Q29 PolarHBondContact O-N 3.15Å; R26-Q29 VanDerWaalsContact O-N 3.16Å; R26-E30 IonicContact CZ-OE1 3.35Å; R26-E30 VanDerWaalsContact CZ-OE1 3.29Å; R26-E30 IonicContact NE-OE1 2.7Å; R26-E30 PolarHBondContact NE-OE1 2.74Å; R26-E30 IonicContact NH2-OE1 3.87Å; R26-E30 PolarHBondContact NH2-OE1 3Å; R26-E30 IonicContact NH2-OE2 2.76Å; R26-E30 WeakPolarHBondContact O-CG 3.37Å; R26-E30 PolarHBondContact O-N 3.45Å |
| 27 | V | 81.1 | Confident | 76.9 | Confident | 61 Ų | 61 | 102.6 Ų | 102.6 | 37% | 0.37 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.8 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | E23 Q29 E30 I31 | E23-V27 WeakPolarHBondContact O-CG2 3.27Å; E23-V27 PolarHBondContact O-N 3.33Å; V27-Q29 VanDerWaalsContact C-N 3.32Å; V27-Q29 PolarHBondContact O-N 3.21Å; V27-E30 PolarHBondContact O-N 2.58Å; V27-I31 HydrophobicContact CG1-CD1 3.83Å; V27-I31 HydrophobicContact CG1-CG1 4.43Å; V27-I31 WeakPolarHBondContact O-CB 3.46Å; V27-I31 WeakPolarHBondContact O-CD1 3.13Å; V27-I31 WeakPolarHBondContact O-CG1 3.33Å; V27-I31 PolarHBondContact O-N 2.77Å |
| 28 | A | 77.7 | Confident | 74.8 | Confident | 48 Ų | 48 | 102.8 Ų | 102.8 | 40% | 0.397 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F24 Q25 R26 F32 | F24-A28 VanDerWaalsContact O-CB 3.24Å; F24-A28 WeakPolarHBondContact O-CB 3.27Å; F24-A28 PolarHBondContact O-N 2.76Å; Q25-A28 PolarHBondContact O-N 2.98Å; R26-A28 VanDerWaalsContact C-N 3.35Å; R26-A28 PolarHBondContact O-N 2.92Å; A28-F32 WeakPolarHBondContact O-CB 3.18Å; A28-F32 PolarHBondContact O-N 3.15Å |
| 29 | Q | 77.8 | Confident | 72.5 | Confident | 98 Ų | 98 | 105.8 Ų | 105.8 | 46% | 0.458 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.2 | -46 | 175.3 | -170.9 | 61.8 | 42.8 | 0 | 0 | 111.7 | Q25 R26 V27 I31 F32 D33 | Q25-Q29 WeakPolarHBondContact O-CB 3.36Å; Q25-Q29 PolarHBondContact O-N 2.8Å; R26-Q29 PolarHBondContact O-N 3.15Å; R26-Q29 VanDerWaalsContact O-N 3.16Å; V27-Q29 VanDerWaalsContact C-N 3.32Å; V27-Q29 PolarHBondContact O-N 3.21Å; Q29-I31 VanDerWaalsContact C-N 3.28Å; Q29-I31 PolarHBondContact O-N 3.08Å; Q29-F32 WeakPolarHBondContact O-CB 3.19Å; Q29-F32 PolarHBondContact O-N 3.45Å; Q29-D33 WeakPolarHBondContact CG-OD2 3.42Å; Q29-D33 PolarHBondContact NE2-OD1 2.91Å; Q29-D33 PolarHBondContact NE2-OD2 2.97Å; Q29-D33 PolarHBondContact O-N 3.08Å |
| 30 | E | 77.4 | Confident | 70.4 | Confident | 85 Ų | 85 | 108.1 Ų | 108.1 | 40% | 0.397 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -54.6 | -42.7 | 173.3 | -74.2 | 168.1 | -167.1 | 0 | 0 | 111.7 | R26 V27 S34 | R26-E30 IonicContact CZ-OE1 3.35Å; R26-E30 VanDerWaalsContact CZ-OE1 3.29Å; R26-E30 IonicContact NE-OE1 2.7Å; R26-E30 PolarHBondContact NE-OE1 2.74Å; R26-E30 IonicContact NH2-OE1 3.87Å; R26-E30 PolarHBondContact NH2-OE1 3Å; R26-E30 IonicContact NH2-OE2 2.76Å; R26-E30 WeakPolarHBondContact O-CG 3.37Å; R26-E30 PolarHBondContact O-N 3.45Å; V27-E30 PolarHBondContact O-N 2.58Å; E30-S34 WeakPolarHBondContact O-CB 3.38Å; E30-S34 PolarHBondContact O-N 2.99Å; E30-S34 PolarHBondContact O-OG 3.19Å |
| 31 | I | 74.2 | Confident | 67.8 | Low | 109 Ų | 109 | 112.4 Ų | 112.4 | 56% | 0.559 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.8 | -44.3 | 174.3 | -71.4 | 166.5 | 0 | 0 | 0 | 110.8 | V27 Q29 S35 | V27-I31 HydrophobicContact CG1-CD1 3.83Å; V27-I31 HydrophobicContact CG1-CG1 4.43Å; V27-I31 WeakPolarHBondContact O-CB 3.46Å; V27-I31 WeakPolarHBondContact O-CD1 3.13Å; V27-I31 WeakPolarHBondContact O-CG1 3.33Å; V27-I31 PolarHBondContact O-N 2.77Å; Q29-I31 VanDerWaalsContact C-N 3.28Å; Q29-I31 PolarHBondContact O-N 3.08Å; I31-S35 WeakPolarHBondContact O-CB 3.37Å; I31-S35 PolarHBondContact O-N 3.26Å; I31-S35 PolarHBondContact O-OG 3.1Å |
| 32 | F | 74.2 | Confident | 65.2 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.2 | -49.3 | -179.3 | -169 | -95.3 | 0 | 0 | 0 | 111.6 | A28 Q29 S35 | A28-F32 WeakPolarHBondContact O-CB 3.18Å; A28-F32 PolarHBondContact O-N 3.15Å; Q29-F32 WeakPolarHBondContact O-CB 3.19Å; Q29-F32 PolarHBondContact O-N 3.45Å; F32-S35 WeakPolarHBondContact CA-OG 3.45Å; F32-S35 CarbonylContact O-C 3.59Å; F32-S35 WeakPolarHBondContact O-CA 3.43Å; F32-S35 PolarHBondContact O-N 3.48Å; F32-S35 VanDerWaalsContact O-N 3.08Å; F32-S35 PolarHBondContact O-OG 3.34Å |
| 33 | D | 73.9 | Confident | 62.7 | Low | 98 Ų | 98 | 117.4 Ų | 117.4 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.3 | -34.2 | -177.9 | -62.8 | -29.2 | 0 | 0 | 0 | 112.2 | Q29 S35 | Q29-D33 WeakPolarHBondContact CG-OD2 3.42Å; Q29-D33 PolarHBondContact NE2-OD1 2.91Å; Q29-D33 PolarHBondContact NE2-OD2 2.97Å; Q29-D33 PolarHBondContact O-N 3.08Å; D33-S35 PolarHBondContact O-N 3.38Å |
| 34 | S | 70.1 | Confident | 60.3 | Low | 104 Ų | 104 | 118.5 Ų | 118.5 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.7 | -27.9 | 168.4 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | E30 A36 | E30-S34 WeakPolarHBondContact O-CB 3.38Å; E30-S34 PolarHBondContact O-N 2.99Å; E30-S34 PolarHBondContact O-OG 3.19Å; S34-A36 PolarHBondContact O-N 3.37Å; S34-A36 VanDerWaalsContact O-N 3.14Å |
| 35 | S | 53.6 | Low | 58.4 | Low | 54 Ų | 54 | 120.1 Ų | 120.1 | 38% | 0.378 | 62% | 0.619 | S | S | . | * | trans | -86.9 | 54.3 | 176.8 | 73.7 | 0 | 0 | 0 | 0 | 112.5 | I31 F32 D33 L37 | I31-S35 WeakPolarHBondContact O-CB 3.37Å; I31-S35 PolarHBondContact O-N 3.26Å; I31-S35 PolarHBondContact O-OG 3.1Å; F32-S35 WeakPolarHBondContact CA-OG 3.45Å; F32-S35 CarbonylContact O-C 3.59Å; F32-S35 WeakPolarHBondContact O-CA 3.43Å; F32-S35 PolarHBondContact O-N 3.48Å; F32-S35 VanDerWaalsContact O-N 3.08Å; F32-S35 PolarHBondContact O-OG 3.34Å; D33-S35 PolarHBondContact O-N 3.38Å; S35-L37 PolarHBondContact O-N 2.68Å | ||
| 36 | A | 44.8 | Very low | 56.1 | Low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | trans | -67.5 | 53.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S34 | S34-A36 PolarHBondContact O-N 3.37Å; S34-A36 VanDerWaalsContact O-N 3.14Å | ||
| 37 | L | 39.8 | Very low | 53.7 | Low | 139 Ų | 139 | 127.8 Ų | 127.8 | 73% | 0.728 | 65% | 0.649 | S | S | * | * | trans | -79.2 | 135.9 | 176.4 | -68.1 | 174 | 0 | 0 | 0 | 109.8 | S35 R39 | S35-L37 PolarHBondContact O-N 2.68Å; L37-R39 PolarHBondContact O-N 2.87Å | ||
| 38 | P | 40.2 | Very low | 51.4 | Low | 100 Ų | 100 | 132 Ų | 132 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | trans | -55.5 | 130.5 | 176.9 | -27.3 | 35.3 | 0 | 0 | 0 | 112.4 | Q40 | P38-Q40 HydrophobicContact CB-CG 4.39Å; P38-Q40 PolarHBondContact O-N 2.94Å | ||
| 39 | R | 39.4 | Very low | 49.5 | Very low | 207 Ų | 207 | 137.2 Ų | 137.2 | 78% | 0.781 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 24.3 | -176.9 | -72.1 | -179.1 | 165.1 | -119.4 | 0.8 | 115.1 | L37 | L37-R39 PolarHBondContact O-N 2.87Š|
| 40 | Q | 43.7 | Very low | 47.5 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 76% | 0.757 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -7.2 | -165.7 | -67.4 | -176 | -16 | 0 | 0 | 115.2 | P38 | P38-Q40 HydrophobicContact CB-CG 4.39Å; P38-Q40 PolarHBondContact O-N 2.94Å |
| 41 | F | 35.7 | Very low | 45.5 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | trans | -124.5 | 58.5 | -177.5 | -67.6 | -74.6 | 0 | 0 | 0 | 114.3 | ||||
| 42 | F | 32.9 | Very low | 43.7 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 80% | 0.803 | 72% | 0.719 | S | S | * | * | trans | -118.2 | 118.9 | 162.9 | -87.1 | -83.4 | 0 | 0 | 0 | 111.5 | ||||
| 43 | N | 35.4 | Very low | 41.8 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | trans | -61 | 137.8 | 174.5 | -95.7 | -55.5 | 0 | 0 | 0 | 110.9 | Q45 | N43-Q45 PolarHBondContact O-N 2.93Š| ||
| 44 | S | 35.4 | Very low | 40.1 | Very low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 49.7 | -165.5 | -177.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 45 | Q | 47.8 | Very low | 38.7 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -5.5 | 171.4 | -66 | -170.1 | 5.2 | 0 | 0 | 114 | N43 | N43-Q45 PolarHBondContact O-N 2.93Š|
| 46 | F | 38.5 | Very low | 38 | Very low | 188 Ų | 188 | 152.2 Ų | 152.2 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -110.4 | 104.6 | 165.8 | -73.9 | -85.2 | 0 | 0 | 0 | 109.6 | ||||
| 47 | R | 34.7 | Very low | 37.6 | Very low | 199 Ų | 199 | 150.8 Ų | 150.8 | 75% | 0.751 | 77% | 0.765 | S | S | * | * | trans | -107 | 156.9 | 161.3 | -70.8 | -168.4 | 175.2 | -152.2 | -2.2 | 109.1 | ||||
| 48 | D | 33.2 | Very low | 37.6 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 67.8 | 47.1 | 160.1 | -45.3 | -27.9 | 0 | 0 | 0 | 117.9 | ||||
| 49 | I | 35.9 | Very low | 37.4 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -129.7 | 99.7 | 139.1 | -54.1 | -179.2 | 0 | 0 | 0 | 109 | I51 | I49-I51 HydrophobicContact CG2-CG1 4.31Š| ||
| 50 | S | 35.7 | Very low | 37.3 | Very low | 81 Ų | 81 | 151.7 Ų | 151.7 | 57% | 0.566 | 77% | 0.768 | S | S | * | * | trans | -125.1 | 96.7 | 169.1 | 56.6 | 0 | 0 | 0 | 0 | 109.3 | I52 | S50-I52 PolarHBondContact O-N 3.32Š| ||
| 51 | I | 36.8 | Very low | 37 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | -77.2 | 115.3 | 171.5 | -58.3 | 175.5 | 0 | 0 | 0 | 107 | I49 | I49-I51 HydrophobicContact CG2-CG1 4.31Š| ||
| 52 | I | 35.5 | Very low | 37 | Very low | 135 Ų | 135 | 148.5 Ų | 148.5 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -96.2 | 123.9 | 173.3 | -60.3 | 175.3 | 0 | 0 | 0 | 107 | S50 S54 | S50-I52 PolarHBondContact O-N 3.32Å; I52-S54 PolarHBondContact O-N 2.79Å | ||
| 53 | P | 35.2 | Very low | 37.2 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -61 | 131.3 | 172.2 | -21.2 | 33.3 | 0 | 0 | 0 | 110.6 | D55 | P53-D55 PolarHBondContact O-N 3.02Š| ||
| 54 | S | 37.6 | Very low | 36.9 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -90.9 | 88 | 174.2 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | I52 | I52-S54 PolarHBondContact O-N 2.79Š| ||
| 55 | D | 40.6 | Very low | 37 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 156.9 | 168.8 | -159.4 | 1.9 | 0 | 0 | 0 | 111 | P53 | P53-D55 PolarHBondContact O-N 3.02Š| ||
| 56 | R | 40 | Very low | 36.4 | Very low | 231 Ų | 231 | 147.5 Ų | 147.5 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | -115.5 | 110.9 | -163.6 | -81.4 | -178.2 | 164.9 | -172.2 | -3.1 | 114.2 | ||||
| 57 | G | 35.4 | Very low | 36 | Very low | 62 Ų | 62 | 146.4 Ų | 146.4 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | 97.1 | 159.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 58 | T | 39.5 | Very low | 36.2 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | 61.4 | 141 | -168.8 | 70.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 59 | Q | 37.3 | Very low | 36.3 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 66% | 0.659 | 77% | 0.767 | S | S | * | * | cis | -151.2 | 160 | 11.3 | -143.1 | 175.9 | -120.9 | 0 | 0 | 109.7 | ||||
| 60 | R | 35.9 | Very low | 36.5 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 70% | 0.698 | 77% | 0.77 | S | S | * | * | trans | 31.4 | 134.7 | 141 | -75.2 | 174.7 | -165.2 | 123.5 | 2.4 | 119.6 | ||||
| 61 | D | 38.6 | Very low | 36.8 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | cis | -156.8 | -175.6 | 27.3 | -101.3 | -36.8 | 0 | 0 | 0 | 114.6 | ||||
| 62 | L | 35 | Very low | 36.9 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -82 | 149.3 | -171.6 | -51.1 | 88.2 | 0 | 0 | 0 | 115.5 | ||||
| 63 | V | 37.7 | Very low | 37.1 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -141 | 143.7 | 134 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 64 | R | 29.2 | Very low | 37.4 | Very low | 217 Ų | 217 | 145.7 Ų | 145.7 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | trans | -144.8 | 115 | -173.6 | 174.4 | -165.9 | -179.6 | -175.9 | 1.9 | 112.1 | ||||
| 65 | V | 36.2 | Very low | 37.3 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -149.3 | 87 | 168.7 | -176 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 66 | T | 35.5 | Very low | 37 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | 66.3 | 97.6 | 92.6 | 61.4 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 67 | L | 31.5 | Very low | 36.9 | Very low | 166 Ų | 166 | 138 Ų | 138 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -5.6 | 142.4 | 145.5 | -54.4 | 166.9 | 0 | 0 | 0 | 119.4 | ||||
| 68 | S | 38.2 | Very low | 37 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | -169 | 132.9 | 125 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 69 | D | 34.3 | Very low | 37.1 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -81.1 | 158.7 | 178.4 | -49.9 | -91.1 | 0 | 0 | 0 | 113.8 | ||||
| 70 | S | 41.2 | Very low | 37.1 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -164.8 | 148.4 | 151.2 | -82 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 71 | N | 41.5 | Very low | 37.4 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | trans | -97.2 | 172.8 | -169.8 | -59.2 | -48.6 | 0 | 0 | 0 | 113.8 | ||||
| 72 | D | 38.1 | Very low | 37.6 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | 56.6 | 111.8 | 150.6 | -57.3 | -42.1 | 0 | 0 | 0 | 120.3 | ||||
| 73 | V | 41.1 | Very low | 37.8 | Very low | 144 Ų | 144 | 152.9 Ų | 152.9 | 87% | 0.873 | 82% | 0.816 | S | S | * | * | -161.3 | 148.6 | 119.3 | 132.7 | 0 | 0 | 0 | 0 | 110.6 | G75 | V73-G75 PolarHBondContact O-N 3.06Š| |||
| 74 | V | 40.2 | Very low | 38.2 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | trans | -69.8 | 111.4 | -179.2 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 75 | G | 36.9 | Very low | 39.1 | Very low | 66 Ų | 66 | 150.1 Ų | 150.1 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | -124.5 | 98.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V73 S77 | V73-G75 PolarHBondContact O-N 3.06Å; G75-S77 PolarHBondContact O-N 3.02Å; G75-S77 VanDerWaalsContact O-N 3.07Å | ||
| 76 | N | 33.4 | Very low | 39.8 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -81.9 | 85.7 | -174.7 | -163.7 | 11.3 | 0 | 0 | 0 | 112 | ||||
| 77 | S | 38.8 | Very low | 40.6 | Very low | 115 Ų | 115 | 150.3 Ų | 150.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -120.3 | 126.3 | 177.5 | -79.9 | 0 | 0 | 0 | 0 | 113.6 | G75 | G75-S77 PolarHBondContact O-N 3.02Å; G75-S77 VanDerWaalsContact O-N 3.07Å | ||
| 78 | R | 36.1 | Very low | 41.4 | Very low | 229 Ų | 229 | 147.5 Ų | 147.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -71.7 | 174.5 | 164.3 | -67.9 | 174.2 | 173.4 | 160.1 | -1.9 | 110 | ||||
| 79 | V | 41.5 | Very low | 42 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 83.3 | 93.5 | 174.3 | -168.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 80 | N | 38.5 | Very low | 42.5 | Very low | 157 Ų | 157 | 147.2 Ų | 147.2 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | -145.9 | 139.4 | 105.2 | -136 | -16.6 | 0 | 0 | 0 | 111.6 | |||||
| 81 | R | 42.4 | Very low | 42.8 | Very low | 227 Ų | 227 | 148.4 Ų | 148.4 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 127.7 | 164.5 | -79.9 | 178.9 | 173 | 146.3 | -3.1 | 106.4 | R83 | R81-R83 PolarHBondContact O-N 3.36Å; R81-R83 VanDerWaalsContact O-N 3.07Å |
| 82 | H | 42.1 | Very low | 43.1 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 119 | 172.5 | -72.6 | -74.7 | 0 | 0 | 0 | 110.4 | ||
| 83 | R | 40.1 | Very low | 44.2 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 129.3 | 161.8 | -78.7 | 179.2 | 163 | 179.9 | -4.9 | 106.5 | R81 N85 | R81-R83 PolarHBondContact O-N 3.36Å; R81-R83 VanDerWaalsContact O-N 3.07Å; R83-N85 PolarHBondContact O-N 2.82Å |
| 84 | N | 44.4 | Very low | 44.9 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 25.8 | -177.3 | -85.3 | -2.2 | 0 | 0 | 0 | 114.5 | ||
| 85 | N | 48.2 | Very low | 45.7 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.2 | 0 | -171.2 | -71.8 | 29.4 | 0 | 0 | 0 | 113.7 | R83 P87 | R83-N85 PolarHBondContact O-N 2.82Å; N85-P87 WeakPolarHBondContact O-CD 3.34Å |
| 86 | D | 52.3 | Low | 47 | Very low | 116 Ų | 116 | 149.6 Ų | 149.6 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -68.9 | 122.2 | 175.4 | -62.3 | -31.6 | 0 | 0 | 0 | 109.5 | V88 | D86-V88 PolarHBondContact O-N 3.48Š|
| 87 | P | 52.1 | Low | 48.3 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | -70.9 | 106.5 | -176.1 | 27.4 | -33.5 | 0 | 0 | 0 | 110.5 | N85 T89 | N85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-T89 PolarHBondContact O-N 3.16Å; P87-T89 VanDerWaalsContact O-N 3.17Å | ||
| 88 | V | 48.7 | Very low | 49.1 | Very low | 106 Ų | 106 | 151.1 Ų | 151.1 | 64% | 0.642 | 71% | 0.707 | S | S | * | * | trans | -62.5 | 118 | 178.3 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | D86 F90 T93 | D86-V88 PolarHBondContact O-N 3.48Å; V88-F90 PolarHBondContact O-N 2.99Å; V88-T93 WeakPolarHBondContact CG1-OG1 3.46Å | ||
| 89 | T | 50.6 | Low | 50.2 | Low | 95 Ų | 95 | 144.7 Ų | 144.7 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | trans | -60.3 | 120.8 | 178.6 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | P87 E91 R92 | P87-T89 PolarHBondContact O-N 3.16Å; P87-T89 VanDerWaalsContact O-N 3.17Å; T89-E91 PolarHBondContact O-N 3.46Å; T89-R92 WeakPolarHBondContact O-CB 3.44Å; T89-R92 PolarHBondContact O-N 3.23Å | ||
| 90 | F | 44 | Very low | 51.1 | Low | 165 Ų | 165 | 141.3 Ų | 141.3 | 72% | 0.724 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -48.7 | -36.7 | -169.5 | 178.7 | -101.6 | 0 | 0 | 0 | 114.3 | V88 R92 T93 R94 | V88-F90 PolarHBondContact O-N 2.99Å; F90-R92 PolarHBondContact O-N 2.86Å; F90-T93 WeakPolarHBondContact O-CB 3.37Å; F90-T93 PolarHBondContact O-N 3.01Å; F90-R94 PolarHBondContact O-N 2.9Å |
| 91 | E | 48.5 | Very low | 51.7 | Low | 149 Ų | 149 | 136.7 Ų | 136.7 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -62.6 | -37.9 | 180 | -163.1 | 159.7 | -124.2 | 0 | 0 | 113.3 | T89 R94 L95 | T89-E91 PolarHBondContact O-N 3.46Å; E91-R94 PolarHBondContact O-N 3.29Å; E91-L95 PolarHBondContact O-N 3.45Å; E91-L95 VanDerWaalsContact O-N 3.08Å |
| 92 | R | 48 | Very low | 52.2 | Low | 184 Ų | 184 | 128.7 Ų | 128.7 | 69% | 0.694 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.4 | -41.3 | 177.9 | -153.7 | 175 | -155.5 | 153.3 | 7.6 | 111.1 | T89 F90 Q96 | T89-R92 WeakPolarHBondContact O-CB 3.44Å; T89-R92 PolarHBondContact O-N 3.23Å; F90-R92 PolarHBondContact O-N 2.86Å; R92-Q96 WeakPolarHBondContact O-CB 3.45Å; R92-Q96 PolarHBondContact O-N 3.31Å |
| 93 | T | 59.7 | Low | 52.6 | Low | 71 Ų | 71 | 130 Ų | 130 | 44% | 0.436 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64 | -39.4 | 174.4 | -48.5 | 0 | 0 | 0 | 0 | 111.5 | V88 F90 Q96 W97 | V88-T93 WeakPolarHBondContact CG1-OG1 3.46Å; F90-T93 WeakPolarHBondContact O-CB 3.37Å; F90-T93 PolarHBondContact O-N 3.01Å; T93-Q96 PolarHBondContact O-N 2.89Å; T93-W97 VanDerWaalsContact O-CB 3.29Å; T93-W97 WeakPolarHBondContact O-CB 3.32Å; T93-W97 PolarHBondContact O-N 3.33Å |
| 94 | R | 55.7 | Low | 53 | Low | 170 Ų | 170 | 128.2 Ų | 128.2 | 64% | 0.642 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.8 | -44.3 | 179.4 | -166.8 | 176.8 | -170.1 | 166.7 | 4.3 | 112.4 | F90 E91 W97 Y98 | F90-R94 PolarHBondContact O-N 2.9Å; E91-R94 PolarHBondContact O-N 3.29Å; R94-W97 PolarHBondContact O-N 3.39Å; R94-Y98 PolarHBondContact O-N 2.96Å |
| 95 | L | 57.5 | Low | 53.2 | Low | 116 Ų | 116 | 124.9 Ų | 124.9 | 61% | 0.607 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65 | -46.2 | 174.7 | -75.4 | 168.5 | 0 | 0 | 0 | 111.6 | E91 W97 Y98 D99 | E91-L95 PolarHBondContact O-N 3.45Å; E91-L95 VanDerWaalsContact O-N 3.08Å; L95-W97 VanDerWaalsContact C-N 3.28Å; L95-W97 PolarHBondContact O-N 2.92Å; L95-Y98 WeakPolarHBondContact O-CA 3.41Å; L95-Y98 WeakPolarHBondContact O-CB 3.29Å; L95-Y98 PolarHBondContact O-N 3.48Å; L95-D99 PolarHBondContact O-N 3.43Å |
| 96 | Q | 64.6 | Low | 53.1 | Low | 131 Ų | 131 | 127.1 Ų | 127.1 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.1 | -32.7 | 178.3 | -168.4 | 172.5 | 13.6 | 0 | 0 | 112.9 | R92 T93 S100 | R92-Q96 WeakPolarHBondContact O-CB 3.45Å; R92-Q96 PolarHBondContact O-N 3.31Å; T93-Q96 PolarHBondContact O-N 2.89Å; Q96-S100 VanDerWaalsContact O-CB 3.26Å; Q96-S100 WeakPolarHBondContact O-CB 3.47Å; Q96-S100 PolarHBondContact O-N 3.5Å; Q96-S100 PolarHBondContact O-OG 3.08Å |
| 97 | W | 60.1 | Low | 53 | Low | 168 Ų | 168 | 126.9 Ų | 126.9 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.6 | -40 | 171.7 | -169.7 | 92.2 | 0 | 0 | 0 | 111.9 | T93 R94 L95 S100 N101 | T93-W97 VanDerWaalsContact O-CB 3.29Å; T93-W97 WeakPolarHBondContact O-CB 3.32Å; T93-W97 PolarHBondContact O-N 3.33Å; R94-W97 PolarHBondContact O-N 3.39Å; L95-W97 VanDerWaalsContact C-N 3.28Å; L95-W97 PolarHBondContact O-N 2.92Å; W97-S100 PolarHBondContact O-N 3.08Å; W97-N101 VanDerWaalsContact CD2-ND2 3.26Å; W97-N101 VanDerWaalsContact CE3-ND2 3.29Å; W97-N101 VanDerWaalsContact CH2-ND2 3.3Å; W97-N101 WeakPolarHBondContact CH2-ND2 3.45Å; W97-N101 VanDerWaalsContact CZ2-ND2 3.26Å; W97-N101 WeakPolarHBondContact CZ2-ND2 3.4Å; W97-N101 VanDerWaalsContact CZ3-ND2 3.3Å; W97-N101 WeakPolarHBondContact CZ3-ND2 3.49Å; W97-N101 WeakPolarHBondContact O-CB 3.41Å; W97-N101 PolarHBondContact O-N 3.46Å; W97-N101 VanDerWaalsContact O-N 3.1Å; W97-N101 PolarHBondContact O-ND2 3.42Å |
| 98 | Y | 55.2 | Low | 52.8 | Low | 147 Ų | 147 | 126.5 Ų | 126.5 | 58% | 0.576 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.6 | -52.1 | 174 | -120.7 | -92 | 0 | 0 | 0 | 111.6 | R94 L95 S100 N101 T102 | R94-Y98 PolarHBondContact O-N 2.96Å; L95-Y98 WeakPolarHBondContact O-CA 3.41Å; L95-Y98 WeakPolarHBondContact O-CB 3.29Å; L95-Y98 PolarHBondContact O-N 3.48Å; Y98-S100 VanDerWaalsContact C-N 3.28Å; Y98-S100 PolarHBondContact O-N 3.42Å; Y98-N101 CarbonylContact O-C 3.6Å; Y98-N101 PolarHBondContact O-N 3.42Å; Y98-T102 HydrophobicContact CD1-CG2 4.16Å; Y98-T102 WeakPolarHBondContact O-CG2 3.46Å; Y98-T102 PolarHBondContact O-N 3.01Å; Y98-T102 PolarHBondContact O-OG1 2.88Å |
| 99 | D | 60.9 | Low | 53 | Low | 95 Ų | 95 | 129.3 Ų | 129.3 | 51% | 0.508 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -58.4 | -38.1 | 176.6 | -85.6 | -30.5 | 0 | 0 | 0 | 113 | L95 N101 T102 R103 | L95-D99 PolarHBondContact O-N 3.43Å; D99-N101 VanDerWaalsContact C-N 3.28Å; D99-N101 PolarHBondContact O-N 3.46Å; D99-T102 WeakPolarHBondContact CA-OG1 3.42Å; D99-T102 PolarHBondContact O-OG1 3.15Å; D99-R103 VanDerWaalsContact O-CB 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.45Å; D99-R103 VanDerWaalsContact O-CG 3.3Å; D99-R103 WeakPolarHBondContact O-CG 3.48Å; D99-R103 PolarHBondContact O-N 2.98Å; D99-R103 VanDerWaalsContact O-N 3.08Å |
| 100 | S | 59.5 | Low | 52.9 | Low | 64 Ų | 64 | 129.8 Ų | 129.8 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.7 | -30.6 | 176.2 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | Q96 W97 Y98 R104 | Q96-S100 VanDerWaalsContact O-CB 3.26Å; Q96-S100 WeakPolarHBondContact O-CB 3.47Å; Q96-S100 PolarHBondContact O-N 3.5Å; Q96-S100 PolarHBondContact O-OG 3.08Å; W97-S100 PolarHBondContact O-N 3.08Å; Y98-S100 VanDerWaalsContact C-N 3.28Å; Y98-S100 PolarHBondContact O-N 3.42Å; S100-R104 WeakPolarHBondContact O-CD 3.5Å; S100-R104 VanDerWaalsContact O-CG 3.27Å; S100-R104 WeakPolarHBondContact O-CG 3.21Å; S100-R104 PolarHBondContact O-N 3.45Å |
| 101 | N | 50.6 | Low | 53.1 | Low | 59 Ų | 59 | 128.4 Ų | 128.4 | 32% | 0.316 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -88.7 | -37.5 | -179.9 | -75.3 | -25.2 | 0 | 0 | 0 | 112.9 | W97 Y98 D99 R104 S105 | W97-N101 VanDerWaalsContact CD2-ND2 3.26Å; W97-N101 VanDerWaalsContact CE3-ND2 3.29Å; W97-N101 VanDerWaalsContact CH2-ND2 3.3Å; W97-N101 WeakPolarHBondContact CH2-ND2 3.45Å; W97-N101 VanDerWaalsContact CZ2-ND2 3.26Å; W97-N101 WeakPolarHBondContact CZ2-ND2 3.4Å; W97-N101 VanDerWaalsContact CZ3-ND2 3.3Å; W97-N101 WeakPolarHBondContact CZ3-ND2 3.49Å; W97-N101 WeakPolarHBondContact O-CB 3.41Å; W97-N101 PolarHBondContact O-N 3.46Å; W97-N101 VanDerWaalsContact O-N 3.1Å; W97-N101 PolarHBondContact O-ND2 3.42Å; Y98-N101 CarbonylContact O-C 3.6Å; Y98-N101 PolarHBondContact O-N 3.42Å; D99-N101 VanDerWaalsContact C-N 3.28Å; D99-N101 PolarHBondContact O-N 3.46Å; N101-R104 WeakPolarHBondContact O-CA 3.39Å; N101-R104 WeakPolarHBondContact O-CB 3.36Å; N101-R104 PolarHBondContact O-N 2.96Å; N101-R104 VanDerWaalsContact O-N 3.15Å; N101-S105 PolarHBondContact O-N 2.91Å; N101-S105 VanDerWaalsContact O-N 3.07Å; N101-S105 PolarHBondContact O-OG 2.97Å; N101-S105 VanDerWaalsContact O-OG 3.09Å |
| 102 | T | 54.3 | Low | 53 | Low | 60 Ų | 60 | 125.1 Ų | 125.1 | 37% | 0.368 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.9 | -37.7 | 174 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | Y98 D99 R104 S105 | Y98-T102 HydrophobicContact CD1-CG2 4.16Å; Y98-T102 WeakPolarHBondContact O-CG2 3.46Å; Y98-T102 PolarHBondContact O-N 3.01Å; Y98-T102 PolarHBondContact O-OG1 2.88Å; D99-T102 WeakPolarHBondContact CA-OG1 3.42Å; D99-T102 PolarHBondContact O-OG1 3.15Å; T102-R104 VanDerWaalsContact C-N 3.28Å; T102-R104 PolarHBondContact O-N 3.45Å; T102-S105 VanDerWaalsContact O-CB 3.27Å; T102-S105 WeakPolarHBondContact O-CB 3.27Å; T102-S105 PolarHBondContact O-N 3.19Å; T102-S105 VanDerWaalsContact O-N 3.14Å; T102-S105 PolarHBondContact O-OG 3.17Å |
| 103 | R | 49.7 | Very low | 52.9 | Low | 200 Ų | 200 | 127.1 Ų | 127.1 | 76% | 0.755 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.7 | -27.6 | 170.3 | -69.7 | -179.5 | -176.8 | -118.7 | 2.3 | 112.7 | D99 S105 | D99-R103 VanDerWaalsContact O-CB 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.45Å; D99-R103 VanDerWaalsContact O-CG 3.3Å; D99-R103 WeakPolarHBondContact O-CG 3.48Å; D99-R103 PolarHBondContact O-N 2.98Å; D99-R103 VanDerWaalsContact O-N 3.08Å; R103-S105 VanDerWaalsContact C-N 3.33Å |
| 104 | R | 47.9 | Very low | 52 | Low | 169 Ų | 169 | 129 Ų | 129 | 64% | 0.638 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.7 | -24.9 | 170.2 | -86.1 | 172.6 | 164.8 | -89.8 | -2.2 | 113.2 | S100 N101 T102 F106 L107 | S100-R104 WeakPolarHBondContact O-CD 3.5Å; S100-R104 VanDerWaalsContact O-CG 3.27Å; S100-R104 WeakPolarHBondContact O-CG 3.21Å; S100-R104 PolarHBondContact O-N 3.45Å; N101-R104 WeakPolarHBondContact O-CA 3.39Å; N101-R104 WeakPolarHBondContact O-CB 3.36Å; N101-R104 PolarHBondContact O-N 2.96Å; N101-R104 VanDerWaalsContact O-N 3.15Å; T102-R104 VanDerWaalsContact C-N 3.28Å; T102-R104 PolarHBondContact O-N 3.45Å; R104-F106 PolarHBondContact O-N 3.45Å; R104-L107 HydrophobicContact CG-CD1 4.19Å; R104-L107 PolarHBondContact O-N 3.38Å; R104-L107 VanDerWaalsContact O-N 3.15Å |
| 105 | S | 49.2 | Very low | 51.4 | Low | 91 Ų | 91 | 129.7 Ų | 129.7 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -18.5 | 178.9 | -51.8 | 0 | 0 | 0 | 0 | 114.3 | N101 T102 R103 | N101-S105 PolarHBondContact O-N 2.91Å; N101-S105 VanDerWaalsContact O-N 3.07Å; N101-S105 PolarHBondContact O-OG 2.97Å; N101-S105 VanDerWaalsContact O-OG 3.09Å; T102-S105 VanDerWaalsContact O-CB 3.27Å; T102-S105 WeakPolarHBondContact O-CB 3.27Å; T102-S105 PolarHBondContact O-N 3.19Å; T102-S105 VanDerWaalsContact O-N 3.14Å; T102-S105 PolarHBondContact O-OG 3.17Å; R103-S105 VanDerWaalsContact C-N 3.33Å |
| 106 | F | 46.7 | Very low | 51 | Low | 190 Ų | 190 | 129.4 Ų | 129.4 | 83% | 0.833 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 5.6 | 177.1 | -71.6 | -81.4 | 0 | 0 | 0 | 114 | R104 | R104-F106 PolarHBondContact O-N 3.45Š|
| 107 | L | 49.9 | Very low | 50.4 | Low | 112 Ų | 112 | 128.9 Ų | 128.9 | 59% | 0.586 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -75.8 | 136.5 | 163.5 | -65.5 | 173.1 | 0 | 0 | 0 | 108.4 | R104 E109 | R104-L107 HydrophobicContact CG-CD1 4.19Å; R104-L107 PolarHBondContact O-N 3.38Å; R104-L107 VanDerWaalsContact O-N 3.15Å; L107-E109 PolarHBondContact O-N 3.11Å |
| 108 | P | 48.8 | Very low | 50.4 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 75% | 0.747 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 140.8 | 171.6 | 25.8 | -33.9 | 0 | 0 | 0 | 109.3 | ||
| 109 | E | 51.5 | Low | 51 | Low | 165 Ų | 165 | 120.1 Ų | 120.1 | 77% | 0.771 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 126.9 | -176.7 | -170.6 | -173 | 159.3 | 0 | 0 | 109.8 | L107 T111 | L107-E109 PolarHBondContact O-N 3.11Å; E109-T111 PolarHBondContact O-N 2.89Å |
| 110 | P | 48.1 | Very low | 51.5 | Low | 105 Ų | 105 | 115.8 Ų | 115.8 | 68% | 0.682 | 61% | 0.607 | S | S | * | * | trans | -61.3 | 108.4 | -173.7 | 23.8 | -34 | 0 | 0 | 0 | 109.5 | A112 | P110-A112 PolarHBondContact O-N 3.46Å; P110-A112 VanDerWaalsContact O-N 3.09Å | ||
| 111 | T | 48.6 | Very low | 52.4 | Low | 135 Ų | 135 | 118.3 Ų | 118.3 | 83% | 0.828 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -33.8 | 110.6 | -167 | 44.9 | 0 | 0 | 0 | 0 | 111.6 | E109 R113 | E109-T111 PolarHBondContact O-N 2.89Å; T111-R113 PolarHBondContact O-N 3.24Å |
| 112 | A | 45.8 | Very low | 53.7 | Low | 81 Ų | 81 | 118.4 Ų | 118.4 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -25.3 | 112.2 | -156.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P110 | P110-A112 PolarHBondContact O-N 3.46Å; P110-A112 VanDerWaalsContact O-N 3.09Å |
| 113 | R | 46.9 | Very low | 54.9 | Low | 226 Ų | 226 | 119.9 Ų | 119.9 | 85% | 0.853 | 63% | 0.63 | S | S | * | * | trans | -35.6 | 116.9 | 177.1 | -81.9 | -176.4 | 175.8 | -116.6 | 4.8 | 108.6 | T111 K115 | T111-R113 PolarHBondContact O-N 3.24Å; R113-K115 PolarHBondContact O-N 2.98Å | ||
| 114 | P | 41.1 | Very low | 56.3 | Low | 110 Ų | 110 | 112.6 Ų | 112.6 | 71% | 0.714 | 60% | 0.604 | S | S | * | * | trans | -54.6 | 118.5 | -166.9 | 19.8 | -32.7 | 0 | 0 | 0 | 108.3 | V116 | P114-V116 WeakPolarHBondContact O-CG2 3.4Å; P114-V116 PolarHBondContact O-N 2.98Å | ||
| 115 | K | 43.4 | Very low | 57.9 | Low | 185 Ų | 185 | 105 Ų | 105 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | trans | -52.8 | 109.2 | -171.4 | -77.3 | -176.2 | 177.6 | 178.6 | 0 | 108.1 | R113 L117 | R113-K115 PolarHBondContact O-N 2.98Å; K115-L117 HydrophobicContact CB-CD1 4.24Å; K115-L117 HydrophobicContact CB-CG 4.31Å; K115-L117 HydrophobicContact CD-CD1 4.14Å; K115-L117 PolarHBondContact O-N 2.7Å | ||
| 116 | V | 48.5 | Very low | 59.3 | Low | 110 Ų | 110 | 107.1 Ų | 107.1 | 67% | 0.667 | 57% | 0.574 | S | S | * | * | trans | -78.9 | 42.7 | -177 | -162.8 | 0 | 0 | 0 | 0 | 110.4 | P114 G118 | P114-V116 WeakPolarHBondContact O-CG2 3.4Å; P114-V116 PolarHBondContact O-N 2.98Å; V116-G118 PolarHBondContact O-N 2.92Å | ||
| 117 | L | 51.6 | Low | 60.9 | Low | 119 Ų | 119 | 103.9 Ų | 103.9 | 62% | 0.623 | 56% | 0.56 | S | S | * | * | trans | -76.9 | 31.9 | 168 | -65.6 | 172.6 | 0 | 0 | 0 | 111.1 | K115 F119 | K115-L117 HydrophobicContact CB-CD1 4.24Å; K115-L117 HydrophobicContact CB-CG 4.31Å; K115-L117 HydrophobicContact CD-CD1 4.14Å; K115-L117 PolarHBondContact O-N 2.7Å; L117-F119 HydrophobicContact CD2-CZ 4.3Å; L117-F119 PolarHBondContact O-N 3.42Å | ||
| 118 | G | 60.1 | Low | 62.2 | Low | 34 Ų | 34 | 98.6 Ų | 98.6 | 35% | 0.351 | 53% | 0.532 | S | S | . | . | trans | -83.6 | 85.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | V116 T242 R252 | V116-G118 PolarHBondContact O-N 2.92Å; G118-T242 WeakPolarHBondContact O-CG2 3.06Å; G118-R252 VanDerWaalsContact O-CZ 3.24Å; G118-R252 PolarHBondContact O-NH1 2.79Å; G118-R252 PolarHBondContact O-NH2 3.29Å | ||
| 119 | F | 67.6 | Low | 63.6 | Low | 97 Ų | 97 | 93.3 Ų | 93.3 | 43% | 0.425 | 50% | 0.497 | S | S | . | . | trans | -57.1 | 158.4 | 165.4 | -53.7 | -66.2 | 0 | 0 | 0 | 110 | L117 N121 K239 Q240 | L117-F119 HydrophobicContact CD2-CZ 4.3Å; L117-F119 PolarHBondContact O-N 3.42Å; F119-N121 PolarHBondContact O-N 2.9Å; F119-K239 WeakPolarHBondContact CB-O 3.48Å; F119-K239 WeakPolarHBondContact CD1-O 3.5Å; F119-K239 WeakPolarHBondContact CG-O 3.41Å; F119-Q240 VanDerWaalsContact CE1-O 3.3Å; F119-Q240 WeakPolarHBondContact CE1-O 3.46Å | ||
| 120 | M | 71.2 | Confident | 65 | Low | 5 Ų | 5 | 86.9 Ų | 86.9 | 3% | 0.025 | 47% | 0.47 | C | S | . | . | trans | -76.4 | 110.9 | -178.2 | -68.9 | -169.6 | 70.7 | 0 | 0 | 110.7 | E124 L125 L128 L238 T242 V251 L255 | M120-E124 HydrophobicContact CB-CB 4.18Å; M120-E124 HydrophobicContact CE-CB 3.65Å; M120-L125 HydrophobicContact CB-CD2 3.85Å; M120-L125 HydrophobicContact CB-CG 4.18Å; M120-L128 HydrophobicContact CE-CD1 3.97Å; M120-L128 HydrophobicContact CE-CG 4.49Å; M120-L238 HydrophobicContact CB-CB 4.26Å; M120-L238 PolarHBondContact N-O 3.38Å; M120-L238 VanDerWaalsContact N-O 3.13Å; M120-L238 HydrophobicContact SD-CB 4.29Å; M120-L238 HydrophobicContact SD-CD1 4.06Å; M120-L238 HydrophobicContact SD-CD2 4Å; M120-L238 HydrophobicContact SD-CG 4.35Å; M120-T242 HydrophobicContact CG-CG2 4.09Å; M120-V251 HydrophobicContact CE-CG1 4.02Å; M120-V251 HydrophobicContact SD-CB 4.09Å; M120-V251 HydrophobicContact SD-CG1 3.6Å; M120-V251 VanDerWaalsContact SD-CG1 3.6Å; M120-L255 HydrophobicContact CE-CD1 3.88Å | ||
| 121 | N | 78 | Confident | 66.4 | Low | 116 Ų | 116 | 82 Ų | 82 | 62% | 0.62 | 44% | 0.438 | S | S | * | . | trans | -61.1 | 158.9 | 173.5 | -70.8 | -35.3 | 0 | 0 | 0 | 111.2 | F119 D123 E124 L125 | F119-N121 PolarHBondContact O-N 2.9Å; N121-D123 PolarHBondContact O-N 3.07Å; N121-D123 VanDerWaalsContact O-N 3.08Å; N121-E124 HydrophobicContact CB-CG 4.48Å; N121-E124 WeakPolarHBondContact O-CA 3.24Å; N121-E124 WeakPolarHBondContact O-CB 3.42Å; N121-E124 PolarHBondContact O-N 3.27Å; N121-L125 PolarHBondContact O-N 2.84Å | ||
| 122 | A | 79.1 | Confident | 67.8 | Low | 62 Ų | 62 | 77 Ų | 77 | 51% | 0.512 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -51.7 | -37.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L125 K126 | A122-L125 WeakPolarHBondContact O-CB 3.32Å; A122-L125 PolarHBondContact O-N 2.7Å; A122-K126 WeakPolarHBondContact O-CG 3.47Å; A122-K126 PolarHBondContact O-N 3.46Å |
| 123 | D | 79.8 | Confident | 69.3 | Low | 90 Ų | 90 | 73.3 Ų | 73.3 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -81.1 | -13.5 | 177.7 | -54.2 | -62.1 | 0 | 0 | 0 | 114.5 | N121 K126 K127 | N121-D123 PolarHBondContact O-N 3.07Å; N121-D123 VanDerWaalsContact O-N 3.08Å; D123-K126 WeakPolarHBondContact OD1-CD 3.44Å; D123-K126 WeakPolarHBondContact OD1-CE 3.47Å; D123-K126 IonicContact OD1-NZ 3.12Å; D123-K126 PolarHBondContact OD1-NZ 3.23Å; D123-K127 WeakPolarHBondContact O-CD 3.23Å; D123-K127 WeakPolarHBondContact O-CE 3.32Å; D123-K127 WeakPolarHBondContact O-CG 3.38Å |
| 124 | E | 79.1 | Confident | 70.6 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 22% | 0.22 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.6 | -37.8 | 162.3 | -60.1 | -151.7 | 125.4 | 0 | 0 | 110.8 | M120 N121 K127 R252 | M120-E124 HydrophobicContact CB-CB 4.18Å; M120-E124 HydrophobicContact CE-CB 3.65Å; N121-E124 HydrophobicContact CB-CG 4.48Å; N121-E124 WeakPolarHBondContact O-CA 3.24Å; N121-E124 WeakPolarHBondContact O-CB 3.42Å; N121-E124 PolarHBondContact O-N 3.27Å; E124-K127 WeakPolarHBondContact O-CB 3.41Å; E124-K127 PolarHBondContact O-N 2.94Å; E124-R252 IonicContact OE2-NH1 3.67Å; E124-R252 PolarHBondContact OE2-NH1 2.9Å |
| 125 | L | 80.3 | Confident | 71.8 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 176.7 | -61.4 | 172.9 | 0 | 0 | 0 | 112.1 | M120 N121 A122 K127 L128 R221 D235 L238 | M120-L125 HydrophobicContact CB-CD2 3.85Å; M120-L125 HydrophobicContact CB-CG 4.18Å; N121-L125 PolarHBondContact O-N 2.84Å; A122-L125 WeakPolarHBondContact O-CB 3.32Å; A122-L125 PolarHBondContact O-N 2.7Å; L125-K127 PolarHBondContact O-N 2.74Å; L125-K127 VanDerWaalsContact O-N 3.16Å; L125-L128 HydrophobicContact CD2-CD1 4.34Å; L125-L128 PolarHBondContact O-N 2.93Å; L125-L128 VanDerWaalsContact O-N 3.13Å; L125-R221 PolarHBondContact O-NH1 3.43Å; L125-D235 HydrophobicContact CD1-CB 4.29Å; L125-L238 HydrophobicContact CD2-CB 3.63Å; L125-L238 HydrophobicContact CD2-CD1 3.5Å; L125-L238 VanDerWaalsContact CD2-CD1 3.5Å; L125-L238 HydrophobicContact CD2-CG 4.23Å |
| 126 | K | 79.7 | Confident | 72.8 | Confident | 134 Ų | 134 | 64.3 Ų | 64.3 | 58% | 0.583 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.1 | 173.8 | -71.2 | 170.5 | -162.6 | 167.7 | 0 | 114 | A122 D123 | A122-K126 WeakPolarHBondContact O-CG 3.47Å; A122-K126 PolarHBondContact O-N 3.46Å; D123-K126 WeakPolarHBondContact OD1-CD 3.44Å; D123-K126 WeakPolarHBondContact OD1-CE 3.47Å; D123-K126 IonicContact OD1-NZ 3.12Å; D123-K126 PolarHBondContact OD1-NZ 3.23Å |
| 127 | K | 79.8 | Confident | 73 | Confident | 123 Ų | 123 | 67.7 Ų | 67.7 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.7 | 179.1 | -64.9 | 164.2 | -170 | 161 | 0 | 113.5 | D123 E124 L125 | D123-K127 WeakPolarHBondContact O-CD 3.23Å; D123-K127 WeakPolarHBondContact O-CE 3.32Å; D123-K127 WeakPolarHBondContact O-CG 3.38Å; E124-K127 WeakPolarHBondContact O-CB 3.41Å; E124-K127 PolarHBondContact O-N 2.94Å; L125-K127 PolarHBondContact O-N 2.74Å; L125-K127 VanDerWaalsContact O-N 3.16Å |
| 128 | L | 77.9 | Confident | 72.9 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -80.9 | 128.1 | 177.2 | -72.6 | 165.7 | 0 | 0 | 0 | 110.1 | M120 L125 R221 L223 L238 V251 L255 | M120-L128 HydrophobicContact CE-CD1 3.97Å; M120-L128 HydrophobicContact CE-CG 4.49Å; L125-L128 HydrophobicContact CD2-CD1 4.34Å; L125-L128 PolarHBondContact O-N 2.93Å; L125-L128 VanDerWaalsContact O-N 3.13Å; L128-R221 HydrophobicContact CB-CG 3.85Å; L128-R221 PolarHBondContact O-NH1 3.45Å; L128-L223 HydrophobicContact CD1-CD2 4.2Å; L128-L223 HydrophobicContact CD2-CD2 4.4Å; L128-L238 HydrophobicContact CD1-CD1 3.6Å; L128-V251 HydrophobicContact CD1-CG1 4.14Å; L128-V251 HydrophobicContact CD2-CG1 3.93Å; L128-L255 HydrophobicContact CD2-CD1 3.93Å; L128-L255 HydrophobicContact CD2-CD2 3.96Å; L128-L255 HydrophobicContact CD2-CG 4.07Å; L128-L255 HydrophobicContact CG-CD1 4.29Å |
| 129 | P | 78.1 | Confident | 72 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.019 | 36% | 0.356 | C | S | . | . | trans | -61 | 153.3 | -179.7 | 20.1 | -27.1 | 0 | 0 | 0 | 112.2 | V191 R221 H222 | P129-V191 HydrophobicContact CG-CB 4.03Å; P129-V191 HydrophobicContact CG-CG2 3.72Å; P129-R221 WeakPolarHBondContact O-CG 3.38Å; P129-H222 HydrophobicContact CG-CB 4.07Å; P129-H222 PolarHBondContact O-N 2.96Å | ||
| 130 | T | 79.9 | Confident | 70.7 | Confident | 31 Ų | 31 | 71.4 Ų | 71.4 | 19% | 0.19 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 166 | -180 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | S185 L220 R221 M231 | T130-S185 WeakPolarHBondContact O-CB 3.13Å; T130-S185 PolarHBondContact O-OG 2.91Å; T130-L220 CarbonylContact C-O 3.58Å; T130-L220 WeakPolarHBondContact CA-O 3.41Å; T130-L220 VanDerWaalsContact CB-O 3.27Å; T130-L220 WeakPolarHBondContact CB-O 3.38Å; T130-R221 HydrophobicContact CG2-CB 4.24Å; T130-R221 HydrophobicContact CG2-CG 4.36Å; T130-M231 HydrophobicContact CG2-CE 3.92Å; T130-M231 HydrophobicContact CG2-CG 4.11Å; T130-M231 HydrophobicContact CG2-SD 3.8Å |
| 131 | S | 77.6 | Confident | 69.2 | Low | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 166.9 | 169.4 | 66.2 | 0 | 0 | 0 | 0 | 109.1 | L220 H222 | S131-L220 PolarHBondContact N-O 3.2Å; S131-L220 PolarHBondContact O-N 2.87Å; S131-H222 PolarHBondContact OG-NE2 2.98Å |
| 132 | I | 79.1 | Confident | 67.5 | Low | 30 Ų | 30 | 76.3 Ų | 76.3 | 15% | 0.154 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.1 | 168.4 | -77.1 | 167.7 | 0 | 0 | 0 | 107.8 | R134 E182 E184 K217 D218 R219 | I132-R134 HydrophobicContact CG2-CG 4.25Å; I132-E182 PolarHBondContact N-O 3.33Å; I132-E182 PolarHBondContact O-N 3.39Å; I132-E182 VanDerWaalsContact O-N 3.07Å; I132-E184 HydrophobicContact CB-CB 4.42Å; I132-E184 HydrophobicContact CB-CG 4.24Å; I132-E184 HydrophobicContact CD1-CB 4.02Å; I132-E184 HydrophobicContact CD1-CG 4.25Å; I132-E184 WeakPolarHBondContact CD1-OE2 3.16Å; I132-E184 HydrophobicContact CG1-CB 4.39Å; I132-K217 HydrophobicContact CG2-CB 4.49Å; I132-D218 WeakPolarHBondContact CA-O 3.35Å; I132-R219 HydrophobicContact CD1-CG 4.24Å; I132-R219 HydrophobicContact CG1-CG 3.87Å |
| 133 | Y | 76.9 | Confident | 65.8 | Low | 4 Ų | 4 | 80.3 Ų | 80.3 | 2% | 0.016 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 130.6 | 175.9 | -175.8 | -94.4 | 0 | 0 | 0 | 108.8 | I135 H179 L181 I196 P205 Y214 Q215 K217 D218 L220 | Y133-I135 HydrophobicContact CD1-CG1 4.12Å; Y133-I135 HydrophobicContact CE1-CD1 4.03Å; Y133-I135 HydrophobicContact CE1-CG1 3.41Å; Y133-I135 VanDerWaalsContact CE1-CG1 3.41Å; Y133-H179 HydrophobicContact CE2-CB 4.26Å; Y133-H179 WeakPolarHBondContact OH-CB 3.19Å; Y133-L181 HydrophobicContact CD2-CD2 3.52Å; Y133-L181 HydrophobicContact CE2-CD2 4.35Å; Y133-L181 HydrophobicContact CG-CD2 4.31Å; Y133-I196 HydrophobicContact CD2-CD1 4.4Å; Y133-P205 HydrophobicContact CE2-CG 3.98Å; Y133-P205 WeakPolarHBondContact OH-CG 3.35Å; Y133-Y214 HydrophobicContact CD2-CD2 4.39Å; Y133-Y214 HydrophobicContact CD2-CG 4.2Å; Y133-Y214 WeakPolarHBondContact CE1-O 3.43Å; Y133-Y214 HydrophobicContact CE2-CD2 4.28Å; Y133-Y214 HydrophobicContact CE2-CG 4.36Å; Y133-Y214 HydrophobicContact CG-CG 4.47Å; Y133-Q215 VanDerWaalsContact CD1-O 3.3Å; Y133-Q215 WeakPolarHBondContact CD1-O 3.31Å; Y133-K217 WeakPolarHBondContact O-CA 3.34Å; Y133-K217 PolarHBondContact O-N 2.95Å; Y133-D218 PolarHBondContact N-O 2.93Å; Y133-L220 HydrophobicContact CD2-CD1 4.14Å; Y133-L220 HydrophobicContact CG-CD1 4.5Å |
| 134 | R | 73.4 | Confident | 64.1 | Low | 96 Ų | 96 | 84.1 Ų | 84.1 | 36% | 0.362 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 123.9 | 179.2 | -69.6 | -171.3 | -178 | -173.9 | -0.2 | 110.7 | I132 K136 E182 E184 D216 | I132-R134 HydrophobicContact CG2-CG 4.25Å; R134-K136 PolarHBondContact O-N 3.44Å; R134-K136 VanDerWaalsContact O-N 3.16Å; R134-E182 VanDerWaalsContact CD-OE2 3.26Å; R134-E182 WeakPolarHBondContact CD-OE2 3.14Å; R134-E182 HydrophobicContact CG-CB 4.3Å; R134-E182 IonicContact CZ-OE1 3.39Å; R134-E182 IonicContact CZ-OE2 3.24Å; R134-E182 VanDerWaalsContact CZ-OE2 3.31Å; R134-E182 IonicContact NE-OE1 2.78Å; R134-E182 IonicContact NE-OE2 2.76Å; R134-E182 IonicContact NH1-OE1 3.23Å; R134-E182 PolarHBondContact NH1-OE1 3.33Å; R134-E182 IonicContact NH1-OE2 3.92Å; R134-E182 PolarHBondContact NH1-OE2 2.99Å; R134-E182 IonicContact NH2-OE1 3.44Å; R134-E182 PolarHBondContact NH2-OE1 3.01Å; R134-E184 IonicContact CZ-OE1 3.41Å; R134-E184 IonicContact NE-OE1 2.68Å; R134-E184 PolarHBondContact NE-OE1 3.37Å; R134-E184 IonicContact NH2-OE1 3.72Å; R134-E184 PolarHBondContact NH2-OE1 2.92Å; R134-D216 VanDerWaalsContact CA-OD1 3.28Å; R134-D216 WeakPolarHBondContact CA-OD1 3.46Å |
| 135 | I | 67.7 | Low | 62.4 | Low | 63 Ų | 63 | 86.5 Ų | 86.5 | 32% | 0.323 | 47% | 0.474 | S | S | . | . | trans | -83.9 | 95.8 | 179.1 | -58.6 | 177 | 0 | 0 | 0 | 108.2 | Y133 K137 D216 | Y133-I135 HydrophobicContact CD1-CG1 4.12Å; Y133-I135 HydrophobicContact CE1-CD1 4.03Å; Y133-I135 HydrophobicContact CE1-CG1 3.41Å; Y133-I135 VanDerWaalsContact CE1-CG1 3.41Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 HydrophobicContact CG2-CG 4.41Å; I135-K137 PolarHBondContact O-N 3.27Å; I135-D216 HydrophobicContact CD1-CB 4.3Å; I135-D216 HydrophobicContact CG1-CB 4.25Å; I135-D216 PolarHBondContact N-OD1 3.36Å | ||
| 136 | K | 63.1 | Low | 60.3 | Low | 173 Ų | 173 | 95.8 Ų | 95.8 | 75% | 0.752 | 51% | 0.514 | S | S | * | . | trans | -67 | 92.4 | 165.9 | -170.5 | 175.2 | -175.8 | 178.8 | 0 | 108.9 | R134 T138 | R134-K136 PolarHBondContact O-N 3.44Å; R134-K136 VanDerWaalsContact O-N 3.16Å; K136-T138 PolarHBondContact O-N 3.48Å | ||
| 137 | K | 52.7 | Low | 58.5 | Low | 180 Ų | 180 | 95.8 Ų | 95.8 | 78% | 0.783 | 53% | 0.526 | S | S | * | . | trans | -58.8 | 117.2 | 169.6 | -67.9 | -174.7 | 178.2 | -175.5 | 0 | 108.5 | I135 S139 | I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 HydrophobicContact CG2-CG 4.41Å; I135-K137 PolarHBondContact O-N 3.27Å; K137-S139 PolarHBondContact O-N 3.01Å | ||
| 138 | T | 49.1 | Very low | 56.8 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 72% | 0.724 | 53% | 0.534 | S | S | * | . | trans | -73 | 103.8 | 160.9 | 46.4 | 0 | 0 | 0 | 0 | 107 | K136 S140 | K136-T138 PolarHBondContact O-N 3.48Å; T138-S140 VanDerWaalsContact C-N 3.3Å; T138-S140 PolarHBondContact O-N 3.33Å | ||
| 139 | S | 41 | Very low | 55 | Low | 98 Ų | 98 | 100.8 Ų | 100.8 | 69% | 0.685 | 57% | 0.573 | S | S | * | * | trans | -70.5 | 86.8 | 176 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | K137 T141 | K137-S139 PolarHBondContact O-N 3.01Å; S139-T141 PolarHBondContact O-N 2.86Å | ||
| 140 | S | 41.2 | Very low | 53.1 | Low | 113 Ų | 113 | 107.9 Ų | 107.9 | 79% | 0.79 | 61% | 0.611 | S | S | * | * | trans | -75.3 | 66.9 | 167.1 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | T138 | T138-S140 VanDerWaalsContact C-N 3.3Å; T138-S140 PolarHBondContact O-N 3.33Å | ||
| 141 | T | 39.9 | Very low | 51.3 | Low | 111 Ų | 111 | 111.9 Ų | 111.9 | 68% | 0.681 | 64% | 0.64 | S | S | * | * | trans | -97.1 | 87.4 | 168.4 | 46.8 | 0 | 0 | 0 | 0 | 107.7 | S139 D143 | S139-T141 PolarHBondContact O-N 2.86Å; T141-D143 PolarHBondContact O-N 2.65Å | ||
| 142 | S | 41.4 | Very low | 49.6 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | trans | -91.8 | 82.4 | 168.5 | 53.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 143 | D | 44.8 | Very low | 47.6 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | trans | -140.6 | 135.3 | 171 | -71.5 | -69.2 | 0 | 0 | 0 | 107.9 | T141 | T141-D143 PolarHBondContact O-N 2.65Š| ||
| 144 | D | 42.4 | Very low | 45.8 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -83.6 | 129 | -164.1 | -57.6 | -88.6 | 0 | 0 | 0 | 114.3 | ||||
| 145 | A | 44.4 | Very low | 44 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -151.8 | 117 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 146 | F | 36 | Very low | 42.5 | Very low | 205 Ų | 205 | 133.2 Ų | 133.2 | 90% | 0.899 | 78% | 0.784 | S | S | * | * | trans | -105.6 | 100.3 | -173.9 | -166.7 | -80.7 | 0 | 0 | 0 | 110.6 | ||||
| 147 | T | 41.2 | Very low | 41.3 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -141.4 | 134.5 | 174.6 | -40.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 148 | S | 44.6 | Very low | 40.6 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -74.7 | 156 | -170.9 | -55.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 149 | P | 41.5 | Very low | 40 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -92.6 | 137.5 | -179.9 | 35.4 | -33.3 | 0 | 0 | 0 | 113.8 | ||||
| 150 | D | 37.9 | Very low | 39.5 | Very low | 151 Ų | 151 | 133.5 Ų | 133.5 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | -158.4 | 178.5 | 156.8 | -159 | -1.7 | 0 | 0 | 0 | 110 | ||||
| 151 | S | 42 | Very low | 39.1 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 93 | 88.5 | -178.5 | -53.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 152 | T | 41.1 | Very low | 38.9 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -75.1 | 154.6 | 173.2 | -77.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 153 | T | 38.2 | Very low | 38.3 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 68.4 | 156 | 175.5 | 53.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 154 | K | 38.9 | Very low | 37.7 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | cis | -145.1 | 162.3 | 14 | -138.4 | 156.9 | -173.1 | 172.6 | 0 | 111.1 | ||||
| 155 | A | 34.3 | Very low | 37.3 | Very low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -92.9 | 151 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 156 | S | 37.5 | Very low | 36.8 | Very low | 105 Ų | 105 | 136.2 Ų | 136.2 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -164.7 | 129.1 | 149.9 | 44.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 157 | N | 37.6 | Very low | 36.6 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | 56.4 | 99.5 | 147.9 | -55.7 | -19.5 | 0 | 0 | 0 | 121.3 | ||||
| 158 | T | 37.7 | Very low | 36.3 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | trans | -160.2 | 154.6 | 136.5 | 8.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 159 | P | 37.5 | Very low | 36.1 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -84.3 | 146.2 | -162.1 | 32 | -35.2 | 0 | 0 | 0 | 115.1 | ||||
| 160 | N | 29.7 | Very low | 35.9 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -54.4 | 136 | 169.5 | -83.9 | -62.4 | 0 | 0 | 0 | 113.2 | ||||
| 161 | I | 32.8 | Very low | 35.8 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -144.7 | 134.7 | 140.1 | -94.7 | 130.6 | 0 | 0 | 0 | 109.1 | ||||
| 162 | V | 34.5 | Very low | 35.6 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | trans | -67.1 | 138.8 | -161.1 | -144.3 | 0 | 0 | 0 | 0 | 113.9 | V164 | V162-V164 PolarHBondContact O-N 2.87Š| ||
| 163 | P | 29.5 | Very low | 35.6 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -73.2 | 119.7 | 162.2 | 30.3 | -32.5 | 0 | 0 | 0 | 110 | L165 | P163-L165 PolarHBondContact O-N 3.25Å; P163-L165 VanDerWaalsContact O-N 3.13Å | ||
| 164 | V | 32.8 | Very low | 35.9 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -82.5 | 88.9 | 168.7 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | V162 N166 | V162-V164 PolarHBondContact O-N 2.87Å; V164-N166 PolarHBondContact O-N 3.09Å | ||
| 165 | L | 34 | Very low | 35.9 | Very low | 125 Ų | 125 | 136 Ų | 136 | 65% | 0.654 | 78% | 0.777 | S | S | * | * | trans | -60.8 | 130.3 | 167.9 | -77.7 | 167.2 | 0 | 0 | 0 | 110.1 | P163 E167 | P163-L165 PolarHBondContact O-N 3.25Å; P163-L165 VanDerWaalsContact O-N 3.13Å; L165-E167 HydrophobicContact CB-CG 4.21Å; L165-E167 HydrophobicContact CD1-CG 4.46Å | ||
| 166 | N | 34 | Very low | 36.1 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -108.8 | 73 | 157.8 | -175 | 98.2 | 0 | 0 | 0 | 107.3 | V164 | V164-N166 PolarHBondContact O-N 3.09Š| ||
| 167 | E | 30.8 | Very low | 36.6 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 62% | 0.621 | 76% | 0.759 | S | S | * | * | trans | -55.3 | 143.4 | 172.8 | -76.7 | 158.3 | 103.5 | 0 | 0 | 110.8 | L165 | L165-E167 HydrophobicContact CB-CG 4.21Å; L165-E167 HydrophobicContact CD1-CG 4.46Å | ||
| 168 | N | 35.5 | Very low | 37.2 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 121.5 | 14.5 | 177 | -64.2 | -46 | 0 | 0 | 0 | 117.1 | ||
| 169 | Q | 40.9 | Very low | 38.1 | Very low | 188 Ų | 188 | 124.9 Ų | 124.9 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | trans | -136.2 | 81.1 | 158.5 | -69.8 | -167.2 | 1.5 | 0 | 0 | 110.9 | ||||
| 170 | N | 36.9 | Very low | 39 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | -77.1 | 151 | 175.5 | -62.8 | -14.7 | 0 | 0 | 0 | 110.7 | ||||
| 171 | N | 36.3 | Very low | 40.3 | Very low | 154 Ų | 154 | 119 Ų | 119 | 82% | 0.824 | 67% | 0.666 | S | S | * | * | trans | 54.8 | 71.7 | 174.8 | -71 | 1.9 | 0 | 0 | 0 | 116.7 | ||||
| 172 | M | 37.7 | Very low | 41.3 | Very low | 177 Ų | 177 | 114.7 Ų | 114.7 | 87% | 0.872 | 64% | 0.642 | S | S | * | * | trans | -124.8 | 113.9 | 144.4 | -81.5 | -75.5 | 106 | 0 | 0 | 108.7 | ||||
| 173 | T | 41.6 | Very low | 42.2 | Very low | 134 Ų | 134 | 112.3 Ų | 112.3 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | trans | -61.9 | 136.6 | 175.5 | -25.3 | 0 | 0 | 0 | 0 | 109.4 | S175 | T173-S175 PolarHBondContact O-N 3.02Š| ||
| 174 | P | 42.6 | Very low | 43.3 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | trans | -62.3 | 112.3 | 179.2 | -22.4 | 33.6 | 0 | 0 | 0 | 110.9 | ||||
| 175 | S | 39.7 | Very low | 44.2 | Very low | 89 Ų | 89 | 105.9 Ų | 105.9 | 62% | 0.622 | 58% | 0.583 | S | S | * | * | trans | -62.1 | 139.8 | 172 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | T173 G177 T178 | T173-S175 PolarHBondContact O-N 3.02Å; S175-G177 PolarHBondContact O-N 3.13Å; S175-T178 PolarHBondContact O-N 2.97Å; S175-T178 PolarHBondContact O-OG1 2.88Å | ||
| 176 | A | 39.6 | Very low | 45 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 80% | 0.802 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | 116.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 177 | G | 47.3 | Very low | 45.7 | Very low | 34 Ų | 34 | 106.2 Ų | 106.2 | 35% | 0.351 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 122.2 | -7.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | S175 H179 | S175-G177 PolarHBondContact O-N 3.13Å; G177-H179 PolarHBondContact O-CD2 3.16Å; G177-H179 VanDerWaalsContact O-CD2 3.29Å; G177-H179 PolarHBondContact O-N 3.43Å; G177-H179 VanDerWaalsContact O-N 3.11Å |
| 178 | T | 50.4 | Low | 46.7 | Very low | 97 Ų | 97 | 104.9 Ų | 104.9 | 60% | 0.595 | 58% | 0.579 | S | S | * | * | trans | -77.8 | 94.1 | 175.2 | 59.6 | 0 | 0 | 0 | 0 | 112.4 | S175 | S175-T178 PolarHBondContact O-N 2.97Å; S175-T178 PolarHBondContact O-OG1 2.88Å | ||
| 179 | H | 56.4 | Low | 47.6 | Very low | 36 Ų | 36 | 103 Ų | 103 | 17% | 0.167 | 57% | 0.573 | C | S | . | * | trans | -81 | 145.8 | 171 | -57.8 | -80.2 | 0 | 0 | 0 | 111.6 | Y133 G177 P205 | Y133-H179 HydrophobicContact CE2-CB 4.26Å; Y133-H179 WeakPolarHBondContact OH-CB 3.19Å; G177-H179 PolarHBondContact O-CD2 3.16Å; G177-H179 VanDerWaalsContact O-CD2 3.29Å; G177-H179 PolarHBondContact O-N 3.43Å; G177-H179 VanDerWaalsContact O-N 3.11Å; H179-P205 HydrophobicContact CB-CG 4.46Å | ||
| 180 | Y | 55.7 | Low | 48.4 | Very low | 152 Ų | 152 | 96 Ų | 96 | 60% | 0.596 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 153.8 | -174.4 | -165.3 | -102.7 | 0 | 0 | 0 | 112.5 | ||
| 181 | L | 57.4 | Low | 49.6 | Very low | 4 Ų | 4 | 89.7 Ų | 89.7 | 2% | 0.021 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.9 | 177.6 | -67.9 | -177.3 | 0 | 0 | 0 | 110.3 | Y133 P183 I193 I196 L220 H222 | Y133-L181 HydrophobicContact CD2-CD2 3.52Å; Y133-L181 HydrophobicContact CE2-CD2 4.35Å; Y133-L181 HydrophobicContact CG-CD2 4.31Å; L181-P183 WeakPolarHBondContact O-CD 3.39Å; L181-I193 HydrophobicContact CB-CG2 4.09Å; L181-I193 HydrophobicContact CD1-CG2 3.6Å; L181-I193 HydrophobicContact CG-CG2 4.48Å; L181-I196 HydrophobicContact CD1-CD1 4.11Å; L181-I196 HydrophobicContact CD1-CG1 3.76Å; L181-I196 HydrophobicContact CD2-CD1 3.91Å; L181-I196 HydrophobicContact CD2-CG1 4.11Å; L181-I196 HydrophobicContact CG-CD1 4.4Å; L181-I196 HydrophobicContact CG-CG1 4.09Å; L181-L220 HydrophobicContact CD2-CD1 3.85Å; L181-H222 VanDerWaalsContact CD1-CE1 3.41Å; L181-H222 WeakPolarHBondContact CD1-CE1 3.2Å |
| 182 | E | 54.5 | Low | 50.7 | Low | 78 Ų | 78 | 90.6 Ų | 90.6 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 118.8 | 173.9 | -153.9 | 168 | 126.5 | 0 | 0 | 110.4 | I132 R134 E184 | I132-E182 PolarHBondContact N-O 3.33Å; I132-E182 PolarHBondContact O-N 3.39Å; I132-E182 VanDerWaalsContact O-N 3.07Å; R134-E182 VanDerWaalsContact CD-OE2 3.26Å; R134-E182 WeakPolarHBondContact CD-OE2 3.14Å; R134-E182 HydrophobicContact CG-CB 4.3Å; R134-E182 IonicContact CZ-OE1 3.39Å; R134-E182 IonicContact CZ-OE2 3.24Å; R134-E182 VanDerWaalsContact CZ-OE2 3.31Å; R134-E182 IonicContact NE-OE1 2.78Å; R134-E182 IonicContact NE-OE2 2.76Å; R134-E182 IonicContact NH1-OE1 3.23Å; R134-E182 PolarHBondContact NH1-OE1 3.33Å; R134-E182 IonicContact NH1-OE2 3.92Å; R134-E182 PolarHBondContact NH1-OE2 2.99Å; R134-E182 IonicContact NH2-OE1 3.44Å; R134-E182 PolarHBondContact NH2-OE1 3.01Å; E182-E184 VanDerWaalsContact C-N 3.3Å; E182-E184 PolarHBondContact O-N 3.33Å |
| 183 | P | 52.4 | Low | 51.9 | Low | 72 Ų | 72 | 84.6 Ų | 84.6 | 47% | 0.468 | 48% | 0.478 | S | S | . | . | trans | -81 | 73.2 | -173.7 | 33.6 | -36.4 | 0 | 0 | 0 | 111.8 | L181 S185 I193 | L181-P183 WeakPolarHBondContact O-CD 3.39Å; P183-S185 PolarHBondContact O-N 3.43Å; P183-I193 HydrophobicContact CB-CD1 3.81Å | ||
| 184 | E | 52.2 | Low | 52.7 | Low | 90 Ų | 90 | 84 Ų | 84 | 42% | 0.421 | 47% | 0.466 | S | S | . | . | trans | -70.3 | 13 | 175.3 | -65.3 | -170.2 | -135 | 0 | 0 | 114.3 | I132 R134 E182 K186 | I132-E184 HydrophobicContact CB-CB 4.42Å; I132-E184 HydrophobicContact CB-CG 4.24Å; I132-E184 HydrophobicContact CD1-CB 4.02Å; I132-E184 HydrophobicContact CD1-CG 4.25Å; I132-E184 WeakPolarHBondContact CD1-OE2 3.16Å; I132-E184 HydrophobicContact CG1-CB 4.39Å; R134-E184 IonicContact CZ-OE1 3.41Å; R134-E184 IonicContact NE-OE1 2.68Å; R134-E184 PolarHBondContact NE-OE1 3.37Å; R134-E184 IonicContact NH2-OE1 3.72Å; R134-E184 PolarHBondContact NH2-OE1 2.92Å; E182-E184 VanDerWaalsContact C-N 3.3Å; E182-E184 PolarHBondContact O-N 3.33Å; E184-K186 PolarHBondContact O-N 2.65Å | ||
| 185 | S | 51.6 | Low | 53.6 | Low | 23 Ų | 23 | 82.7 Ų | 82.7 | 16% | 0.161 | 46% | 0.457 | C | S | . | . | trans | -78.7 | 118.8 | -179.6 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | T130 P183 T187 | T130-S185 WeakPolarHBondContact O-CB 3.13Å; T130-S185 PolarHBondContact O-OG 2.91Å; P183-S185 PolarHBondContact O-N 3.43Å; S185-T187 PolarHBondContact O-N 3.03Å | ||
| 186 | K | 50.9 | Low | 54.8 | Low | 220 Ų | 220 | 79.9 Ų | 79.9 | 96% | 0.957 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -70.8 | 18.4 | 166.7 | -59.6 | -178.7 | 179.8 | -179.9 | 0 | 113.9 | E184 | E184-K186 PolarHBondContact O-N 2.65Š|
| 187 | T | 49.2 | Very low | 55.7 | Low | 56 Ų | 56 | 83.5 Ų | 83.5 | 34% | 0.344 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -114.8 | 126.5 | 178.1 | 43.5 | 0 | 0 | 0 | 0 | 110.1 | S185 T189 | S185-T187 PolarHBondContact O-N 3.03Å; T187-T189 PolarHBondContact O-N 3.27Å |
| 188 | T | 52.1 | Low | 56.4 | Low | 106 Ų | 106 | 83.3 Ų | 83.3 | 65% | 0.65 | 43% | 0.428 | S | S | * | . | trans | -50.1 | 129.6 | -173.7 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | L190 | T188-L190 VanDerWaalsContact C-N 3.35Å; T188-L190 PolarHBondContact O-N 3.18Å | ||
| 189 | T | 53.9 | Low | 56.6 | Low | 110 Ų | 110 | 80.5 Ų | 80.5 | 68% | 0.675 | 41% | 0.413 | S | S | * | . | trans | -57.9 | 83.3 | -172.6 | -43 | 0 | 0 | 0 | 0 | 113.6 | T187 V191 | T187-T189 PolarHBondContact O-N 3.27Å; T189-V191 VanDerWaalsContact C-N 3.32Å; T189-V191 WeakPolarHBondContact CG2-O 3.4Å | ||
| 190 | L | 58.9 | Low | 56.5 | Low | 40 Ų | 40 | 85.3 Ų | 85.3 | 21% | 0.209 | 45% | 0.447 | C | S | . | . | trans | -76.9 | -18.8 | 175.4 | -77.9 | 171.5 | 0 | 0 | 0 | 112.9 | T188 L258 | T188-L190 VanDerWaalsContact C-N 3.35Å; T188-L190 PolarHBondContact O-N 3.18Å; L190-L258 HydrophobicContact CB-CD1 4.43Å; L190-L258 HydrophobicContact CD2-CB 4.35Å; L190-L258 WeakPolarHBondContact O-CD1 3.35Å; L190-L258 WeakPolarHBondContact O-CD2 3.17Å | ||
| 191 | V | 61.8 | Low | 56.6 | Low | 11 Ų | 11 | 82 Ų | 82 | 7% | 0.067 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -128 | 132.2 | -174.4 | -176.8 | 0 | 0 | 0 | 0 | 109 | P129 T189 I193 L258 | P129-V191 HydrophobicContact CG-CB 4.03Å; P129-V191 HydrophobicContact CG-CG2 3.72Å; T189-V191 VanDerWaalsContact C-N 3.32Å; T189-V191 WeakPolarHBondContact CG2-O 3.4Å; V191-I193 PolarHBondContact O-N 2.81Å; V191-L258 HydrophobicContact CG2-CD1 3.71Å |
| 192 | Q | 59.1 | Low | 56.6 | Low | 173 Ų | 173 | 88.4 Ų | 88.4 | 81% | 0.808 | 48% | 0.475 | S | S | * | . | trans | -68.2 | 110 | 165.1 | -75.2 | 176.5 | -43.7 | 0 | 0 | 108.3 | Q194 | Q192-Q194 PolarHBondContact O-N 2.96Š| ||
| 193 | I | 63.6 | Low | 57.1 | Low | 50 Ų | 50 | 86.6 Ų | 86.6 | 26% | 0.256 | 48% | 0.478 | S | S | . | . | trans | -70.4 | 114.7 | 177.9 | -68.3 | 168.2 | 0 | 0 | 0 | 107.9 | L181 P183 V191 | L181-I193 HydrophobicContact CB-CG2 4.09Å; L181-I193 HydrophobicContact CD1-CG2 3.6Å; L181-I193 HydrophobicContact CG-CG2 4.48Å; P183-I193 HydrophobicContact CB-CD1 3.81Å; V191-I193 PolarHBondContact O-N 2.81Å | ||
| 194 | Q | 57.6 | Low | 57.8 | Low | 123 Ų | 123 | 87.5 Ų | 87.5 | 58% | 0.575 | 48% | 0.476 | S | S | * | . | trans | -83.7 | 145.2 | 171.5 | -63.8 | -173.5 | 11.5 | 0 | 0 | 109.4 | Q192 | Q192-Q194 PolarHBondContact O-N 2.96Š| ||
| 195 | P | 62.3 | Low | 59.1 | Low | 75 Ų | 75 | 83.4 Ų | 83.4 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | trans | -61.8 | 139.4 | 171 | 27.9 | -34.3 | 0 | 0 | 0 | 109.5 | Q197 | P195-Q197 PolarHBondContact O-N 3.44Š| ||
| 196 | I | 65 | Low | 60.8 | Low | 31 Ų | 31 | 84 Ų | 84 | 16% | 0.159 | 46% | 0.457 | C | S | . | . | trans | -75.9 | 101.2 | 177.6 | -46.9 | -175 | 0 | 0 | 0 | 108.1 | Y133 L181 S198 P205 Y214 L220 A228 | Y133-I196 HydrophobicContact CD2-CD1 4.4Å; L181-I196 HydrophobicContact CD1-CD1 4.11Å; L181-I196 HydrophobicContact CD1-CG1 3.76Å; L181-I196 HydrophobicContact CD2-CD1 3.91Å; L181-I196 HydrophobicContact CD2-CG1 4.11Å; L181-I196 HydrophobicContact CG-CD1 4.4Å; L181-I196 HydrophobicContact CG-CG1 4.09Å; I196-S198 PolarHBondContact O-N 2.88Å; I196-P205 HydrophobicContact CB-CB 4.12Å; I196-P205 HydrophobicContact CG2-CB 3.58Å; I196-Y214 HydrophobicContact CD1-CD2 3.93Å; I196-Y214 HydrophobicContact CD1-CE2 3.58Å; I196-Y214 HydrophobicContact CG2-CE2 4.19Å; I196-L220 HydrophobicContact CD1-CD1 3.52Å; I196-A228 HydrophobicContact CD1-CB 3.8Å; I196-A228 HydrophobicContact CG1-CB 4.32Å | ||
| 197 | Q | 58.3 | Low | 62.7 | Low | 172 Ų | 172 | 73.5 Ų | 73.5 | 80% | 0.804 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 122.6 | 169.9 | -64.7 | 178 | -8.3 | 0 | 0 | 108.6 | P195 | P195-Q197 PolarHBondContact O-N 3.44Š|
| 198 | S | 60.4 | Low | 64.6 | Low | 30 Ų | 30 | 74.4 Ų | 74.4 | 21% | 0.21 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 147.2 | 167.1 | 46.1 | 0 | 0 | 0 | 0 | 109.9 | I196 G203 | I196-S198 PolarHBondContact O-N 2.88Å; S198-G203 WeakPolarHBondContact CB-O 3.4Å; S198-G203 PolarHBondContact OG-O 2.96Å |
| 199 | S | 56.3 | Low | 66.4 | Low | 38 Ų | 38 | 72 Ų | 72 | 27% | 0.266 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 134.9 | 177.8 | 83.2 | 0 | 0 | 0 | 0 | 109.6 | A201 R202 G203 | S199-A201 PolarHBondContact O-N 2.92Å; S199-R202 PolarHBondContact O-N 2.82Å; S199-R202 PolarHBondContact OG-N 3.38Å; S199-G203 PolarHBondContact O-N 3.35Å |
| 200 | P | 53.1 | Low | 68.3 | Low | 137 Ų | 137 | 69 Ų | 69 | 89% | 0.89 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -2.7 | 179.4 | 28 | -35.9 | 0 | 0 | 0 | 113.5 | ||
| 201 | A | 57.3 | Low | 69.8 | Low | 84 Ų | 84 | 72.9 Ų | 72.9 | 69% | 0.694 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | -14.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | S199 | S199-A201 PolarHBondContact O-N 2.92Š|
| 202 | R | 57.5 | Low | 71 | Confident | 137 Ų | 137 | 76.9 Ų | 76.9 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | -5.9 | -178.8 | -70 | -166.1 | -85.1 | -77 | 8.4 | 115.6 | S199 H204 E206 | S199-R202 PolarHBondContact O-N 2.82Å; S199-R202 PolarHBondContact OG-N 3.38Å; R202-H204 PolarHBondContact O-N 3.02Å; R202-E206 IonicContact CZ-OE1 3.01Å; R202-E206 IonicContact CZ-OE2 3.67Å; R202-E206 IonicContact NE-OE1 3.71Å; R202-E206 PolarHBondContact NE-OE1 3.5Å; R202-E206 IonicContact NE-OE2 2.91Å; R202-E206 PolarHBondContact NE-OE2 2.91Å; R202-E206 IonicContact NH2-OE1 2.74Å; R202-E206 PolarHBondContact NH2-OE1 2.91Å; R202-E206 IonicContact NH2-OE2 2.8Å |
| 203 | G | 66 | Low | 72.4 | Confident | 41 Ų | 41 | 73.2 Ų | 73.2 | 42% | 0.423 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 74.2 | -29.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S198 S199 | S198-G203 WeakPolarHBondContact CB-O 3.4Å; S198-G203 PolarHBondContact OG-O 2.96Å; S199-G203 PolarHBondContact O-N 3.35Å |
| 204 | H | 66.9 | Low | 73.6 | Confident | 90 Ų | 90 | 71.2 Ų | 71.2 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -110.5 | 154.9 | -178.8 | -52.8 | -52.4 | 0 | 0 | 0 | 111.9 | R202 E213 | R202-H204 PolarHBondContact O-N 3.02Å; H204-E213 HydrophobicContact CB-CG 4.03Å; H204-E213 IonicContact CD2-OE1 3.45Å; H204-E213 PolarHBondContact CD2-OE1 3.01Å; H204-E213 VanDerWaalsContact CD2-OE1 3.27Å; H204-E213 IonicContact CD2-OE2 3.57Å; H204-E213 IonicContact CG-OE1 2.68Å; H204-E213 IonicContact CG-OE2 3.58Å |
| 205 | P | 79.4 | Confident | 74.8 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.032 | 39% | 0.392 | C | S | . | . | trans | -88 | 132 | 172.7 | 34.6 | -31.5 | 0 | 0 | 0 | 110.5 | Y133 H179 I196 Y214 | Y133-P205 HydrophobicContact CE2-CG 3.98Å; Y133-P205 WeakPolarHBondContact OH-CG 3.35Å; H179-P205 HydrophobicContact CB-CG 4.46Å; I196-P205 HydrophobicContact CB-CB 4.12Å; I196-P205 HydrophobicContact CG2-CB 3.58Å; P205-Y214 HydrophobicContact CB-CD2 3.98Å; P205-Y214 HydrophobicContact CB-CE2 4.45Å; P205-Y214 HydrophobicContact CG-CD2 4.27Å; P205-Y214 VanDerWaalsContact O-CD2 3.23Å; P205-Y214 WeakPolarHBondContact O-CD2 3.5Å; P205-Y214 PolarHBondContact O-N 2.8Å | ||
| 206 | E | 87.6 | Confident | 75.8 | Confident | 35 Ų | 35 | 71.3 Ų | 71.3 | 16% | 0.164 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 160.8 | -173.3 | 67.7 | -175.3 | -157.3 | 0 | 0 | 112.2 | R202 I212 Y214 | R202-E206 IonicContact CZ-OE1 3.01Å; R202-E206 IonicContact CZ-OE2 3.67Å; R202-E206 IonicContact NE-OE1 3.71Å; R202-E206 PolarHBondContact NE-OE1 3.5Å; R202-E206 IonicContact NE-OE2 2.91Å; R202-E206 PolarHBondContact NE-OE2 2.91Å; R202-E206 IonicContact NH2-OE1 2.74Å; R202-E206 PolarHBondContact NH2-OE1 2.91Å; R202-E206 IonicContact NH2-OE2 2.8Å; E206-I212 WeakPolarHBondContact CA-O 3.39Å; E206-Y214 WeakPolarHBondContact O-CE2 3.18Å; E206-Y214 PolarHBondContact O-OH 2.74Å |
| 207 | C | 90.6 | Very high | 76.7 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 112.1 | 172.6 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | I209 C210 L211 I212 Y214 H230 | C207-I209 PolarHBondContact O-N 2.96Å; C207-C210 VanDerWaalsContact CB-SG 3.59Å; C207-C210 PolarHBondContact O-N 3.5Å; C207-L211 WeakPolarHBondContact O-CA 3.46Å; C207-L211 PolarHBondContact O-N 3.33Å; C207-I212 PolarHBondContact N-O 3.33Å; C207-Y214 WeakPolarHBondContact CA-OH 3.46Å; C207-Y214 HydrophobicContact CB-CD1 4.48Å; C207-Y214 HydrophobicContact CB-CE1 3.61Å; C207-H230 WeakPolarHBondContact CB-ND1 3.33Å; C207-H230 PolarHBondContact SG-ND1 3.48Å; C207-H230 VanDerWaalsContact SG-ND1 3.38Å |
| 208 | E | 89.1 | Confident | 78.1 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 35% | 0.346 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -2.8 | -175.7 | -55.3 | 175.3 | 171.5 | 0 | 0 | 115.1 | F229 K246 | E208-F229 HydrophobicContact CB-CE1 4.21Å; E208-K246 WeakPolarHBondContact OE1-CD 3.22Å; E208-K246 WeakPolarHBondContact OE1-CE 3.47Å; E208-K246 IonicContact OE1-NZ 2.74Å; E208-K246 PolarHBondContact OE1-NZ 2.77Å; E208-K246 WeakPolarHBondContact OE2-CB 3.46Å; E208-K246 WeakPolarHBondContact OE2-CD 3.44Å; E208-K246 WeakPolarHBondContact OE2-CG 3.35Å |
| 209 | I | 90.6 | Very high | 79.4 | Confident | 56 Ų | 56 | 77 Ų | 77 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -38 | 177.4 | -57.4 | 172.3 | 0 | 0 | 0 | 111.7 | C207 F229 C233 I234 W237 P245 | C207-I209 PolarHBondContact O-N 2.96Å; I209-F229 HydrophobicContact CD1-CB 4.04Å; I209-F229 HydrophobicContact CD1-CD1 3.71Å; I209-F229 HydrophobicContact CD1-CE1 4.43Å; I209-F229 HydrophobicContact CD1-CG 3.93Å; I209-F229 HydrophobicContact CG1-CD1 3.8Å; I209-F229 HydrophobicContact CG1-CE1 4.29Å; I209-C233 HydrophobicContact CB-CB 3.91Å; I209-C233 HydrophobicContact CD1-CB 4Å; I209-C233 HydrophobicContact CG2-CB 3.82Å; I209-I234 HydrophobicContact CD1-CB 3.93Å; I209-I234 HydrophobicContact CD1-CD1 3.98Å; I209-W237 HydrophobicContact CD1-CB 4.49Å; I209-P245 HydrophobicContact CD1-CG 4.05Å; I209-P245 HydrophobicContact CG1-CG 4.02Å |
| 210 | C | 92.9 | Very high | 81.1 | Confident | 47 Ų | 47 | 75.2 Ų | 75.2 | 32% | 0.318 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -10.6 | 179.6 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | C207 I212 | C207-C210 VanDerWaalsContact CB-SG 3.59Å; C207-C210 PolarHBondContact O-N 3.5Å; C210-I212 HydrophobicContact CB-CD1 4.14Å; C210-I212 HydrophobicContact CB-CG1 4.13Å; C210-I212 PolarHBondContact O-N 3.37Å |
| 211 | L | 89.8 | Confident | 82.8 | Confident | 122 Ų | 122 | 69.3 Ų | 69.3 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 31.3 | -175.8 | -49.3 | -179.3 | 0 | 0 | 0 | 113.6 | C207 | C207-L211 WeakPolarHBondContact O-CA 3.46Å; C207-L211 PolarHBondContact O-N 3.33Å |
| 212 | I | 88.6 | Confident | 84.3 | Confident | 94 Ų | 94 | 65.3 Ų | 65.3 | 48% | 0.482 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.4 | 175.7 | -53.8 | 174.6 | 0 | 0 | 0 | 108.9 | E206 C207 C210 | E206-I212 WeakPolarHBondContact CA-O 3.39Å; C207-I212 PolarHBondContact N-O 3.33Å; C210-I212 HydrophobicContact CB-CD1 4.14Å; C210-I212 HydrophobicContact CB-CG1 4.13Å; C210-I212 PolarHBondContact O-N 3.37Å |
| 213 | E | 88.1 | Confident | 85.8 | Confident | 96 Ų | 96 | 58.8 Ų | 58.8 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 146.5 | 173.4 | -63.2 | -179.2 | 178.9 | 0 | 0 | 111.9 | H204 Q215 | H204-E213 HydrophobicContact CB-CG 4.03Å; H204-E213 IonicContact CD2-OE1 3.45Å; H204-E213 PolarHBondContact CD2-OE1 3.01Å; H204-E213 VanDerWaalsContact CD2-OE1 3.27Å; H204-E213 IonicContact CD2-OE2 3.57Å; H204-E213 IonicContact CG-OE1 2.68Å; H204-E213 IonicContact CG-OE2 3.58Å; E213-Q215 PolarHBondContact O-N 3.24Å |
| 214 | Y | 87.8 | Confident | 86.8 | Confident | 9 Ų | 9 | 58 Ų | 58 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -75 | 124 | 178 | -63.3 | -61.6 | 0 | 0 | 0 | 111.5 | Y133 I196 P205 E206 C207 L220 A228 F229 H230 | Y133-Y214 HydrophobicContact CD2-CD2 4.39Å; Y133-Y214 HydrophobicContact CD2-CG 4.2Å; Y133-Y214 WeakPolarHBondContact CE1-O 3.43Å; Y133-Y214 HydrophobicContact CE2-CD2 4.28Å; Y133-Y214 HydrophobicContact CE2-CG 4.36Å; Y133-Y214 HydrophobicContact CG-CG 4.47Å; I196-Y214 HydrophobicContact CD1-CD2 3.93Å; I196-Y214 HydrophobicContact CD1-CE2 3.58Å; I196-Y214 HydrophobicContact CG2-CE2 4.19Å; P205-Y214 HydrophobicContact CB-CD2 3.98Å; P205-Y214 HydrophobicContact CB-CE2 4.45Å; P205-Y214 HydrophobicContact CG-CD2 4.27Å; P205-Y214 VanDerWaalsContact O-CD2 3.23Å; P205-Y214 WeakPolarHBondContact O-CD2 3.5Å; P205-Y214 PolarHBondContact O-N 2.8Å; E206-Y214 WeakPolarHBondContact O-CE2 3.18Å; E206-Y214 PolarHBondContact O-OH 2.74Å; C207-Y214 WeakPolarHBondContact CA-OH 3.46Å; C207-Y214 HydrophobicContact CB-CD1 4.48Å; C207-Y214 HydrophobicContact CB-CE1 3.61Å; Y214-L220 HydrophobicContact CD1-CD1 4.08Å; Y214-L220 HydrophobicContact CD1-CD2 3.45Å; Y214-L220 VanDerWaalsContact CD1-CD2 3.45Å; Y214-L220 HydrophobicContact CD1-CG 4.42Å; Y214-L220 HydrophobicContact CE1-CD1 3.99Å; Y214-L220 HydrophobicContact CE1-CD2 3.37Å; Y214-L220 HydrophobicContact CE1-CG 4.35Å; Y214-L220 HydrophobicContact CG-CD1 4.38Å; Y214-L220 HydrophobicContact CG-CD2 4.43Å; Y214-A228 PolarHBondContact OH-O 3.19Å; Y214-A228 VanDerWaalsContact OH-O 3.1Å; Y214-F229 WeakPolarHBondContact OH-CA 3.19Å; Y214-H230 AromaticContact CD1-CE1 3.65Å; Y214-H230 AromaticContact CD1-NE2 3.58Å; Y214-H230 AromaticContact CE1-CE1 3.79Å; Y214-H230 AromaticContact CE1-ND1 3.87Å |
| 215 | Q | 84.1 | Confident | 87.9 | Confident | 133 Ų | 133 | 55.8 Ų | 55.8 | 62% | 0.621 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 155.2 | 178.4 | -61.5 | -171.5 | 0.3 | 0 | 0 | 111.3 | Y133 E213 K217 D218 | Y133-Q215 VanDerWaalsContact CD1-O 3.3Å; Y133-Q215 WeakPolarHBondContact CD1-O 3.31Å; E213-Q215 PolarHBondContact O-N 3.24Å; Q215-K217 PolarHBondContact O-N 2.92Å; Q215-D218 PolarHBondContact N-OD2 2.84Å; Q215-D218 VanDerWaalsContact O-CB 3.26Å; Q215-D218 WeakPolarHBondContact O-CB 3.22Å; Q215-D218 PolarHBondContact O-N 3.04Å |
| 216 | D | 82.8 | Confident | 88.1 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 135.2 | 175.1 | -167.9 | 66.9 | 0 | 0 | 0 | 110.8 | R134 I135 D218 | R134-D216 VanDerWaalsContact CA-OD1 3.28Å; R134-D216 WeakPolarHBondContact CA-OD1 3.46Å; I135-D216 HydrophobicContact CD1-CB 4.3Å; I135-D216 HydrophobicContact CG1-CB 4.25Å; I135-D216 PolarHBondContact N-OD1 3.36Å; D216-D218 VanDerWaalsContact C-N 3.32Å |
| 217 | K | 83.1 | Confident | 88.2 | Confident | 145 Ų | 145 | 56.7 Ų | 56.7 | 63% | 0.63 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 7.7 | -174 | -37 | -170.6 | -161.9 | -45.6 | 0 | 115.7 | I132 Y133 Q215 R219 | I132-K217 HydrophobicContact CG2-CB 4.49Å; Y133-K217 WeakPolarHBondContact O-CA 3.34Å; Y133-K217 PolarHBondContact O-N 2.95Å; Q215-K217 PolarHBondContact O-N 2.92Å; K217-R219 PolarHBondContact O-N 2.93Å |
| 218 | D | 87.6 | Confident | 88.1 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 21% | 0.214 | 29% | 0.285 | C | S | . | . | trans | -60.6 | 130.8 | 175.1 | -106.4 | -38.4 | 0 | 0 | 0 | 112.2 | I132 Y133 Q215 D216 L220 H230 | I132-D218 WeakPolarHBondContact CA-O 3.35Å; Y133-D218 PolarHBondContact N-O 2.93Å; Q215-D218 PolarHBondContact N-OD2 2.84Å; Q215-D218 VanDerWaalsContact O-CB 3.26Å; Q215-D218 WeakPolarHBondContact O-CB 3.22Å; Q215-D218 PolarHBondContact O-N 3.04Å; D216-D218 VanDerWaalsContact C-N 3.32Å; D218-L220 HydrophobicContact CB-CD2 4.12Å; D218-L220 PolarHBondContact O-N 2.93Å; D218-H230 IonicContact OD1-CD2 3.52Å; D218-H230 PolarHBondContact OD1-CD2 2.95Å; D218-H230 VanDerWaalsContact OD1-CD2 3.23Å; D218-H230 IonicContact OD1-NE2 3.31Å; D218-H230 PolarHBondContact OD1-NE2 3.24Å; D218-H230 IonicContact OD2-CD2 2.72Å; D218-H230 PolarHBondContact OD2-CD2 3.06Å; D218-H230 IonicContact OD2-CE1 3.69Å; D218-H230 IonicContact OD2-NE2 3.26Å; D218-H230 PolarHBondContact OD2-NE2 3.26Å | ||
| 219 | R | 89.4 | Confident | 88.2 | Confident | 168 Ų | 168 | 54 Ų | 54 | 63% | 0.634 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 111 | 177.4 | -79 | -175.5 | -72.9 | -96.6 | -0.6 | 110.4 | I132 K217 M231 | I132-R219 HydrophobicContact CD1-CG 4.24Å; I132-R219 HydrophobicContact CG1-CG 3.87Å; K217-R219 PolarHBondContact O-N 2.93Å; R219-M231 HydrophobicContact CB-CG 4.16Å; R219-M231 HydrophobicContact CB-SD 3.76Å; R219-M231 HydrophobicContact CG-SD 4.47Å; R219-M231 WeakPolarHBondContact O-CG 3.42Å; R219-M231 PolarHBondContact O-N 2.93Å |
| 220 | L | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 152.7 | -179.9 | -50.3 | -168.3 | 0 | 0 | 0 | 111.5 | T130 S131 Y133 L181 I196 Y214 D218 A228 F229 | T130-L220 CarbonylContact C-O 3.58Å; T130-L220 WeakPolarHBondContact CA-O 3.41Å; T130-L220 VanDerWaalsContact CB-O 3.27Å; T130-L220 WeakPolarHBondContact CB-O 3.38Å; S131-L220 PolarHBondContact N-O 3.2Å; S131-L220 PolarHBondContact O-N 2.87Å; Y133-L220 HydrophobicContact CD2-CD1 4.14Å; Y133-L220 HydrophobicContact CG-CD1 4.5Å; L181-L220 HydrophobicContact CD2-CD1 3.85Å; I196-L220 HydrophobicContact CD1-CD1 3.52Å; Y214-L220 HydrophobicContact CD1-CD1 4.08Å; Y214-L220 HydrophobicContact CD1-CD2 3.45Å; Y214-L220 VanDerWaalsContact CD1-CD2 3.45Å; Y214-L220 HydrophobicContact CD1-CG 4.42Å; Y214-L220 HydrophobicContact CE1-CD1 3.99Å; Y214-L220 HydrophobicContact CE1-CD2 3.37Å; Y214-L220 HydrophobicContact CE1-CG 4.35Å; Y214-L220 HydrophobicContact CG-CD1 4.38Å; Y214-L220 HydrophobicContact CG-CD2 4.43Å; D218-L220 HydrophobicContact CB-CD2 4.12Å; D218-L220 PolarHBondContact O-N 2.93Å; L220-A228 HydrophobicContact CD1-CB 4.3Å; L220-F229 CarbonylContact C-O 3.39Å; L220-F229 VanDerWaalsContact CA-O 3.23Å; L220-F229 WeakPolarHBondContact CA-O 3.05Å |
| 221 | R | 89.5 | Confident | 88.2 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 5% | 0.045 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.6 | 170 | -178.3 | -174.9 | -59.1 | -69.3 | 13.2 | 110.2 | L125 L128 P129 T130 A228 F229 M231 I234 D235 | L125-R221 PolarHBondContact O-NH1 3.43Å; L128-R221 HydrophobicContact CB-CG 3.85Å; L128-R221 PolarHBondContact O-NH1 3.45Å; P129-R221 WeakPolarHBondContact O-CG 3.38Å; T130-R221 HydrophobicContact CG2-CB 4.24Å; T130-R221 HydrophobicContact CG2-CG 4.36Å; R221-A228 WeakPolarHBondContact O-CA 3.36Å; R221-F229 PolarHBondContact N-O 3.12Å; R221-F229 PolarHBondContact O-N 3.38Å; R221-M231 HydrophobicContact CB-CG 4.06Å; R221-I234 HydrophobicContact CB-CG2 3.81Å; R221-I234 HydrophobicContact CG-CG2 4.34Å; R221-D235 IonicContact CZ-OD1 2.73Å; R221-D235 VanDerWaalsContact CZ-OD1 3.26Å; R221-D235 IonicContact CZ-OD2 3.75Å; R221-D235 IonicContact NE-OD1 3.78Å; R221-D235 PolarHBondContact NE-OD1 3.19Å; R221-D235 IonicContact NE-OD2 3.27Å; R221-D235 VanDerWaalsContact NH2-CG 3.31Å; R221-D235 IonicContact NH2-OD1 2.68Å; R221-D235 PolarHBondContact NH2-OD1 2.85Å; R221-D235 IonicContact NH2-OD2 3.03Å; R221-D235 PolarHBondContact NH2-OD2 2.68Å |
| 222 | H | 89 | Confident | 88.3 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.1 | 178.4 | -71 | -78.8 | 0 | 0 | 0 | 111 | P129 S131 L181 | P129-H222 HydrophobicContact CG-CB 4.07Å; P129-H222 PolarHBondContact O-N 2.96Å; S131-H222 PolarHBondContact OG-NE2 2.98Å; L181-H222 VanDerWaalsContact CD1-CE1 3.41Å; L181-H222 WeakPolarHBondContact CD1-CE1 3.2Å |
| 223 | L | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -83.1 | 156.4 | 170.9 | -65.6 | -172.6 | 0 | 0 | 0 | 110.9 | L128 C225 G226 H227 F229 I234 L238 C244 V251 | L128-L223 HydrophobicContact CD1-CD2 4.2Å; L128-L223 HydrophobicContact CD2-CD2 4.4Å; L223-C225 VanDerWaalsContact CB-SG 3.58Å; L223-C225 PolarHBondContact O-N 3.22Å; L223-G226 PolarHBondContact O-N 3.44Å; L223-H227 PolarHBondContact N-O 3.47Å; L223-F229 HydrophobicContact CD1-CD2 4.17Å; L223-F229 HydrophobicContact CD1-CE2 3.62Å; L223-F229 HydrophobicContact CG-CD2 4.3Å; L223-F229 HydrophobicContact CG-CE2 4.11Å; L223-I234 HydrophobicContact CD1-CD1 4Å; L223-I234 HydrophobicContact CD1-CG1 4.4Å; L223-I234 HydrophobicContact CD2-CD1 4.35Å; L223-I234 HydrophobicContact CD2-CG1 3.99Å; L223-I234 HydrophobicContact CG-CG1 4.41Å; L223-L238 HydrophobicContact CD2-CD1 4.06Å; L223-C244 HydrophobicContact CD1-CB 3.57Å; L223-V251 HydrophobicContact CD1-CG2 4.09Å; L223-V251 HydrophobicContact CD2-CG1 4.14Å; L223-V251 HydrophobicContact CD2-CG2 3.94Å; L223-V251 HydrophobicContact CG-CG2 4.49Å | ||
| 224 | P | 86.8 | Confident | 88.8 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 1.9 | 179.5 | 30.2 | -38.8 | 0 | 0 | 0 | 114.8 | V251 L255 L258 | P224-V251 HydrophobicContact CG-CB 4.5Å; P224-V251 HydrophobicContact CG-CG1 4.12Å; P224-V251 WeakPolarHBondContact CG-O 3.46Å; P224-L255 HydrophobicContact CG-CG 4.36Å; P224-L258 HydrophobicContact CB-CD1 3.38Å; P224-L258 HydrophobicContact CB-CG 4.38Å |
| 225 | C | 88.8 | Confident | 89 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 30% | 0.297 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 2.4 | 168.7 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | L223 C244 A249 | L223-C225 VanDerWaalsContact CB-SG 3.58Å; L223-C225 PolarHBondContact O-N 3.22Å; C225-C244 VanDerWaalsContact SG-SG 3.63Å; C225-A249 HydrophobicContact CB-CB 4.24Å |
| 226 | G | 85.4 | Confident | 89.4 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 88.3 | 1.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L223 | L223-G226 PolarHBondContact O-N 3.44Š|
| 227 | H | 88.2 | Confident | 89.8 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 22% | 0.222 | 23% | 0.228 | C | C | . | . | trans | -92.7 | 137.5 | -178.3 | -60.6 | 144.3 | 0 | 0 | 0 | 113 | L223 F229 C247 | L223-H227 PolarHBondContact N-O 3.47Å; H227-F229 HydrophobicContact CB-CE2 3.77Å; H227-F229 HydrophobicContact CB-CZ 4.05Å; H227-C247 VanDerWaalsContact CE1-SG 3.55Å; H227-C247 PolarHBondContact ND1-SG 2.88Å; H227-C247 VanDerWaalsContact ND1-SG 3.44Å | ||
| 228 | A | 89.3 | Confident | 90.2 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 145.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | I196 Y214 L220 R221 | I196-A228 HydrophobicContact CD1-CB 3.8Å; I196-A228 HydrophobicContact CG1-CB 4.32Å; Y214-A228 PolarHBondContact OH-O 3.19Å; Y214-A228 VanDerWaalsContact OH-O 3.1Å; L220-A228 HydrophobicContact CD1-CB 4.3Å; R221-A228 WeakPolarHBondContact O-CA 3.36Å |
| 229 | F | 91.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 158.7 | 176.3 | -53.6 | -88.7 | 0 | 0 | 0 | 109.1 | E208 I209 Y214 L220 R221 L223 H227 M231 I234 P245 K246 | E208-F229 HydrophobicContact CB-CE1 4.21Å; I209-F229 HydrophobicContact CD1-CB 4.04Å; I209-F229 HydrophobicContact CD1-CD1 3.71Å; I209-F229 HydrophobicContact CD1-CE1 4.43Å; I209-F229 HydrophobicContact CD1-CG 3.93Å; I209-F229 HydrophobicContact CG1-CD1 3.8Å; I209-F229 HydrophobicContact CG1-CE1 4.29Å; Y214-F229 WeakPolarHBondContact OH-CA 3.19Å; L220-F229 CarbonylContact C-O 3.39Å; L220-F229 VanDerWaalsContact CA-O 3.23Å; L220-F229 WeakPolarHBondContact CA-O 3.05Å; R221-F229 PolarHBondContact N-O 3.12Å; R221-F229 PolarHBondContact O-N 3.38Å; L223-F229 HydrophobicContact CD1-CD2 4.17Å; L223-F229 HydrophobicContact CD1-CE2 3.62Å; L223-F229 HydrophobicContact CG-CD2 4.3Å; L223-F229 HydrophobicContact CG-CE2 4.11Å; H227-F229 HydrophobicContact CB-CE2 3.77Å; H227-F229 HydrophobicContact CB-CZ 4.05Å; F229-M231 PolarHBondContact O-N 3Å; F229-I234 HydrophobicContact CB-CB 3.85Å; F229-I234 HydrophobicContact CB-CG2 4.09Å; F229-I234 HydrophobicContact CD2-CB 4.37Å; F229-I234 HydrophobicContact CD2-CD1 4.13Å; F229-I234 HydrophobicContact CD2-CG1 4.16Å; F229-I234 HydrophobicContact CE2-CD1 4.49Å; F229-I234 HydrophobicContact CG-CB 4.3Å; F229-I234 HydrophobicContact CG-CD1 4.5Å; F229-P245 HydrophobicContact CE1-CB 4.33Å; F229-P245 HydrophobicContact CE1-CG 4.25Å; F229-P245 HydrophobicContact CZ-CB 4.45Å; F229-P245 HydrophobicContact CZ-CG 4.27Å; F229-K246 HydrophobicContact CZ-CB 4.19Å |
| 230 | H | 92.3 | Very high | 90.1 | Very high | 21 Ų | 21 | 43 Ų | 43 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 133 | 168.7 | -68.1 | 109.1 | 0 | 0 | 0 | 110.8 | C207 Y214 D218 K232 C233 I234 | C207-H230 WeakPolarHBondContact CB-ND1 3.33Å; C207-H230 PolarHBondContact SG-ND1 3.48Å; C207-H230 VanDerWaalsContact SG-ND1 3.38Å; Y214-H230 AromaticContact CD1-CE1 3.65Å; Y214-H230 AromaticContact CD1-NE2 3.58Å; Y214-H230 AromaticContact CE1-CE1 3.79Å; Y214-H230 AromaticContact CE1-ND1 3.87Å; D218-H230 IonicContact OD1-CD2 3.52Å; D218-H230 PolarHBondContact OD1-CD2 2.95Å; D218-H230 VanDerWaalsContact OD1-CD2 3.23Å; D218-H230 IonicContact OD1-NE2 3.31Å; D218-H230 PolarHBondContact OD1-NE2 3.24Å; D218-H230 IonicContact OD2-CD2 2.72Å; D218-H230 PolarHBondContact OD2-CD2 3.06Å; D218-H230 IonicContact OD2-CE1 3.69Å; D218-H230 IonicContact OD2-NE2 3.26Å; D218-H230 PolarHBondContact OD2-NE2 3.26Å; H230-K232 VanDerWaalsContact C-N 3.3Å; H230-K232 PolarHBondContact O-N 3.29Å; H230-C233 HydrophobicContact CB-CB 4.16Å; H230-C233 PolarHBondContact O-N 3.28Å; H230-I234 PolarHBondContact O-N 3.5Å; H230-I234 VanDerWaalsContact O-N 3.15Å |
| 231 | M | 91.1 | Very high | 90 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -48.8 | -50.1 | -178.4 | -80 | -175.4 | 72.6 | 0 | 0 | 112.2 | T130 R219 R221 F229 C233 D235 | T130-M231 HydrophobicContact CG2-CE 3.92Å; T130-M231 HydrophobicContact CG2-CG 4.11Å; T130-M231 HydrophobicContact CG2-SD 3.8Å; R219-M231 HydrophobicContact CB-CG 4.16Å; R219-M231 HydrophobicContact CB-SD 3.76Å; R219-M231 HydrophobicContact CG-SD 4.47Å; R219-M231 WeakPolarHBondContact O-CG 3.42Å; R219-M231 PolarHBondContact O-N 2.93Å; R221-M231 HydrophobicContact CB-CG 4.06Å; F229-M231 PolarHBondContact O-N 3Å; M231-C233 VanDerWaalsContact C-N 3.33Å; M231-C233 PolarHBondContact O-N 3Å; M231-D235 WeakPolarHBondContact O-CB 3.33Å; M231-D235 PolarHBondContact O-N 3.07Å |
| 232 | K | 92.2 | Very high | 90 | Very high | 179 Ų | 179 | 45.5 Ų | 45.5 | 78% | 0.778 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -57.3 | -43.3 | -179.9 | -67.5 | -177 | 178.2 | 179.7 | 0 | 112.5 | H230 S236 | H230-K232 VanDerWaalsContact C-N 3.3Å; H230-K232 PolarHBondContact O-N 3.29Å; K232-S236 PolarHBondContact O-N 3.11Å; K232-S236 VanDerWaalsContact O-N 3.16Å; K232-S236 PolarHBondContact O-OG 3.25Å |
| 233 | C | 93.8 | Very high | 90.2 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.8 | -47.4 | -174 | -61.3 | 0 | 0 | 0 | 0 | 111.5 | I209 H230 M231 S236 W237 | I209-C233 HydrophobicContact CB-CB 3.91Å; I209-C233 HydrophobicContact CD1-CB 4Å; I209-C233 HydrophobicContact CG2-CB 3.82Å; H230-C233 HydrophobicContact CB-CB 4.16Å; H230-C233 PolarHBondContact O-N 3.28Å; M231-C233 VanDerWaalsContact C-N 3.33Å; M231-C233 PolarHBondContact O-N 3Å; C233-S236 PolarHBondContact O-N 2.94Å; C233-W237 PolarHBondContact O-N 3.29Å; C233-W237 VanDerWaalsContact O-N 3.1Å |
| 234 | I | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.4 | -30.2 | 179 | -169.5 | 63.8 | 0 | 0 | 0 | 112.6 | I209 R221 L223 F229 H230 S236 W237 L238 P245 | I209-I234 HydrophobicContact CD1-CB 3.93Å; I209-I234 HydrophobicContact CD1-CD1 3.98Å; R221-I234 HydrophobicContact CB-CG2 3.81Å; R221-I234 HydrophobicContact CG-CG2 4.34Å; L223-I234 HydrophobicContact CD1-CD1 4Å; L223-I234 HydrophobicContact CD1-CG1 4.4Å; L223-I234 HydrophobicContact CD2-CD1 4.35Å; L223-I234 HydrophobicContact CD2-CG1 3.99Å; L223-I234 HydrophobicContact CG-CG1 4.41Å; F229-I234 HydrophobicContact CB-CB 3.85Å; F229-I234 HydrophobicContact CB-CG2 4.09Å; F229-I234 HydrophobicContact CD2-CB 4.37Å; F229-I234 HydrophobicContact CD2-CD1 4.13Å; F229-I234 HydrophobicContact CD2-CG1 4.16Å; F229-I234 HydrophobicContact CE2-CD1 4.49Å; F229-I234 HydrophobicContact CG-CB 4.3Å; F229-I234 HydrophobicContact CG-CD1 4.5Å; H230-I234 PolarHBondContact O-N 3.5Å; H230-I234 VanDerWaalsContact O-N 3.15Å; I234-S236 VanDerWaalsContact C-N 3.31Å; I234-S236 PolarHBondContact O-N 3.22Å; I234-W237 HydrophobicContact CD1-CB 4.24Å; I234-W237 HydrophobicContact CD1-CG 4.27Å; I234-W237 PolarHBondContact O-N 2.95Å; I234-L238 HydrophobicContact CD1-CD1 4.39Å; I234-L238 HydrophobicContact CD1-CD2 4.33Å; I234-L238 HydrophobicContact CD1-CG 4.02Å; I234-L238 HydrophobicContact CG1-CD1 3.84Å; I234-L238 HydrophobicContact CG1-CG 3.96Å; I234-L238 WeakPolarHBondContact O-CB 3.44Å; I234-L238 VanDerWaalsContact O-CG 3.24Å; I234-L238 WeakPolarHBondContact O-CG 3.48Å; I234-L238 PolarHBondContact O-N 3.33Å; I234-P245 HydrophobicContact CD1-CG 4.13Å |
| 235 | D | 91.5 | Very high | 90.6 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.16 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.3 | -31.5 | 173.3 | -73.3 | -11.1 | 0 | 0 | 0 | 112.3 | L125 R221 M231 K239 | L125-D235 HydrophobicContact CD1-CB 4.29Å; R221-D235 IonicContact CZ-OD1 2.73Å; R221-D235 VanDerWaalsContact CZ-OD1 3.26Å; R221-D235 IonicContact CZ-OD2 3.75Å; R221-D235 IonicContact NE-OD1 3.78Å; R221-D235 PolarHBondContact NE-OD1 3.19Å; R221-D235 IonicContact NE-OD2 3.27Å; R221-D235 VanDerWaalsContact NH2-CG 3.31Å; R221-D235 IonicContact NH2-OD1 2.68Å; R221-D235 PolarHBondContact NH2-OD1 2.85Å; R221-D235 IonicContact NH2-OD2 3.03Å; R221-D235 PolarHBondContact NH2-OD2 2.68Å; M231-D235 WeakPolarHBondContact O-CB 3.33Å; M231-D235 PolarHBondContact O-N 3.07Å; D235-K239 WeakPolarHBondContact O-CD 3.34Å; D235-K239 WeakPolarHBondContact O-CE 3.48Å; D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.38Å |
| 236 | S | 91.8 | Very high | 90.6 | Very high | 70 Ų | 70 | 51.6 Ų | 51.6 | 49% | 0.49 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.6 | -41.4 | 170.1 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | K232 C233 I234 | K232-S236 PolarHBondContact O-N 3.11Å; K232-S236 VanDerWaalsContact O-N 3.16Å; K232-S236 PolarHBondContact O-OG 3.25Å; C233-S236 PolarHBondContact O-N 2.94Å; I234-S236 VanDerWaalsContact C-N 3.31Å; I234-S236 PolarHBondContact O-N 3.22Å |
| 237 | W | 93 | Very high | 90.9 | Very high | 91 Ų | 91 | 53.8 Ų | 53.8 | 35% | 0.345 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 176.8 | 176.3 | -89.9 | 0 | 0 | 0 | 113 | I209 C233 I234 K239 Q240 S241 T243 P245 | I209-W237 HydrophobicContact CD1-CB 4.49Å; C233-W237 PolarHBondContact O-N 3.29Å; C233-W237 VanDerWaalsContact O-N 3.1Å; I234-W237 HydrophobicContact CD1-CB 4.24Å; I234-W237 HydrophobicContact CD1-CG 4.27Å; I234-W237 PolarHBondContact O-N 2.95Å; W237-K239 PolarHBondContact O-N 3.29Å; W237-Q240 CarbonylContact O-C 3.5Å; W237-Q240 WeakPolarHBondContact O-CA 3.43Å; W237-Q240 PolarHBondContact O-N 2.89Å; W237-S241 PolarHBondContact O-N 3.37Å; W237-T243 PolarHBondContact NE1-O 2.96Å; W237-P245 HydrophobicContact CD2-CG 4.04Å; W237-P245 HydrophobicContact CG-CG 4.14Å; W237-P245 HydrophobicContact CZ2-CG 4.32Å |
| 238 | L | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.6 | -14.6 | -176.7 | -68.1 | 175 | 0 | 0 | 0 | 114.1 | M120 L125 L128 L223 I234 Q240 S241 V251 | M120-L238 HydrophobicContact CB-CB 4.26Å; M120-L238 PolarHBondContact N-O 3.38Å; M120-L238 VanDerWaalsContact N-O 3.13Å; M120-L238 HydrophobicContact SD-CB 4.29Å; M120-L238 HydrophobicContact SD-CD1 4.06Å; M120-L238 HydrophobicContact SD-CD2 4Å; M120-L238 HydrophobicContact SD-CG 4.35Å; L125-L238 HydrophobicContact CD2-CB 3.63Å; L125-L238 HydrophobicContact CD2-CD1 3.5Å; L125-L238 VanDerWaalsContact CD2-CD1 3.5Å; L125-L238 HydrophobicContact CD2-CG 4.23Å; L128-L238 HydrophobicContact CD1-CD1 3.6Å; L223-L238 HydrophobicContact CD2-CD1 4.06Å; I234-L238 HydrophobicContact CD1-CD1 4.39Å; I234-L238 HydrophobicContact CD1-CD2 4.33Å; I234-L238 HydrophobicContact CD1-CG 4.02Å; I234-L238 HydrophobicContact CG1-CD1 3.84Å; I234-L238 HydrophobicContact CG1-CG 3.96Å; I234-L238 WeakPolarHBondContact O-CB 3.44Å; I234-L238 VanDerWaalsContact O-CG 3.24Å; I234-L238 WeakPolarHBondContact O-CG 3.48Å; I234-L238 PolarHBondContact O-N 3.33Å; L238-Q240 VanDerWaalsContact C-N 3.26Å; L238-S241 WeakPolarHBondContact CA-O 3.36Å; L238-V251 HydrophobicContact CD2-CB 4.28Å; L238-V251 HydrophobicContact CD2-CG1 4.42Å; L238-V251 HydrophobicContact CD2-CG2 3.89Å |
| 239 | K | 87.9 | Confident | 90.9 | Very high | 124 Ų | 124 | 62.7 Ų | 62.7 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -14.7 | 165.9 | -69.6 | 167.1 | -172.1 | 176.2 | 0 | 113.4 | F119 D235 W237 | F119-K239 WeakPolarHBondContact CB-O 3.48Å; F119-K239 WeakPolarHBondContact CD1-O 3.5Å; F119-K239 WeakPolarHBondContact CG-O 3.41Å; D235-K239 WeakPolarHBondContact O-CD 3.34Å; D235-K239 WeakPolarHBondContact O-CE 3.48Å; D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.38Å; W237-K239 PolarHBondContact O-N 3.29Å |
| 240 | Q | 87.5 | Confident | 90.8 | Very high | 150 Ų | 150 | 64.1 Ų | 64.1 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -32.1 | -178.7 | -60 | -177.7 | 3.2 | 0 | 0 | 112.8 | F119 W237 L238 | F119-Q240 VanDerWaalsContact CE1-O 3.3Å; F119-Q240 WeakPolarHBondContact CE1-O 3.46Å; W237-Q240 CarbonylContact O-C 3.5Å; W237-Q240 WeakPolarHBondContact O-CA 3.43Å; W237-Q240 PolarHBondContact O-N 2.89Å; L238-Q240 VanDerWaalsContact C-N 3.26Å |
| 241 | S | 88.1 | Confident | 90.6 | Very high | 33 Ų | 33 | 63.2 Ų | 63.2 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | trans | -143.7 | 121.5 | -176.1 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | W237 L238 T243 | W237-S241 PolarHBondContact O-N 3.37Å; L238-S241 WeakPolarHBondContact CA-O 3.36Å; S241-T243 PolarHBondContact O-N 3.47Å; S241-T243 VanDerWaalsContact O-N 3.08Å; S241-T243 PolarHBondContact OG-OG1 2.95Å | ||
| 242 | T | 89.4 | Confident | 90.4 | Very high | 31 Ų | 31 | 64 Ų | 64 | 19% | 0.19 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -82.4 | 26.2 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | G118 M120 V251 | G118-T242 WeakPolarHBondContact O-CG2 3.06Å; M120-T242 HydrophobicContact CG-CG2 4.09Å; T242-V251 PolarHBondContact O-N 2.91Å |
| 243 | T | 92.3 | Very high | 90.1 | Very high | 45 Ų | 45 | 58.8 Ų | 58.8 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -119.9 | 150.9 | -179.8 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | W237 S241 R248 A249 | W237-T243 PolarHBondContact NE1-O 2.96Å; S241-T243 PolarHBondContact O-N 3.47Å; S241-T243 VanDerWaalsContact O-N 3.08Å; S241-T243 PolarHBondContact OG-OG1 2.95Å; T243-R248 WeakPolarHBondContact CB-O 3.23Å; T243-A249 WeakPolarHBondContact CA-O 3.16Å |
| 244 | C | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -68 | 130.8 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L223 C225 K246 R248 A249 | L223-C244 HydrophobicContact CD1-CB 3.57Å; C225-C244 VanDerWaalsContact SG-SG 3.63Å; C244-K246 PolarHBondContact O-N 2.98Å; C244-K246 PolarHBondContact SG-N 2.9Å; C244-R248 WeakPolarHBondContact O-CA 3.23Å; C244-R248 PolarHBondContact O-N 2.8Å; C244-A249 PolarHBondContact N-O 3.18Å | ||
| 245 | P | 92.1 | Very high | 89.4 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 23% | 0.234 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -49.4 | 175.2 | -25.8 | 32.7 | 0 | 0 | 0 | 113 | I209 F229 I234 W237 | I209-P245 HydrophobicContact CD1-CG 4.05Å; I209-P245 HydrophobicContact CG1-CG 4.02Å; F229-P245 HydrophobicContact CE1-CB 4.33Å; F229-P245 HydrophobicContact CE1-CG 4.25Å; F229-P245 HydrophobicContact CZ-CB 4.45Å; F229-P245 HydrophobicContact CZ-CG 4.27Å; I234-P245 HydrophobicContact CD1-CG 4.13Å; W237-P245 HydrophobicContact CD2-CG 4.04Å; W237-P245 HydrophobicContact CG-CG 4.14Å; W237-P245 HydrophobicContact CZ2-CG 4.32Å |
| 246 | K | 89.1 | Confident | 89.1 | Confident | 116 Ų | 116 | 60.6 Ų | 60.6 | 50% | 0.504 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -47 | -174.6 | -166.6 | 165.2 | -174 | 139.9 | 0 | 114.8 | E208 F229 C244 | E208-K246 WeakPolarHBondContact OE1-CD 3.22Å; E208-K246 WeakPolarHBondContact OE1-CE 3.47Å; E208-K246 IonicContact OE1-NZ 2.74Å; E208-K246 PolarHBondContact OE1-NZ 2.77Å; E208-K246 WeakPolarHBondContact OE2-CB 3.46Å; E208-K246 WeakPolarHBondContact OE2-CD 3.44Å; E208-K246 WeakPolarHBondContact OE2-CG 3.35Å; F229-K246 HydrophobicContact CZ-CB 4.19Å; C244-K246 PolarHBondContact O-N 2.98Å; C244-K246 PolarHBondContact SG-N 2.9Å |
| 247 | C | 91.4 | Very high | 88.9 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 5.2 | -169.6 | 66.2 | 0 | 0 | 0 | 0 | 114.9 | H227 A249 | H227-C247 VanDerWaalsContact CE1-SG 3.55Å; H227-C247 PolarHBondContact ND1-SG 2.88Å; H227-C247 VanDerWaalsContact ND1-SG 3.44Å; C247-A249 PolarHBondContact O-N 3.35Å |
| 248 | R | 89.7 | Confident | 88.5 | Confident | 208 Ų | 208 | 62.4 Ų | 62.4 | 79% | 0.785 | 33% | 0.33 | S | S | * | . | trans | 57.7 | 5.9 | 178.9 | -55.1 | -179.4 | -178.3 | -177.2 | -0.7 | 115.6 | T243 C244 G250 | T243-R248 WeakPolarHBondContact CB-O 3.23Å; C244-R248 WeakPolarHBondContact O-CA 3.23Å; C244-R248 PolarHBondContact O-N 2.8Å; R248-G250 PolarHBondContact O-N 2.74Å | ||
| 249 | A | 88.6 | Confident | 88.2 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 35% | 0.347 | 34% | 0.343 | S | S | . | . | trans | -62.4 | 134 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | C225 T243 C244 C247 V251 | C225-A249 HydrophobicContact CB-CB 4.24Å; T243-A249 WeakPolarHBondContact CA-O 3.16Å; C244-A249 PolarHBondContact N-O 3.18Å; C247-A249 PolarHBondContact O-N 3.35Å; A249-V251 PolarHBondContact O-N 3.08Å | ||
| 250 | G | 89.8 | Confident | 88.1 | Confident | 33 Ų | 33 | 66.4 Ų | 66.4 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 116.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R248 A253 G254 | R248-G250 PolarHBondContact O-N 2.74Å; G250-A253 PolarHBondContact O-N 2.92Å; G250-G254 PolarHBondContact O-N 2.83Å |
| 251 | V | 88.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | -172.4 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | M120 L128 L223 P224 L238 T242 A249 A253 G254 L255 | M120-V251 HydrophobicContact CE-CG1 4.02Å; M120-V251 HydrophobicContact SD-CB 4.09Å; M120-V251 HydrophobicContact SD-CG1 3.6Å; M120-V251 VanDerWaalsContact SD-CG1 3.6Å; L128-V251 HydrophobicContact CD1-CG1 4.14Å; L128-V251 HydrophobicContact CD2-CG1 3.93Å; L223-V251 HydrophobicContact CD1-CG2 4.09Å; L223-V251 HydrophobicContact CD2-CG1 4.14Å; L223-V251 HydrophobicContact CD2-CG2 3.94Å; L223-V251 HydrophobicContact CG-CG2 4.49Å; P224-V251 HydrophobicContact CG-CB 4.5Å; P224-V251 HydrophobicContact CG-CG1 4.12Å; P224-V251 WeakPolarHBondContact CG-O 3.46Å; L238-V251 HydrophobicContact CD2-CB 4.28Å; L238-V251 HydrophobicContact CD2-CG1 4.42Å; L238-V251 HydrophobicContact CD2-CG2 3.89Å; T242-V251 PolarHBondContact O-N 2.91Å; A249-V251 PolarHBondContact O-N 3.08Å; V251-A253 VanDerWaalsContact C-N 3.3Å; V251-A253 PolarHBondContact O-N 3.44Å; V251-G254 PolarHBondContact O-N 3.05Å; V251-L255 HydrophobicContact CG1-CD1 4.36Å; V251-L255 PolarHBondContact O-N 3.1Å |
| 252 | R | 85.7 | Confident | 88 | Confident | 67 Ų | 67 | 64 Ų | 64 | 25% | 0.253 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -33.9 | 175.8 | -176.5 | 157.6 | 52.7 | -124.8 | -4.3 | 112.9 | G118 E124 A256 | G118-R252 VanDerWaalsContact O-CZ 3.24Å; G118-R252 PolarHBondContact O-NH1 2.79Å; G118-R252 PolarHBondContact O-NH2 3.29Å; E124-R252 IonicContact OE2-NH1 3.67Å; E124-R252 PolarHBondContact OE2-NH1 2.9Å; R252-A256 WeakPolarHBondContact O-CB 3.44Å; R252-A256 PolarHBondContact O-N 3.46Å |
| 253 | A | 86.8 | Confident | 87.9 | Confident | 71 Ų | 71 | 67.5 Ų | 67.5 | 59% | 0.587 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.1 | -37.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G250 V251 R257 | G250-A253 PolarHBondContact O-N 2.92Å; V251-A253 VanDerWaalsContact C-N 3.3Å; V251-A253 PolarHBondContact O-N 3.44Å; A253-R257 PolarHBondContact O-N 3.32Å; A253-R257 VanDerWaalsContact O-N 3.07Å |
| 254 | G | 86.3 | Confident | 87.7 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 19% | 0.186 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -51.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G250 V251 A256 R257 L258 | G250-G254 PolarHBondContact O-N 2.83Å; V251-G254 PolarHBondContact O-N 3.05Å; G254-A256 VanDerWaalsContact C-N 3.33Å; G254-A256 PolarHBondContact O-N 3.25Å; G254-R257 WeakPolarHBondContact O-CA 3.36Å; G254-R257 WeakPolarHBondContact O-CB 3.47Å; G254-R257 PolarHBondContact O-N 2.88Å; G254-L258 WeakPolarHBondContact O-CG 3.27Å; G254-L258 PolarHBondContact O-N 3.34Å |
| 255 | L | 84.8 | Confident | 87.3 | Confident | 27 Ų | 27 | 79.8 Ų | 79.8 | 14% | 0.141 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54.1 | -47 | 175 | -78.7 | 169.2 | 0 | 0 | 0 | 112 | M120 L128 P224 V251 R257 L258 E259 | M120-L255 HydrophobicContact CE-CD1 3.88Å; L128-L255 HydrophobicContact CD2-CD1 3.93Å; L128-L255 HydrophobicContact CD2-CD2 3.96Å; L128-L255 HydrophobicContact CD2-CG 4.07Å; L128-L255 HydrophobicContact CG-CD1 4.29Å; P224-L255 HydrophobicContact CG-CG 4.36Å; V251-L255 HydrophobicContact CG1-CD1 4.36Å; V251-L255 PolarHBondContact O-N 3.1Å; L255-R257 PolarHBondContact O-N 3.01Å; L255-L258 PolarHBondContact O-N 3.4Å; L255-E259 PolarHBondContact O-N 3.38Å |
| 256 | A | 85.8 | Confident | 87.1 | Confident | 51 Ų | 51 | 85.3 Ų | 85.3 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.5 | -15.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R252 G254 R260 | R252-A256 WeakPolarHBondContact O-CB 3.44Å; R252-A256 PolarHBondContact O-N 3.46Å; G254-A256 VanDerWaalsContact C-N 3.33Å; G254-A256 PolarHBondContact O-N 3.25Å; A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-NE 3.16Å |
| 257 | R | 87.3 | Confident | 86.8 | Confident | 167 Ų | 167 | 83 Ų | 83 | 63% | 0.63 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -82.6 | -44.5 | 168.5 | -176.4 | -178.8 | 178.2 | -168.2 | -2.2 | 110.8 | A253 G254 L255 R260 N261 | A253-R257 PolarHBondContact O-N 3.32Å; A253-R257 VanDerWaalsContact O-N 3.07Å; G254-R257 WeakPolarHBondContact O-CA 3.36Å; G254-R257 WeakPolarHBondContact O-CB 3.47Å; G254-R257 PolarHBondContact O-N 2.88Å; L255-R257 PolarHBondContact O-N 3.01Å; R257-R260 PolarHBondContact O-N 3.22Å; R257-N261 VanDerWaalsContact O-CG 3.29Å; R257-N261 PolarHBondContact O-N 3.27Å; R257-N261 PolarHBondContact O-OD1 3.07Å |
| 258 | L | 84.5 | Confident | 86.3 | Confident | 33 Ų | 33 | 87 Ų | 87 | 17% | 0.173 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | -178.2 | -63.7 | 171.2 | 0 | 0 | 0 | 112.2 | L190 V191 P224 G254 L255 R260 N261 R262 | L190-L258 HydrophobicContact CB-CD1 4.43Å; L190-L258 HydrophobicContact CD2-CB 4.35Å; L190-L258 WeakPolarHBondContact O-CD1 3.35Å; L190-L258 WeakPolarHBondContact O-CD2 3.17Å; V191-L258 HydrophobicContact CG2-CD1 3.71Å; P224-L258 HydrophobicContact CB-CD1 3.38Å; P224-L258 HydrophobicContact CB-CG 4.38Å; G254-L258 WeakPolarHBondContact O-CG 3.27Å; G254-L258 PolarHBondContact O-N 3.34Å; L255-L258 PolarHBondContact O-N 3.4Å; L258-R260 PolarHBondContact O-N 3.19Å; L258-N261 WeakPolarHBondContact O-CB 3.24Å; L258-N261 PolarHBondContact O-N 2.85Å; L258-N261 VanDerWaalsContact O-N 3.15Å; L258-R262 PolarHBondContact O-N 2.9Å |
| 259 | E | 84.7 | Confident | 85.6 | Confident | 57 Ų | 57 | 81 Ų | 81 | 27% | 0.266 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 177.7 | -179.1 | 55.3 | -161 | 0 | 0 | 112.1 | L255 N261 R262 Q263 | L255-E259 PolarHBondContact O-N 3.38Å; E259-N261 VanDerWaalsContact C-N 3.33Å; E259-N261 PolarHBondContact O-N 3Å; E259-R262 VanDerWaalsContact CD-NH2 3.3Å; E259-R262 PolarHBondContact O-N 2.92Å; E259-R262 IonicContact OE1-CZ 2.65Å; E259-R262 IonicContact OE1-NE 3.26Å; E259-R262 IonicContact OE1-NH2 2.87Å; E259-R262 PolarHBondContact OE1-NH2 2.99Å; E259-R262 IonicContact OE2-CZ 3.15Å; E259-R262 VanDerWaalsContact OE2-CZ 3.26Å; E259-R262 IonicContact OE2-NE 2.65Å; E259-R262 PolarHBondContact OE2-NE 2.97Å; E259-R262 IonicContact OE2-NH2 3.75Å; E259-R262 PolarHBondContact OE2-NH2 2.73Å; E259-Q263 WeakPolarHBondContact O-CB 3.38Å; E259-Q263 VanDerWaalsContact O-CG 3.27Å; E259-Q263 WeakPolarHBondContact O-CG 3.27Å; E259-Q263 PolarHBondContact O-N 3.41Å; E259-Q263 PolarHBondContact OE1-NE2 3.35Å |
| 260 | R | 86.7 | Confident | 84.6 | Confident | 150 Ų | 150 | 85.6 Ų | 85.6 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -64.6 | -35.1 | 172.3 | -76.2 | -174 | -65 | 155.7 | 0.6 | 112.8 | A256 R257 L258 R264 | A256-R260 WeakPolarHBondContact O-CG 3.46Å; A256-R260 PolarHBondContact O-NE 3.16Å; R257-R260 PolarHBondContact O-N 3.22Å; L258-R260 PolarHBondContact O-N 3.19Å; R260-R264 WeakPolarHBondContact O-CG 3.49Å; R260-R264 PolarHBondContact O-N 3.37Å; R260-R264 VanDerWaalsContact O-N 3.11Å |
| 261 | N | 87.4 | Confident | 83.3 | Confident | 69 Ų | 69 | 88.4 Ų | 88.4 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 172.7 | -70.1 | -5.7 | 0 | 0 | 0 | 110.9 | R257 L258 E259 Q263 R264 Q265 | R257-N261 VanDerWaalsContact O-CG 3.29Å; R257-N261 PolarHBondContact O-N 3.27Å; R257-N261 PolarHBondContact O-OD1 3.07Å; L258-N261 WeakPolarHBondContact O-CB 3.24Å; L258-N261 PolarHBondContact O-N 2.85Å; L258-N261 VanDerWaalsContact O-N 3.15Å; E259-N261 VanDerWaalsContact C-N 3.33Å; E259-N261 PolarHBondContact O-N 3Å; N261-Q263 PolarHBondContact O-N 2.91Å; N261-R264 WeakPolarHBondContact O-CB 3.48Å; N261-R264 PolarHBondContact O-N 3.1Å; N261-Q265 WeakPolarHBondContact O-CG 3.5Å; N261-Q265 PolarHBondContact O-N 3.17Å |
| 262 | R | 84.3 | Confident | 81.9 | Confident | 64 Ų | 64 | 91.5 Ų | 91.5 | 24% | 0.242 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 178 | -163.6 | -179.9 | 69.7 | 113.7 | 8.8 | 112.4 | L258 E259 Q265 R266 | L258-R262 PolarHBondContact O-N 2.9Å; E259-R262 VanDerWaalsContact CD-NH2 3.3Å; E259-R262 PolarHBondContact O-N 2.92Å; E259-R262 IonicContact OE1-CZ 2.65Å; E259-R262 IonicContact OE1-NE 3.26Å; E259-R262 IonicContact OE1-NH2 2.87Å; E259-R262 PolarHBondContact OE1-NH2 2.99Å; E259-R262 IonicContact OE2-CZ 3.15Å; E259-R262 VanDerWaalsContact OE2-CZ 3.26Å; E259-R262 IonicContact OE2-NE 2.65Å; E259-R262 PolarHBondContact OE2-NE 2.97Å; E259-R262 IonicContact OE2-NH2 3.75Å; E259-R262 PolarHBondContact OE2-NH2 2.73Å; R262-Q265 PolarHBondContact O-N 3.44Å; R262-R266 WeakPolarHBondContact O-CG 3.42Å; R262-R266 PolarHBondContact O-N 3.14Å |
| 263 | Q | 87.7 | Confident | 80.6 | Confident | 105 Ų | 105 | 93.7 Ų | 93.7 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 172.7 | -72.6 | 168.8 | 2.5 | 0 | 0 | 112 | E259 N261 R266 A267 | E259-Q263 WeakPolarHBondContact O-CB 3.38Å; E259-Q263 VanDerWaalsContact O-CG 3.27Å; E259-Q263 WeakPolarHBondContact O-CG 3.27Å; E259-Q263 PolarHBondContact O-N 3.41Å; E259-Q263 PolarHBondContact OE1-NE2 3.35Å; N261-Q263 PolarHBondContact O-N 2.91Å; Q263-R266 PolarHBondContact O-N 3.33Å; Q263-A267 PolarHBondContact O-N 3.13Å |
| 264 | R | 88.2 | Confident | 79.2 | Confident | 178 Ų | 178 | 97.3 Ų | 97.3 | 67% | 0.672 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 174.6 | -74.6 | 173.5 | 170.8 | -153.9 | -5.9 | 112.5 | R260 N261 A267 Q268 | R260-R264 WeakPolarHBondContact O-CG 3.49Å; R260-R264 PolarHBondContact O-N 3.37Å; R260-R264 VanDerWaalsContact O-N 3.11Å; N261-R264 WeakPolarHBondContact O-CB 3.48Å; N261-R264 PolarHBondContact O-N 3.1Å; R264-A267 PolarHBondContact O-N 2.91Å; R264-Q268 WeakPolarHBondContact O-CG 3.1Å; R264-Q268 PolarHBondContact O-N 3.44Å |
| 265 | Q | 84.7 | Confident | 77.8 | Confident | 124 Ų | 124 | 101.2 Ų | 101.2 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 175.5 | -72.9 | 170.5 | -31.4 | 0 | 0 | 111.6 | N261 R262 A267 Q268 S269 | N261-Q265 WeakPolarHBondContact O-CG 3.5Å; N261-Q265 PolarHBondContact O-N 3.17Å; R262-Q265 PolarHBondContact O-N 3.44Å; Q265-A267 PolarHBondContact O-N 2.99Å; Q265-Q268 PolarHBondContact O-N 2.88Å; Q265-S269 PolarHBondContact O-N 3.17Å; Q265-S269 PolarHBondContact O-OG 2.96Å |
| 266 | R | 86.2 | Confident | 76.7 | Confident | 152 Ų | 152 | 109.2 Ų | 109.2 | 57% | 0.574 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.5 | -37.4 | 174.8 | -76.5 | 179.4 | 163.2 | -149.3 | -9.2 | 113.4 | R262 Q263 Q268 S269 N270 | R262-R266 WeakPolarHBondContact O-CG 3.42Å; R262-R266 PolarHBondContact O-N 3.14Å; Q263-R266 PolarHBondContact O-N 3.33Å; R266-Q268 VanDerWaalsContact C-N 3.34Å; R266-S269 WeakPolarHBondContact CA-OG 3.45Å; R266-S269 PolarHBondContact O-OG 2.77Å; R266-N270 PolarHBondContact O-N 3.36Å; R266-N270 PolarHBondContact O-OD1 3.21Å |
| 267 | A | 84.6 | Confident | 75.3 | Confident | 68 Ų | 68 | 112.7 Ų | 112.7 | 56% | 0.562 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.6 | -35.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q263 R264 Q265 | Q263-A267 PolarHBondContact O-N 3.13Å; R264-A267 PolarHBondContact O-N 2.91Å; Q265-A267 PolarHBondContact O-N 2.99Å |
| 268 | Q | 79.4 | Confident | 74 | Confident | 141 Ų | 141 | 110.6 Ų | 110.6 | 66% | 0.659 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.2 | -42.7 | 176.4 | -73.1 | 171.1 | -28.3 | 0 | 0 | 112.3 | R264 Q265 R266 N270 S271 | R264-Q268 WeakPolarHBondContact O-CG 3.1Å; R264-Q268 PolarHBondContact O-N 3.44Å; Q265-Q268 PolarHBondContact O-N 2.88Å; R266-Q268 VanDerWaalsContact C-N 3.34Å; Q268-N270 VanDerWaalsContact C-N 3.28Å; Q268-N270 PolarHBondContact O-N 2.84Å; Q268-S271 WeakPolarHBondContact O-CB 3.35Å; Q268-S271 PolarHBondContact O-N 2.84Å; Q268-S271 VanDerWaalsContact O-N 3.1Å |
| 269 | S | 74.5 | Confident | 72.7 | Confident | 82 Ų | 82 | 114.7 Ų | 114.7 | 57% | 0.573 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.5 | -33.5 | 178.5 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | Q265 R266 S271 | Q265-S269 PolarHBondContact O-N 3.17Å; Q265-S269 PolarHBondContact O-OG 2.96Å; R266-S269 WeakPolarHBondContact CA-OG 3.45Å; R266-S269 PolarHBondContact O-OG 2.77Å; S269-S271 PolarHBondContact O-N 3.05Å |
| 270 | N | 67.9 | Low | 71.4 | Confident | 139 Ų | 139 | 119.9 Ų | 119.9 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -3.3 | 177.8 | -75.9 | 37.4 | 0 | 0 | 0 | 113.8 | R266 Q268 G272 | R266-N270 PolarHBondContact O-N 3.36Å; R266-N270 PolarHBondContact O-OD1 3.21Å; Q268-N270 VanDerWaalsContact C-N 3.28Å; Q268-N270 PolarHBondContact O-N 2.84Å; N270-G272 VanDerWaalsContact C-N 3.28Å; N270-G272 PolarHBondContact O-N 3.13Å |
| 271 | S | 63.4 | Low | 69.9 | Low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 8.7 | 176.5 | -169.3 | 0 | 0 | 0 | 0 | 113.5 | Q268 S269 T273 | Q268-S271 WeakPolarHBondContact O-CB 3.35Å; Q268-S271 PolarHBondContact O-N 2.84Å; Q268-S271 VanDerWaalsContact O-N 3.1Å; S269-S271 PolarHBondContact O-N 3.05Å; S271-T273 VanDerWaalsContact C-N 3.26Å; S271-T273 PolarHBondContact O-N 2.98Å; S271-T273 VanDerWaalsContact O-N 3.15Å |
| 272 | G | 58.3 | Low | 68.2 | Low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 68% | 0.684 | S | S | * | * | trans | -72.3 | 1.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | N270 T274 | N270-G272 VanDerWaalsContact C-N 3.28Å; N270-G272 PolarHBondContact O-N 3.13Å; G272-T274 PolarHBondContact O-N 3.46Å | ||
| 273 | T | 59.7 | Low | 67 | Low | 113 Ų | 113 | 128.5 Ų | 128.5 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -76.3 | 83.4 | -179.3 | 49.6 | 0 | 0 | 0 | 0 | 112.4 | S271 S275 | S271-T273 VanDerWaalsContact C-N 3.26Å; S271-T273 PolarHBondContact O-N 2.98Å; S271-T273 VanDerWaalsContact O-N 3.15Å; T273-S275 PolarHBondContact O-N 2.85Å |
| 274 | T | 56.1 | Low | 65.5 | Low | 147 Ų | 147 | 133.4 Ų | 133.4 | 90% | 0.902 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 37.8 | 58.4 | 147.1 | 57.3 | 0 | 0 | 0 | 0 | 116.7 | G272 | G272-T274 PolarHBondContact O-N 3.46Š|
| 275 | S | 58.1 | Low | 63.8 | Low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | -127.4 | 125.8 | 157.1 | 46.5 | 0 | 0 | 0 | 0 | 108.3 | T273 | T273-S275 PolarHBondContact O-N 2.85Š| ||
| 276 | K | 60.6 | Low | 62.2 | Low | 195 Ų | 195 | 136 Ų | 136 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | trans | -58.1 | 134.9 | 171.1 | -74.9 | 179.6 | 176.6 | 176.4 | 0 | 107.1 | T278 | K276-T278 PolarHBondContact O-N 3.27Š| ||
| 277 | P | 56.8 | Low | 60.7 | Low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | -61.3 | 106.4 | 175.3 | 25.7 | -33 | 0 | 0 | 0 | 107.9 | P279 | P277-P279 WeakPolarHBondContact O-CD 3.3Å; P277-P279 VanDerWaalsContact O-N 3.16Å | ||
| 278 | T | 59.8 | Low | 59 | Low | 124 Ų | 124 | 134.1 Ų | 134.1 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -59 | 120.3 | 168.4 | 35.7 | 0 | 0 | 0 | 0 | 106.1 | K276 I280 | K276-T278 PolarHBondContact O-N 3.27Å; T278-I280 PolarHBondContact O-N 2.68Å | ||
| 279 | P | 57.2 | Low | 57.4 | Low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -58 | 130.7 | -179 | 23.8 | -32.9 | 0 | 0 | 0 | 107.4 | P277 R281 | P277-P279 WeakPolarHBondContact O-CD 3.3Å; P277-P279 VanDerWaalsContact O-N 3.16Å; P279-R281 VanDerWaalsContact C-N 3.33Å; P279-R281 PolarHBondContact O-N 2.97Å | ||
| 280 | I | 57.2 | Low | 55.9 | Low | 167 Ų | 167 | 133.5 Ų | 133.5 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -56.5 | 103.1 | 177.9 | -64.7 | 176.1 | 0 | 0 | 0 | 106.3 | T278 A282 | T278-I280 PolarHBondContact O-N 2.68Å; I280-A282 PolarHBondContact O-N 3.13Å | ||
| 281 | R | 55.1 | Low | 55.1 | Low | 237 Ų | 237 | 134 Ų | 134 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | -63.6 | 104.3 | -169.7 | -170.1 | 178.7 | -168.9 | 175.4 | 4.7 | 106.8 | P279 V283 | P279-R281 VanDerWaalsContact C-N 3.33Å; P279-R281 PolarHBondContact O-N 2.97Å; R281-V283 PolarHBondContact O-N 3.16Å; R281-V283 VanDerWaalsContact O-N 3.1Å | ||
| 282 | A | 53.5 | Low | 54.3 | Low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | trans | -47.4 | 121.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | I280 R284 | I280-A282 PolarHBondContact O-N 3.13Å; A282-R284 PolarHBondContact O-N 2.96Å | ||
| 283 | V | 57.6 | Low | 53.5 | Low | 139 Ų | 139 | 139.2 Ų | 139.2 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -59 | 103.3 | -172.7 | 177 | 0 | 0 | 0 | 0 | 107.5 | R281 P285 | R281-V283 PolarHBondContact O-N 3.16Å; R281-V283 VanDerWaalsContact O-N 3.1Å; V283-P285 WeakPolarHBondContact O-CD 3.14Å | ||
| 284 | R | 56.7 | Low | 53 | Low | 209 Ų | 209 | 139.6 Ų | 139.6 | 79% | 0.789 | 80% | 0.803 | S | S | * | * | trans | -58.1 | 124.6 | -166.6 | -167.8 | -178 | -169.6 | -155.5 | 3.7 | 108.3 | A282 R286 | A282-R284 PolarHBondContact O-N 2.96Å; R284-R286 PolarHBondContact O-N 3.24Å | ||
| 285 | P | 52.1 | Low | 52.5 | Low | 114 Ų | 114 | 140.3 Ų | 140.3 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | trans | -52.4 | 118.2 | 178.5 | -28.4 | 35.6 | 0 | 0 | 0 | 109.9 | V283 P287 | V283-P285 WeakPolarHBondContact O-CD 3.14Å; P285-P287 WeakPolarHBondContact O-CD 3.17Å; P285-P287 VanDerWaalsContact O-N 3.11Å | ||
| 286 | R | 51.9 | Low | 51.6 | Low | 243 Ų | 243 | 141.7 Ų | 141.7 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -58.6 | 110 | -175.4 | 176.8 | -179.7 | 167.6 | -150.5 | -2.7 | 109.3 | R284 | R284-R286 PolarHBondContact O-N 3.24Š| ||
| 287 | P | 55.3 | Low | 51 | Low | 100 Ų | 100 | 138.4 Ų | 138.4 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | trans | -71.5 | 154.4 | -174 | -18.5 | 33.2 | 0 | 0 | 0 | 112.5 | P285 | P285-P287 WeakPolarHBondContact O-CD 3.17Å; P285-P287 VanDerWaalsContact O-N 3.11Å | ||
| 288 | G | 47.8 | Very low | 50.3 | Low | 79 Ų | 79 | 140.1 Ų | 140.1 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | 52.9 | 95.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 289 | A | 46.2 | Very low | 49.5 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -82.1 | 119.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 290 | S | 43.8 | Very low | 48.9 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 33 | 101.8 | 151.3 | -53.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 291 | T | 49.7 | Very low | 48.2 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | trans | -129.3 | 121.9 | 143 | 44 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 292 | S | 46 | Very low | 47.5 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -114.1 | 140 | -177.8 | 50.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 293 | N | 43.3 | Very low | 46.9 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -170 | 164.1 | 156.9 | -104.9 | -6.2 | 0 | 0 | 0 | 111.5 | ||||
| 294 | V | 48.3 | Very low | 46.2 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 70.5 | 105.3 | 179.1 | -162 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 295 | Q | 44.6 | Very low | 45.6 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | 62.2 | 139.9 | 75.2 | -62.6 | -172.9 | -98.1 | 0 | 0 | 112.5 | |||||
| 296 | E | 40.4 | Very low | 45 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | cis | -163.2 | 168.2 | -1.2 | -152.5 | 88.6 | -152.4 | 0 | 0 | 107.6 | ||||
| 297 | Q | 47.2 | Very low | 44.6 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 59% | 0.593 | 76% | 0.758 | S | S | * | * | cis | -148.8 | 178.1 | -10.6 | -149.8 | 163.5 | 87.2 | 0 | 0 | 109.9 | ||||
| 298 | H | 43 | Very low | 44.1 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | 68.3 | 157 | 164.6 | -49.7 | -54.9 | 0 | 0 | 0 | 117.5 | ||||
| 299 | R | 43.5 | Very low | 43.9 | Very low | 237 Ų | 237 | 138.5 Ų | 138.5 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | cis | -154.7 | 163.9 | -47.6 | -124.5 | -156.8 | 152.4 | 170.9 | -7 | 106.3 | ||||
| 300 | P | 43.7 | Very low | 43.7 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | -115 | 172.2 | -157.8 | 40.6 | -34.1 | 0 | 0 | 0 | 115.6 | ||||
| 301 | S | 43.2 | Very low | 43.6 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | 151.1 | 136 | 121.4 | -67.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 302 | N | 40.4 | Very low | 43 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | 76.1 | 147.9 | 139.6 | -71.3 | -13.2 | 0 | 0 | 0 | 124.2 | ||||
| 303 | S | 40 | Very low | 43.3 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 70.4 | 142.9 | 164 | -73.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 304 | R | 43.9 | Very low | 43.5 | Very low | 205 Ų | 205 | 145.3 Ų | 145.3 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | cis | 161.3 | 120 | -24 | -111.9 | -174.5 | -179.8 | -161.7 | 3.2 | 104.1 | ||||
| 305 | Q | 43.6 | Very low | 43.7 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | 62.1 | 151 | 147.9 | -62.7 | 168.5 | -40.1 | 0 | 0 | 119.7 | ||||
| 306 | G | 39.5 | Very low | 43.4 | Very low | 68 Ų | 68 | 144.9 Ų | 144.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 129.8 | 70.3 | -173 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 307 | S | 42.6 | Very low | 43.9 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | 70.6 | 106.5 | 78.1 | -64.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 308 | Q | 45.6 | Very low | 43.6 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | 45.7 | 123 | 141.2 | -51.7 | 179.4 | 17.2 | 0 | 0 | 119.5 | ||||
| 309 | T | 43.3 | Very low | 43.6 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | -167.5 | 168.6 | 104.7 | 18.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 310 | T | 42.6 | Very low | 43.5 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -80 | 151.8 | -175.7 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 311 | N | 42.1 | Very low | 43.7 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | -149.1 | 157.1 | 127 | -136 | -32.1 | 0 | 0 | 0 | 113.7 | |||||
| 312 | R | 37 | Very low | 43.9 | Very low | 181 Ų | 181 | 143 Ų | 143 | 68% | 0.683 | 79% | 0.791 | S | S | * | * | trans | -132.8 | 131.1 | -175.1 | 161.9 | -175 | 171.1 | 172.8 | -2.9 | 107.7 | ||||
| 313 | N | 51.8 | Low | 43.9 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -136.2 | 138.3 | 163 | -97.8 | -31.9 | 0 | 0 | 0 | 110.7 | ||||
| 314 | Q | 46.8 | Very low | 44.2 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -120.1 | 139.1 | 173.7 | -66.8 | 173.2 | -62.6 | 0 | 0 | 106.9 | ||||
| 315 | I | 51.8 | Low | 44 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -128.8 | 129.9 | 164.6 | -63.4 | -177.9 | 0 | 0 | 0 | 107.2 | ||||
| 316 | T | 40 | Very low | 44 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | -123.3 | 133.8 | -176.4 | -62 | 0 | 0 | 0 | 0 | 108.9 | Q318 | T316-Q318 HydrophobicContact CG2-CG 4.16Š| ||
| 317 | T | 50.3 | Low | 44 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -131.7 | 156.7 | 157.6 | 43.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 318 | Q | 41 | Very low | 44.1 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -127.3 | -177.7 | -159.9 | -58.8 | -179 | -2.9 | 0 | 0 | 112.6 | T316 | T316-Q318 HydrophobicContact CG2-CG 4.16Š| ||
| 319 | S | 43 | Very low | 44.1 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 97.4 | 148.5 | 162.2 | -159.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 320 | S | 42.1 | Very low | 44.1 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | -174.7 | 139.3 | -61.6 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 321 | V | 47.6 | Very low | 43.9 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | 168.3 | 124.9 | 150 | -87.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 322 | V | 46.7 | Very low | 43.5 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | 66.8 | 121.6 | 56.6 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 323 | G | 40.7 | Very low | 43.9 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | cis | -158.1 | -159.4 | -4.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 324 | T | 45.7 | Very low | 43.3 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | cis | -152.7 | 178.4 | 3.7 | 47.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 325 | A | 40 | Very low | 43.1 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | trans | -39.4 | 166.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 326 | S | 43.1 | Very low | 42.5 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | cis | -151.3 | 162.7 | 33.9 | -55.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 327 | D | 39.5 | Very low | 42.5 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 66% | 0.658 | 79% | 0.786 | S | S | * | * | trans | -67.3 | 168.9 | 179.2 | -52 | -104.9 | 0 | 0 | 0 | 114.8 | ||||
| 328 | T | 44.2 | Very low | 42 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | -161.7 | 117 | 83.1 | -54.3 | 0 | 0 | 0 | 0 | 107 | |||||
| 329 | Q | 47 | Very low | 41.9 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 65% | 0.654 | 78% | 0.777 | S | S | * | * | 46.5 | 139.8 | 93.3 | -63.4 | -174 | 24.2 | 0 | 0 | 114.6 | |||||
| 330 | N | 42.5 | Very low | 41.8 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -156.1 | 175.7 | -8.1 | -98 | -31.3 | 0 | 0 | 0 | 106.2 | ||||
| 331 | N | 39.8 | Very low | 41.6 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | cis | -149.7 | 179.3 | 11 | -159 | -18.8 | 0 | 0 | 0 | 109.3 | ||||
| 332 | R | 32.3 | Very low | 41.3 | Very low | 237 Ų | 237 | 139 Ų | 139 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | -146.4 | 98.1 | 172.5 | -169.6 | -173.1 | -162.2 | 176.5 | 6.9 | 112.2 | ||||
| 333 | T | 46.4 | Very low | 40.9 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | -120.7 | 137.4 | -178.5 | -50.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 334 | T | 38.6 | Very low | 40.8 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -104 | 128.7 | -178.2 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 335 | R | 42.2 | Very low | 40.5 | Very low | 248 Ų | 248 | 137.5 Ų | 137.5 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | trans | -154.2 | 171.7 | 152.1 | -146.5 | 106.5 | -172.5 | -94.1 | 1.5 | 112 | ||||
| 336 | S | 40.1 | Very low | 40.5 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -90.8 | 155.1 | -158.6 | 47.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 337 | R | 38.9 | Very low | 40.2 | Very low | 232 Ų | 232 | 143.5 Ų | 143.5 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | trans | -32.9 | 152.2 | 150.5 | -160.4 | 170.4 | 168.7 | -104.2 | -0.4 | 112.1 | ||||
| 338 | P | 41.3 | Very low | 40 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | -154.3 | 165.5 | 43.6 | 44.6 | -24 | 0 | 0 | 0 | 122.4 | ||||
| 339 | K | 38.4 | Very low | 39.5 | Very low | 188 Ų | 188 | 143.4 Ų | 143.4 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | trans | 64 | 122.4 | 144.1 | -166 | -179.4 | -178.3 | -172.2 | 0 | 120.5 | ||||
| 340 | P | 40.1 | Very low | 39.1 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -91.7 | 166.9 | 165.5 | 37.6 | -34 | 0 | 0 | 0 | 113.6 | ||||
| 341 | S | 38 | Very low | 38.7 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -153.5 | 170 | 171.4 | -165.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 342 | A | 41.4 | Very low | 38.3 | Very low | 91 Ų | 91 | 140.6 Ų | 140.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | 63.6 | 125.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 343 | A | 37.9 | Very low | 38.7 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | cis | 99.9 | 111.4 | 23 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 344 | A | 40.2 | Very low | 38.1 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -147.1 | 128.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 345 | T | 39.6 | Very low | 37.8 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 81% | 0.807 | S | S | * | * | trans | -106.5 | 136.9 | -167.8 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 346 | Y | 39.8 | Very low | 37.4 | Very low | 241 Ų | 241 | 137.2 Ų | 137.2 | 95% | 0.945 | 80% | 0.801 | S | S | * | * | trans | -142.3 | 138.8 | 141.7 | -87.6 | -70.9 | 0 | 0 | 0 | 109 | ||||
| 347 | A | 35.2 | Very low | 37.4 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -149.3 | 141 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 348 | T | 35.8 | Very low | 37.4 | Very low | 145 Ų | 145 | 134 Ų | 134 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -143.6 | 122.6 | 163 | -33.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 349 | S | 34.7 | Very low | 37.1 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -70 | 172.4 | 166.6 | -48.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 350 | T | 37.7 | Very low | 37.2 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | cis | -151 | 178.4 | 27.7 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 351 | T | 35.1 | Very low | 37 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | cis | -163.4 | 154 | -35.3 | -81.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 352 | S | 31.2 | Very low | 37 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -112.1 | 139 | 179.5 | -179.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 353 | T | 41.1 | Very low | 37 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -137.6 | 93.7 | 172.7 | 41.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 354 | N | 32.5 | Very low | 36.8 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -71.5 | 132.1 | 165.6 | -78.4 | -34.6 | 0 | 0 | 0 | 110.3 | ||||
| 355 | R | 32.9 | Very low | 36.7 | Very low | 244 Ų | 244 | 140.5 Ų | 140.5 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -143.1 | 118.1 | 158.6 | -121.5 | -176.9 | -170.5 | -160.6 | 2.2 | 112.3 | ||||
| 356 | T | 33.9 | Very low | 36.6 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -77.2 | 134.9 | 174.6 | -45.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 357 | T | 40.7 | Very low | 36.4 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -160 | 118.1 | 152.4 | 17.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 358 | N | 37.9 | Very low | 36.2 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 41.2 | 132.6 | 138 | -52.7 | -13.5 | 0 | 0 | 0 | 121.7 | ||||
| 359 | A | 34.3 | Very low | 36.3 | Very low | 92 Ų | 92 | 141 Ų | 141 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -75.9 | 175.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 360 | P | 41.8 | Very low | 36.5 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | -141.5 | 175.1 | 100.7 | 40 | -27.9 | 0 | 0 | 0 | 116 | |||||
| 361 | V | 35.8 | Very low | 36.3 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | -83.9 | 142.6 | 178.5 | 164.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 362 | N | 37.5 | Very low | 36.3 | Very low | 142 Ų | 142 | 144 Ų | 144 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -154.7 | 168.9 | 135.2 | -138.9 | -22 | 0 | 0 | 0 | 114.4 | ||||
| 363 | Q | 40.4 | Very low | 36.4 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 66% | 0.664 | 80% | 0.802 | S | S | * | * | trans | -80.7 | -180 | -176.3 | -54.8 | 155 | 10.6 | 0 | 0 | 110.4 | ||||
| 364 | R | 35.7 | Very low | 36.4 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | cis | -177.3 | 172.8 | 38.6 | -149.4 | -172.9 | 179.5 | 108.3 | -11.4 | 110 | ||||
| 365 | N | 37.1 | Very low | 36.9 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 65.9 | 125.4 | 167.7 | -52.9 | -10.7 | 0 | 0 | 0 | 114.9 | ||||
| 366 | Q | 37.1 | Very low | 37.5 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | cis | 63.4 | 108.9 | 39.8 | -60 | -165.3 | 14.5 | 0 | 0 | 115.6 | ||||
| 367 | C | 35.2 | Very low | 37.8 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -156.6 | 146.8 | 146.1 | -152.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 368 | S | 32.3 | Very low | 37.6 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -128.9 | 133.8 | -176.4 | -57.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 369 | I | 37 | Very low | 37.5 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | 176.5 | 142.8 | 172.4 | -102.2 | 148.5 | 0 | 0 | 0 | 106.4 | ||||
| 370 | S | 39.2 | Very low | 37.7 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | cis | -154.6 | 173.3 | -12.1 | 54.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 371 | Q | 34.3 | Very low | 37.5 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -74.7 | 156.4 | 177.5 | -63.3 | 162.7 | -29.2 | 0 | 0 | 112.8 | ||||
| 372 | C | 33.5 | Very low | 37.9 | Very low | 128 Ų | 128 | 146 Ų | 146 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -146.1 | 149 | 147.6 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 373 | S | 34.5 | Very low | 38.2 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -151.9 | 145.3 | -177.1 | -54.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 374 | S | 40.6 | Very low | 38.3 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | 173 | 164.4 | 147.1 | -84.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 375 | N | 43 | Very low | 38.5 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | 86.7 | 110 | 174.5 | -55.4 | -4.8 | 0 | 0 | 0 | 114.8 | ||||
| 376 | Q | 45.2 | Very low | 38.7 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | cis | 76 | 140.8 | 47.3 | -64 | -174.7 | 34 | 0 | 0 | 114.1 | ||||
| 377 | Q | 39.9 | Very low | 38.8 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | cis | -171.9 | 153.3 | -29.9 | -124.5 | 175 | 8.4 | 0 | 0 | 109.9 | ||||
| 378 | G | 38 | Very low | 39.2 | Very low | 65 Ų | 65 | 140.5 Ų | 140.5 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | 156.6 | 128.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 379 | R | 36 | Very low | 39.9 | Very low | 250 Ų | 250 | 141.3 Ų | 141.3 | 94% | 0.943 | 76% | 0.764 | S | S | * | * | 71.6 | 129.2 | 51.9 | -69.5 | -169 | 170.3 | -161.4 | -3 | 112.5 | |||||
| 380 | S | 38.4 | Very low | 40.2 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | cis | -142.5 | -171.2 | 11.9 | -54.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 381 | S | 36.9 | Very low | 41 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -135.7 | 151 | -171.7 | 55 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 382 | E | 43.1 | Very low | 41.6 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -161.5 | 132.2 | 163.1 | -108.3 | 142.4 | -158.4 | 0 | 0 | 113.2 | ||||
| 383 | H | 44.6 | Very low | 42.4 | Very low | 169 Ų | 169 | 143 Ų | 143 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | 30.5 | 157.4 | 138.1 | -67.8 | -81.1 | 0 | 0 | 0 | 123.3 | ||||
| 384 | N | 43.5 | Very low | 42.9 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | cis | -155.1 | 173.4 | 9.8 | -142.3 | 19.7 | 0 | 0 | 0 | 117 | ||||
| 385 | N | 38.3 | Very low | 42.9 | Very low | 109 Ų | 109 | 147.5 Ų | 147.5 | 58% | 0.583 | 75% | 0.751 | S | S | * | * | trans | -32.3 | 168.9 | 153.6 | -70.1 | 23.1 | 0 | 0 | 0 | 119 | ||||
| 386 | E | 41 | Very low | 42.7 | Very low | 149 Ų | 149 | 148.7 Ų | 148.7 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | cis | -168.9 | 170.6 | -1.5 | -114.4 | 162.6 | 154.7 | 0 | 0 | 112.5 | ||||
| 387 | N | 40.8 | Very low | 42.2 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | trans | 68.1 | 163 | 154.6 | -62.1 | -11.7 | 0 | 0 | 0 | 120 | ||||
| 388 | H | 44 | Very low | 42.1 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | cis | -149.9 | 159.9 | 2.6 | -123.6 | -62.5 | 0 | 0 | 0 | 110.7 | ||||
| 389 | D | 45.5 | Very low | 42.1 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | trans | 50.6 | 129.4 | 155.1 | -47.5 | -30.4 | 0 | 0 | 0 | 121 | ||||
| 390 | E | 44.2 | Very low | 42.3 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | cis | 76.4 | 103.3 | 47 | -68 | -65.4 | 159.2 | 0 | 0 | 115.2 | ||||
| 391 | D | 54.8 | Low | 42.2 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | -161.3 | 146.1 | 144.4 | -135.1 | -22.3 | 0 | 0 | 0 | 111.7 | ||||
| 392 | D | 47.6 | Very low | 42.3 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 52% | 0.519 | 73% | 0.731 | S | S | . | * | trans | -120.4 | 120.4 | -160.1 | -177.2 | 3.3 | 0 | 0 | 0 | 112.4 | K394 | D392-K394 IonicContact OD1-NZ 2.58Å; D392-K394 PolarHBondContact OD1-NZ 3.23Å; D392-K394 IonicContact OD2-NZ 3.38Å; D392-K394 PolarHBondContact OD2-NZ 3.07Å | ||
| 393 | L | 51.5 | Low | 42.7 | Very low | 177 Ų | 177 | 139 Ų | 139 | 93% | 0.927 | 73% | 0.727 | S | S | * | * | trans | -145.9 | 136 | 163.4 | -141.1 | 72.1 | 0 | 0 | 0 | 113.7 | ||||
| 394 | K | 45.1 | Very low | 42.9 | Very low | 143 Ų | 143 | 141 Ų | 141 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | trans | -111 | 160.9 | -161.1 | -68.9 | 179.6 | 175.8 | 65.6 | 0 | 113.6 | D392 | D392-K394 IonicContact OD1-NZ 2.58Å; D392-K394 PolarHBondContact OD1-NZ 3.23Å; D392-K394 IonicContact OD2-NZ 3.38Å; D392-K394 PolarHBondContact OD2-NZ 3.07Å | ||
| 395 | H | 40 | Very low | 43.2 | Very low | 171 Ų | 171 | 141.4 Ų | 141.4 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | trans | 62.4 | 108.7 | 160.9 | -77.7 | -147.7 | 0 | 0 | 0 | 117.9 | ||||
| 396 | L | 38.6 | Very low | 43.7 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | -167.5 | 147.1 | 94.8 | -99.6 | 165.4 | 0 | 0 | 0 | 112.8 | |||||
| 397 | T | 34.9 | Very low | 44.5 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | -72.6 | 133.4 | -169.7 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 398 | I | 37.1 | Very low | 45.4 | Very low | 146 Ų | 146 | 136 Ų | 136 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | trans | -149.5 | 120.4 | 137.3 | -95 | 153.7 | 0 | 0 | 0 | 107.7 | K400 | I398-K400 HydrophobicContact CG2-CG 4.09Å; I398-K400 PolarHBondContact O-N 2.84Å | ||
| 399 | S | 37.7 | Very low | 46.1 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 70% | 0.697 | S | S | * | * | trans | -81.4 | 94.9 | -176.1 | -54.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 400 | K | 40.8 | Very low | 46.9 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | -93.2 | 129.1 | 171.1 | -74.5 | 176.4 | -178.9 | 173.4 | 0 | 111 | I398 | I398-K400 HydrophobicContact CG2-CG 4.09Å; I398-K400 PolarHBondContact O-N 2.84Å | ||
| 401 | P | 36.7 | Very low | 48.2 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 80% | 0.799 | 68% | 0.682 | S | S | * | * | trans | -75.6 | 138.4 | 177.9 | 30.1 | -34.1 | 0 | 0 | 0 | 112.8 | ||||
| 402 | S | 39.4 | Very low | 49.1 | Very low | 52 Ų | 52 | 129.4 Ų | 129.4 | 36% | 0.364 | 67% | 0.668 | S | S | . | * | trans | 39.7 | 87.5 | 162.3 | -159.5 | 0 | 0 | 0 | 0 | 119.5 | E405 | S402-E405 WeakPolarHBondContact CB-OE2 3.36Å; S402-E405 WeakPolarHBondContact OG-CG 3.25Å; S402-E405 PolarHBondContact OG-N 2.89Å; S402-E405 PolarHBondContact OG-OE2 3.02Å | ||
| 403 | T | 50.8 | Low | 50.6 | Low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -82.8 | -18.3 | 152.7 | 37.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 404 | R | 49.4 | Very low | 51.9 | Low | 210 Ų | 210 | 124 Ų | 124 | 79% | 0.792 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.8 | -26.4 | -169 | -167 | 170.6 | 177 | 168.8 | -1.6 | 114.4 | T407 | R404-T407 PolarHBondContact O-OG1 3.29Å; R404-T407 VanDerWaalsContact O-OG1 3.08Å |
| 405 | E | 48.7 | Very low | 53.7 | Low | 135 Ų | 135 | 123.5 Ų | 123.5 | 63% | 0.631 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76.6 | -30.2 | 176.5 | -69.4 | 168 | 119.8 | 0 | 0 | 112.6 | S402 S409 | S402-E405 WeakPolarHBondContact CB-OE2 3.36Å; S402-E405 WeakPolarHBondContact OG-CG 3.25Å; S402-E405 PolarHBondContact OG-N 2.89Å; S402-E405 PolarHBondContact OG-OE2 3.02Å; E405-S409 WeakPolarHBondContact O-CB 3.28Å; E405-S409 PolarHBondContact O-N 2.83Å; E405-S409 PolarHBondContact O-OG 3.08Å |
| 406 | N | 49.5 | Very low | 55.7 | Low | 118 Ų | 118 | 117.6 Ų | 117.6 | 63% | 0.631 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.1 | -37.7 | 178.4 | -89.4 | -50 | 0 | 0 | 0 | 112.5 | R410 | N406-R410 VanDerWaalsContact O-CB 3.29Å; N406-R410 WeakPolarHBondContact O-CB 3.26Å; N406-R410 PolarHBondContact O-N 3.13Å |
| 407 | T | 58 | Low | 57.7 | Low | 77 Ų | 77 | 113.2 Ų | 113.2 | 47% | 0.472 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.7 | -45.6 | 177.1 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | R404 S409 R410 N411 | R404-T407 PolarHBondContact O-OG1 3.29Å; R404-T407 VanDerWaalsContact O-OG1 3.08Å; T407-S409 VanDerWaalsContact C-N 3.31Å; T407-S409 PolarHBondContact O-N 3.17Å; T407-R410 PolarHBondContact O-N 3.28Å; T407-N411 WeakPolarHBondContact O-CB 3.13Å; T407-N411 PolarHBondContact O-N 3.49Å; T407-N411 PolarHBondContact O-OD1 2.96Å |
| 408 | V | 58.6 | Low | 60.2 | Low | 72 Ų | 72 | 112.9 Ų | 112.9 | 44% | 0.436 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58.8 | -43.2 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | N411 K412 | V408-N411 PolarHBondContact O-N 2.91Å; V408-K412 WeakPolarHBondContact O-CG 3.3Å; V408-K412 PolarHBondContact O-N 3.24Å; V408-K412 VanDerWaalsContact O-N 3.08Å |
| 409 | S | 60.1 | Low | 62.6 | Low | 68 Ų | 68 | 108.8 Ų | 108.8 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -43.8 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | E405 T407 N411 K412 V413 | E405-S409 WeakPolarHBondContact O-CB 3.28Å; E405-S409 PolarHBondContact O-N 2.83Å; E405-S409 PolarHBondContact O-OG 3.08Å; T407-S409 VanDerWaalsContact C-N 3.31Å; T407-S409 PolarHBondContact O-N 3.17Å; S409-N411 PolarHBondContact O-N 2.87Å; S409-K412 PolarHBondContact O-N 2.86Å; S409-V413 WeakPolarHBondContact O-CG2 3.26Å; S409-V413 PolarHBondContact O-N 2.72Å; S409-V413 VanDerWaalsContact O-N 3.08Å |
| 410 | R | 61.2 | Low | 64.9 | Low | 173 Ų | 173 | 110.5 Ų | 110.5 | 65% | 0.653 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.5 | -38.8 | 177.2 | -167.9 | 175.4 | -176 | 111.5 | -2.2 | 111.9 | N406 T407 V413 N414 | N406-R410 VanDerWaalsContact O-CB 3.29Å; N406-R410 WeakPolarHBondContact O-CB 3.26Å; N406-R410 PolarHBondContact O-N 3.13Å; T407-R410 PolarHBondContact O-N 3.28Å; R410-V413 PolarHBondContact O-N 3.38Å; R410-N414 PolarHBondContact O-N 3.44Å |
| 411 | N | 70.8 | Confident | 67.2 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 54% | 0.54 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.2 | -47.2 | 176.6 | -70.1 | -1.2 | 0 | 0 | 0 | 111.5 | T407 V408 S409 V413 N414 E415 | T407-N411 WeakPolarHBondContact O-CB 3.13Å; T407-N411 PolarHBondContact O-N 3.49Å; T407-N411 PolarHBondContact O-OD1 2.96Å; V408-N411 PolarHBondContact O-N 2.91Å; S409-N411 PolarHBondContact O-N 2.87Å; N411-V413 VanDerWaalsContact C-N 3.29Å; N411-V413 PolarHBondContact O-N 2.76Å; N411-N414 PolarHBondContact O-N 3.33Å; N411-N414 VanDerWaalsContact O-N 3.16Å; N411-E415 WeakPolarHBondContact O-CB 3.42Å; N411-E415 PolarHBondContact O-N 2.7Å |
| 412 | K | 75.6 | Confident | 69.9 | Low | 138 Ų | 138 | 112 Ų | 112 | 60% | 0.6 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.1 | -36.8 | 174.5 | -73.1 | -179.5 | 177.1 | -174.7 | 0 | 113 | V408 S409 S416 | V408-K412 WeakPolarHBondContact O-CG 3.3Å; V408-K412 PolarHBondContact O-N 3.24Å; V408-K412 VanDerWaalsContact O-N 3.08Å; S409-K412 PolarHBondContact O-N 2.86Å; K412-S416 VanDerWaalsContact O-CB 3.23Å; K412-S416 WeakPolarHBondContact O-CB 3.44Å; K412-S416 PolarHBondContact O-N 2.9Å |
| 413 | V | 77.1 | Confident | 72.3 | Confident | 84 Ų | 84 | 112.5 Ų | 112.5 | 51% | 0.509 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.4 | -44.8 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | S409 R410 N411 S416 I417 | S409-V413 WeakPolarHBondContact O-CG2 3.26Å; S409-V413 PolarHBondContact O-N 2.72Å; S409-V413 VanDerWaalsContact O-N 3.08Å; R410-V413 PolarHBondContact O-N 3.38Å; N411-V413 VanDerWaalsContact C-N 3.29Å; N411-V413 PolarHBondContact O-N 2.76Å; V413-S416 PolarHBondContact O-N 2.84Å; V413-I417 HydrophobicContact CG1-CD1 3.97Å; V413-I417 WeakPolarHBondContact O-CG1 3.45Å; V413-I417 PolarHBondContact O-N 3.24Å |
| 414 | N | 80.7 | Confident | 74.3 | Confident | 76 Ų | 76 | 110.9 Ų | 110.9 | 41% | 0.406 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.1 | -47 | 177 | -71.7 | -11.5 | 0 | 0 | 0 | 111.7 | R410 N411 S416 I417 I418 | R410-N414 PolarHBondContact O-N 3.44Å; N411-N414 PolarHBondContact O-N 3.33Å; N411-N414 VanDerWaalsContact O-N 3.16Å; N414-S416 VanDerWaalsContact C-N 3.33Å; N414-S416 PolarHBondContact O-N 2.85Å; N414-I417 WeakPolarHBondContact O-CB 3.42Å; N414-I417 PolarHBondContact O-N 3.38Å; N414-I417 VanDerWaalsContact O-N 3.07Å; N414-I418 WeakPolarHBondContact O-CG1 3.45Å; N414-I418 PolarHBondContact O-N 3.44Å |
| 415 | E | 81 | Confident | 76.3 | Confident | 133 Ų | 133 | 106 Ų | 106 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -57.9 | -44.1 | 175.3 | -174.9 | 175.4 | -155.8 | 0 | 0 | 111.5 | N411 I417 I418 A419 | N411-E415 WeakPolarHBondContact O-CB 3.42Å; N411-E415 PolarHBondContact O-N 2.7Å; E415-I417 VanDerWaalsContact C-N 3.28Å; E415-I417 PolarHBondContact O-N 2.76Å; E415-I418 PolarHBondContact O-N 3.23Å; E415-A419 WeakPolarHBondContact O-CB 3.08Å; E415-A419 PolarHBondContact O-N 3Å |
| 416 | S | 82.1 | Confident | 78.4 | Confident | 47 Ų | 47 | 101 Ų | 101 | 33% | 0.329 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -27.5 | 175 | -169.9 | 0 | 0 | 0 | 0 | 113.9 | K412 V413 N414 R420 | K412-S416 VanDerWaalsContact O-CB 3.23Å; K412-S416 WeakPolarHBondContact O-CB 3.44Å; K412-S416 PolarHBondContact O-N 2.9Å; V413-S416 PolarHBondContact O-N 2.84Å; N414-S416 VanDerWaalsContact C-N 3.33Å; N414-S416 PolarHBondContact O-N 2.85Å; S416-R420 WeakPolarHBondContact O-CB 3.42Å; S416-R420 WeakPolarHBondContact O-CG 3.45Å; S416-R420 PolarHBondContact O-N 3.15Å; S416-R420 PolarHBondContact O-NE 2.96Å; S416-R420 PolarHBondContact OG-NH2 3.37Å |
| 417 | I | 81.8 | Confident | 80.3 | Confident | 72 Ų | 72 | 98 Ų | 98 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76.7 | -41.9 | 173.5 | -69.4 | 163.1 | 0 | 0 | 0 | 110.6 | V413 N414 E415 R420 R421 | V413-I417 HydrophobicContact CG1-CD1 3.97Å; V413-I417 WeakPolarHBondContact O-CG1 3.45Å; V413-I417 PolarHBondContact O-N 3.24Å; N414-I417 WeakPolarHBondContact O-CB 3.42Å; N414-I417 PolarHBondContact O-N 3.38Å; N414-I417 VanDerWaalsContact O-N 3.07Å; E415-I417 VanDerWaalsContact C-N 3.28Å; E415-I417 PolarHBondContact O-N 2.76Å; I417-R420 PolarHBondContact O-N 2.88Å; I417-R421 PolarHBondContact O-N 3.39Å |
| 418 | I | 87.7 | Confident | 82 | Confident | 114 Ų | 114 | 99.9 Ų | 99.9 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.5 | -47.6 | 176.8 | -66.6 | 163.4 | 0 | 0 | 0 | 110.4 | N414 E415 R420 R421 K422 | N414-I418 WeakPolarHBondContact O-CG1 3.45Å; N414-I418 PolarHBondContact O-N 3.44Å; E415-I418 PolarHBondContact O-N 3.23Å; I418-R420 VanDerWaalsContact C-N 3.31Å; I418-R420 PolarHBondContact O-N 2.94Å; I418-R421 PolarHBondContact O-N 3.43Å; I418-K422 PolarHBondContact O-N 2.88Å |
| 419 | A | 87.1 | Confident | 83.7 | Confident | 60 Ų | 60 | 101.6 Ų | 101.6 | 50% | 0.496 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E415 K422 A423 | E415-A419 WeakPolarHBondContact O-CB 3.08Å; E415-A419 PolarHBondContact O-N 3Å; A419-K422 PolarHBondContact O-N 3.21Å; A419-A423 WeakPolarHBondContact O-CB 3.19Å; A419-A423 PolarHBondContact O-N 3.02Å |
| 420 | R | 85.6 | Confident | 85.1 | Confident | 158 Ų | 158 | 107.1 Ų | 107.1 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 175.3 | -82.4 | -179.6 | -96.7 | -169.4 | -10.6 | 113 | S416 I417 I418 A423 V424 | S416-R420 WeakPolarHBondContact O-CB 3.42Å; S416-R420 WeakPolarHBondContact O-CG 3.45Å; S416-R420 PolarHBondContact O-N 3.15Å; S416-R420 PolarHBondContact O-NE 2.96Å; S416-R420 PolarHBondContact OG-NH2 3.37Å; I417-R420 PolarHBondContact O-N 2.88Å; I418-R420 VanDerWaalsContact C-N 3.31Å; I418-R420 PolarHBondContact O-N 2.94Å; R420-A423 PolarHBondContact O-N 3.18Å; R420-V424 WeakPolarHBondContact O-CG2 3.34Å; R420-V424 PolarHBondContact O-N 3.23Å; R420-V424 VanDerWaalsContact O-N 3.13Å |
| 421 | R | 90.2 | Very high | 86.4 | Confident | 188 Ų | 188 | 101 Ų | 101 | 71% | 0.709 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61 | -50.4 | 174.3 | -76.9 | 180 | 170.4 | -173.8 | -3.9 | 111.3 | I417 I418 A423 V424 E425 | I417-R421 PolarHBondContact O-N 3.39Å; I418-R421 PolarHBondContact O-N 3.43Å; R421-A423 VanDerWaalsContact C-N 3.29Å; R421-A423 PolarHBondContact O-N 3.11Å; R421-V424 PolarHBondContact O-N 2.92Å; R421-V424 VanDerWaalsContact O-N 3.14Å; R421-E425 PolarHBondContact O-N 3.45Å |
| 422 | K | 93.3 | Very high | 87.4 | Confident | 152 Ų | 152 | 98.7 Ų | 98.7 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -35.2 | 178.9 | -169.2 | 171.8 | -176.2 | 174.7 | 0 | 112.7 | I418 A419 A426 | I418-K422 PolarHBondContact O-N 2.88Å; A419-K422 PolarHBondContact O-N 3.21Å; K422-A426 VanDerWaalsContact O-CB 3.27Å; K422-A426 WeakPolarHBondContact O-CB 3.5Å; K422-A426 PolarHBondContact O-N 3.1Å |
| 423 | A | 89 | Confident | 88.1 | Confident | 63 Ų | 63 | 97.5 Ų | 97.5 | 52% | 0.521 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.9 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | A419 R420 R421 A427 | A419-A423 WeakPolarHBondContact O-CB 3.19Å; A419-A423 PolarHBondContact O-N 3.02Å; R420-A423 PolarHBondContact O-N 3.18Å; R421-A423 VanDerWaalsContact C-N 3.29Å; R421-A423 PolarHBondContact O-N 3.11Å; A423-A427 WeakPolarHBondContact O-CB 3.3Å; A423-A427 PolarHBondContact O-N 3.36Å; A423-A427 VanDerWaalsContact O-N 3.13Å |
| 424 | V | 92.4 | Very high | 88.7 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 175 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | R420 R421 A427 L428 | R420-V424 WeakPolarHBondContact O-CG2 3.34Å; R420-V424 PolarHBondContact O-N 3.23Å; R420-V424 VanDerWaalsContact O-N 3.13Å; R421-V424 PolarHBondContact O-N 2.92Å; R421-V424 VanDerWaalsContact O-N 3.14Å; V424-A427 WeakPolarHBondContact O-CB 3.43Å; V424-A427 PolarHBondContact O-N 3.22Å; V424-A427 VanDerWaalsContact O-N 3.11Å; V424-L428 HydrophobicContact CG1-CD1 4.16Å; V424-L428 WeakPolarHBondContact O-CG 3.29Å; V424-L428 PolarHBondContact O-N 3.16Å |
| 425 | E | 92.7 | Very high | 88.9 | Confident | 107 Ų | 107 | 97.6 Ų | 97.6 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 176.1 | -172.4 | -176.1 | 171.6 | 0 | 0 | 111.8 | R421 A427 L428 Q429 | R421-E425 PolarHBondContact O-N 3.45Å; E425-A427 PolarHBondContact O-N 2.78Å; E425-L428 PolarHBondContact O-N 3.03Å; E425-Q429 WeakPolarHBondContact O-CG 3.4Å; E425-Q429 PolarHBondContact O-N 3.44Å |
| 426 | A | 91.3 | Very high | 89.1 | Confident | 29 Ų | 29 | 94.5 Ų | 94.5 | 24% | 0.24 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -68 | -15.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | K422 R430 | K422-A426 VanDerWaalsContact O-CB 3.27Å; K422-A426 WeakPolarHBondContact O-CB 3.5Å; K422-A426 PolarHBondContact O-N 3.1Å; A426-R430 VanDerWaalsContact O-CG 3.3Å; A426-R430 WeakPolarHBondContact O-CG 3.32Å; A426-R430 PolarHBondContact O-NE 2.98Å |
| 427 | A | 90.8 | Very high | 89.2 | Confident | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -83.8 | -41.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A423 V424 E425 R430 A431 | A423-A427 WeakPolarHBondContact O-CB 3.3Å; A423-A427 PolarHBondContact O-N 3.36Å; A423-A427 VanDerWaalsContact O-N 3.13Å; V424-A427 WeakPolarHBondContact O-CB 3.43Å; V424-A427 PolarHBondContact O-N 3.22Å; V424-A427 VanDerWaalsContact O-N 3.11Å; E425-A427 PolarHBondContact O-N 2.78Å; A427-R430 PolarHBondContact O-N 2.93Å; A427-A431 PolarHBondContact O-N 3.26Å |
| 428 | L | 93.2 | Very high | 89.3 | Confident | 116 Ų | 116 | 98 Ų | 98 | 61% | 0.607 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 174.5 | -69 | 170.3 | 0 | 0 | 0 | 111.9 | V424 E425 R430 A431 A432 | V424-L428 HydrophobicContact CG1-CD1 4.16Å; V424-L428 WeakPolarHBondContact O-CG 3.29Å; V424-L428 PolarHBondContact O-N 3.16Å; E425-L428 PolarHBondContact O-N 3.03Å; L428-R430 VanDerWaalsContact C-N 3.33Å; L428-R430 PolarHBondContact O-N 3.37Å; L428-A431 PolarHBondContact O-N 2.99Å; L428-A432 PolarHBondContact O-N 3.24Å |
| 429 | Q | 93.3 | Very high | 89 | Confident | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 173.9 | -71.9 | 172.4 | -2.3 | 0 | 0 | 112.1 | E425 L433 | E425-Q429 WeakPolarHBondContact O-CG 3.4Å; E425-Q429 PolarHBondContact O-N 3.44Å; Q429-L433 WeakPolarHBondContact O-CB 3.38Å; Q429-L433 WeakPolarHBondContact O-CG 3.31Å; Q429-L433 PolarHBondContact O-N 2.68Å |
| 430 | R | 89.9 | Confident | 88.6 | Confident | 183 Ų | 183 | 102 Ų | 102 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.8 | -37.5 | 175.1 | -73.1 | 177.5 | -135.6 | -155.4 | -1.3 | 112.7 | A426 A427 L428 S434 | A426-R430 VanDerWaalsContact O-CG 3.3Å; A426-R430 WeakPolarHBondContact O-CG 3.32Å; A426-R430 PolarHBondContact O-NE 2.98Å; A427-R430 PolarHBondContact O-N 2.93Å; L428-R430 VanDerWaalsContact C-N 3.33Å; L428-R430 PolarHBondContact O-N 3.37Å; R430-S434 WeakPolarHBondContact O-CB 3.39Å; R430-S434 PolarHBondContact O-N 3.04Å |
| 431 | A | 89.9 | Confident | 88.2 | Confident | 46 Ų | 46 | 99.9 Ų | 99.9 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -51.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A427 L428 L433 S434 D435 | A427-A431 PolarHBondContact O-N 3.26Å; L428-A431 PolarHBondContact O-N 2.99Å; A431-L433 VanDerWaalsContact C-N 3.31Å; A431-L433 PolarHBondContact O-N 3.37Å; A431-S434 CarbonylContact O-C 3.51Å; A431-S434 WeakPolarHBondContact O-CA 3.43Å; A431-S434 VanDerWaalsContact O-CB 3.31Å; A431-S434 WeakPolarHBondContact O-CB 3.45Å; A431-S434 PolarHBondContact O-N 2.99Å; A431-D435 VanDerWaalsContact O-CG 3.3Å; A431-D435 PolarHBondContact O-N 3.28Å |
| 432 | A | 90.1 | Very high | 87.5 | Confident | 52 Ų | 52 | 97.6 Ų | 97.6 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L428 T436 | L428-A432 PolarHBondContact O-N 3.24Å; A432-T436 WeakPolarHBondContact O-CB 3.5Å; A432-T436 PolarHBondContact O-N 3Å; A432-T436 PolarHBondContact O-OG1 2.98Å |
| 433 | L | 91.6 | Very high | 86 | Confident | 112 Ų | 112 | 93 Ų | 93 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.2 | -39.2 | 172.8 | -72.6 | 171.6 | 0 | 0 | 0 | 112.1 | Q429 A431 T436 I437 | Q429-L433 WeakPolarHBondContact O-CB 3.38Å; Q429-L433 WeakPolarHBondContact O-CG 3.31Å; Q429-L433 PolarHBondContact O-N 2.68Å; A431-L433 VanDerWaalsContact C-N 3.31Å; A431-L433 PolarHBondContact O-N 3.37Å; L433-T436 PolarHBondContact O-N 3.3Å; L433-I437 WeakPolarHBondContact O-CD1 3.29Å; L433-I437 VanDerWaalsContact O-CG1 3.29Å; L433-I437 WeakPolarHBondContact O-CG1 3.49Å; L433-I437 PolarHBondContact O-N 2.85Å |
| 434 | S | 88.8 | Confident | 84.4 | Confident | 68 Ų | 68 | 95.7 Ų | 95.7 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 174.1 | -164.4 | 0 | 0 | 0 | 0 | 111.5 | R430 A431 T436 I437 Q438 | R430-S434 WeakPolarHBondContact O-CB 3.39Å; R430-S434 PolarHBondContact O-N 3.04Å; A431-S434 CarbonylContact O-C 3.51Å; A431-S434 WeakPolarHBondContact O-CA 3.43Å; A431-S434 VanDerWaalsContact O-CB 3.31Å; A431-S434 WeakPolarHBondContact O-CB 3.45Å; A431-S434 PolarHBondContact O-N 2.99Å; S434-T436 VanDerWaalsContact C-N 3.31Å; S434-T436 PolarHBondContact O-N 2.78Å; S434-I437 PolarHBondContact O-N 2.74Å; S434-Q438 WeakPolarHBondContact O-CB 3.36Å; S434-Q438 PolarHBondContact O-N 2.86Å |
| 435 | D | 85 | Confident | 82.6 | Confident | 95 Ų | 95 | 96.8 Ų | 96.8 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 177.5 | -62 | -28 | 0 | 0 | 0 | 111.3 | A431 Q438 Q439 | A431-D435 VanDerWaalsContact O-CG 3.3Å; A431-D435 PolarHBondContact O-N 3.28Å; D435-Q438 WeakPolarHBondContact O-CB 3.48Å; D435-Q438 PolarHBondContact O-N 3.44Å; D435-Q439 VanDerWaalsContact O-CG 3.32Å; D435-Q439 WeakPolarHBondContact O-CG 3.32Å; D435-Q439 PolarHBondContact O-N 3.47Å |
| 436 | T | 85.9 | Confident | 80.8 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 41% | 0.411 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -44 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | A432 L433 S434 Q439 Q440 | A432-T436 WeakPolarHBondContact O-CB 3.5Å; A432-T436 PolarHBondContact O-N 3Å; A432-T436 PolarHBondContact O-OG1 2.98Å; L433-T436 PolarHBondContact O-N 3.3Å; S434-T436 VanDerWaalsContact C-N 3.31Å; S434-T436 PolarHBondContact O-N 2.78Å; T436-Q439 PolarHBondContact O-N 3.45Å; T436-Q440 WeakPolarHBondContact O-CG 3.4Å; T436-Q440 PolarHBondContact O-N 2.97Å |
| 437 | I | 84.9 | Confident | 78.8 | Confident | 96 Ų | 96 | 104 Ų | 104 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.9 | -41.3 | 176 | -68.9 | 163.3 | 0 | 0 | 0 | 110.5 | L433 S434 Q439 Q440 I441 | L433-I437 WeakPolarHBondContact O-CD1 3.29Å; L433-I437 VanDerWaalsContact O-CG1 3.29Å; L433-I437 WeakPolarHBondContact O-CG1 3.49Å; L433-I437 PolarHBondContact O-N 2.85Å; S434-I437 PolarHBondContact O-N 2.74Å; I437-Q439 PolarHBondContact O-N 3.18Å; I437-Q440 PolarHBondContact O-N 3.42Å; I437-I441 HydrophobicContact CG2-CD1 3.94Å; I437-I441 WeakPolarHBondContact O-CG1 3.44Å; I437-I441 PolarHBondContact O-N 3.01Å |
| 438 | Q | 82.2 | Confident | 76.4 | Confident | 96 Ų | 96 | 112.6 Ų | 112.6 | 45% | 0.449 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -58.1 | -47.1 | 175.5 | -165.5 | 73.2 | 29.8 | 0 | 0 | 111 | S434 D435 Q440 I441 E442 | S434-Q438 WeakPolarHBondContact O-CB 3.36Å; S434-Q438 PolarHBondContact O-N 2.86Å; D435-Q438 WeakPolarHBondContact O-CB 3.48Å; D435-Q438 PolarHBondContact O-N 3.44Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.21Å; Q438-I441 PolarHBondContact O-N 2.96Å; Q438-E442 WeakPolarHBondContact CG-OE1 3.41Å; Q438-E442 PolarHBondContact NE2-OE1 3.05Å; Q438-E442 PolarHBondContact O-N 2.83Å |
| 439 | Q | 81.3 | Confident | 75.6 | Confident | 136 Ų | 136 | 112.4 Ų | 112.4 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.8 | -33.4 | 175.8 | -71.8 | 173.1 | 22.1 | 0 | 0 | 113.3 | D435 T436 I437 I441 G443 | D435-Q439 VanDerWaalsContact O-CG 3.32Å; D435-Q439 WeakPolarHBondContact O-CG 3.32Å; D435-Q439 PolarHBondContact O-N 3.47Å; T436-Q439 PolarHBondContact O-N 3.45Å; I437-Q439 PolarHBondContact O-N 3.18Å; Q439-I441 VanDerWaalsContact C-N 3.34Å; Q439-G443 WeakPolarHBondContact O-CA 3.36Å; Q439-G443 PolarHBondContact O-N 3.38Å |
| 440 | Q | 78.9 | Confident | 74.6 | Confident | 123 Ų | 123 | 112.6 Ų | 112.6 | 58% | 0.575 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.4 | -28.9 | 174.8 | -75 | 178.3 | -17.3 | 0 | 0 | 113.1 | T436 I437 Q438 N444 | T436-Q440 WeakPolarHBondContact O-CG 3.4Å; T436-Q440 PolarHBondContact O-N 2.97Å; I437-Q440 PolarHBondContact O-N 3.42Å; Q438-Q440 VanDerWaalsContact C-N 3.35Å; Q438-Q440 PolarHBondContact O-N 3.21Å; Q440-N444 PolarHBondContact O-ND2 2.89Å |
| 441 | I | 78 | Confident | 73.8 | Confident | 113 Ų | 113 | 108.7 Ų | 108.7 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76 | -45.8 | 174 | -66.7 | 163.9 | 0 | 0 | 0 | 110.3 | I437 Q438 Q439 | I437-I441 HydrophobicContact CG2-CD1 3.94Å; I437-I441 WeakPolarHBondContact O-CG1 3.44Å; I437-I441 PolarHBondContact O-N 3.01Å; Q438-I441 PolarHBondContact O-N 2.96Å; Q439-I441 VanDerWaalsContact C-N 3.34Å |
| 442 | E | 74.4 | Confident | 72.8 | Confident | 140 Ų | 140 | 112.4 Ų | 112.4 | 65% | 0.654 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.7 | -25.6 | -177.8 | -69 | 172.3 | -163.4 | 0 | 0 | 113.1 | Q438 | Q438-E442 WeakPolarHBondContact CG-OE1 3.41Å; Q438-E442 PolarHBondContact NE2-OE1 3.05Å; Q438-E442 PolarHBondContact O-N 2.83Å |
| 443 | G | 63.6 | Low | 71.7 | Confident | 55 Ų | 55 | 116.1 Ų | 116.1 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -2.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q439 P445 | Q439-G443 WeakPolarHBondContact O-CA 3.36Å; Q439-G443 PolarHBondContact O-N 3.38Å; G443-P445 WeakPolarHBondContact O-CD 3.18Å |
| 444 | N | 55 | Low | 70.4 | Confident | 121 Ų | 121 | 116.4 Ų | 116.4 | 65% | 0.647 | 64% | 0.643 | S | S | * | * | trans | -106.4 | 88 | 175.4 | -84.2 | -72.4 | 0 | 0 | 0 | 110.9 | Q440 L446 | Q440-N444 PolarHBondContact O-ND2 2.89Å; N444-L446 PolarHBondContact O-N 3.25Å | ||
| 445 | P | 54.1 | Low | 69.1 | Low | 113 Ų | 113 | 119.9 Ų | 119.9 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | trans | -62.8 | 122.3 | 163.6 | 28.1 | -32.7 | 0 | 0 | 0 | 108.6 | G443 | G443-P445 WeakPolarHBondContact O-CD 3.18Š| ||
| 446 | L | 54.1 | Low | 67.9 | Low | 164 Ų | 164 | 121.8 Ų | 121.8 | 86% | 0.859 | 67% | 0.666 | S | S | * | * | trans | -58.4 | 130.5 | 176.2 | -73.6 | 168.2 | 0 | 0 | 0 | 109.7 | N444 N448 | N444-L446 PolarHBondContact O-N 3.25Å; L446-N448 PolarHBondContact O-N 3.13Å; L446-N448 VanDerWaalsContact O-N 3.13Å | ||
| 447 | P | 50.9 | Low | 66.4 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 69% | 0.688 | S | S | * | * | trans | -75.9 | 104.9 | 179 | 29.3 | -33.1 | 0 | 0 | 0 | 110.9 | ||||
| 448 | N | 39.4 | Very low | 64.7 | Low | 235 Ų | 235 | 129.1 Ų | 129.1 | 100% | 1.257 | 71% | 0.706 | S | S | * | * | trans | 76.1 | 0 | 168 | -153.8 | 52.6 | 0 | 0 | 0 | 116.1 | L446 | L446-N448 PolarHBondContact O-N 3.13Å; L446-N448 VanDerWaalsContact O-N 3.13Å |
Retrieved 448 of 448 residues in 63.8 ms
(Link to these results)