| 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 | 34.4 | Very low | 28 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 71% | 0.714 | 72% | 0.721 | S | S | * | * | 0 | 101.5 | 0 | -57.9 | 170.5 | -177.5 | 0 | 0 | 109.6 | S940 E941 | M1-S940 PolarHBondContact N-O 2.85Å; M1-S940 PolarHBondContact N-OG 3.13Å; M1-E941 HydrophobicContact CE-CG 4.07Å; M1-E941 HydrophobicContact CG-CG 4.35Å | |||
| 2 | N | 27 | Very low | 28 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | cis | 49.3 | 167.4 | 0.6 | -69 | -9.2 | 0 | 0 | 0 | 118.6 | S940 | N2-S940 WeakPolarHBondContact CB-OG 3.46Å; N2-S940 PolarHBondContact ND2-OG 2.83Å | ||
| 3 | S | 21.9 | Very low | 28.2 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 52% | 0.517 | 71% | 0.712 | S | S | . | * | trans | 58.6 | 67.1 | 159.1 | 41.1 | 0 | 0 | 0 | 0 | 117.9 | D938 | S3-D938 PolarHBondContact OG-OD2 3.12Š| ||
| 4 | S | 27 | Very low | 28.4 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | trans | -179.4 | 61.8 | 141.8 | 33 | 0 | 0 | 0 | 0 | 109 | ||||
| 5 | E | 25.9 | Very low | 28.5 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | 56.3 | 141.6 | 77 | -62.6 | -165.2 | 109.1 | 0 | 0 | 115.7 | |||||
| 6 | G | 27.8 | Very low | 28.7 | Very low | 72 Ų | 72 | 134.9 Ų | 134.9 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | trans | 68.1 | 59 | 139.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 7 | L | 26.9 | Very low | 29.1 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -171.3 | 154.2 | 137.7 | -102 | 157.2 | 0 | 0 | 0 | 111.7 | ||
| 8 | I | 30.2 | Very low | 29.7 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 54% | 0.544 | 70% | 0.698 | S | S | . | * | trans | 59.5 | 62.4 | 177.5 | -35.6 | -177.8 | 0 | 0 | 0 | 114.9 | A11 | I8-A11 HydrophobicContact CG2-CB 3.45Å; I8-A11 VanDerWaalsContact CG2-CB 3.45Å | ||
| 9 | Q | 29 | Very low | 30.1 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -58.4 | 165 | 139.2 | -69.7 | 170.2 | -22.5 | 0 | 0 | 109.5 | A11 | Q9-A11 PolarHBondContact O-N 3.18Š|
| 10 | H | 28 | Very low | 30.8 | Very low | 208 Ų | 208 | 131.5 Ų | 131.5 | 96% | 0.963 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 70.7 | -6.8 | 179.5 | -82.3 | -83.6 | 0 | 0 | 0 | 120.7 | ||
| 11 | A | 30.2 | Very low | 31.9 | Very low | 62 Ų | 62 | 128.1 Ų | 128.1 | 51% | 0.512 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -119.7 | -12.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | I8 Q9 G13 | I8-A11 HydrophobicContact CG2-CB 3.45Å; I8-A11 VanDerWaalsContact CG2-CB 3.45Å; Q9-A11 PolarHBondContact O-N 3.18Å; A11-G13 PolarHBondContact O-N 3.41Å |
| 12 | R | 27.6 | Very low | 33 | Very low | 187 Ų | 187 | 124.4 Ų | 124.4 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -85.8 | 7.1 | -167.6 | -82.9 | 179.9 | 167.6 | 160.6 | -2.9 | 116.7 | N14 F15 | R12-N14 VanDerWaalsContact C-N 3.29Å; R12-N14 PolarHBondContact O-N 3.12Å; R12-F15 PolarHBondContact O-N 2.91Å |
| 13 | G | 30.9 | Very low | 34.8 | Very low | 60 Ų | 60 | 123.3 Ų | 123.3 | 62% | 0.619 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -56.8 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A11 | A11-G13 PolarHBondContact O-N 3.41Š|
| 14 | N | 30.4 | Very low | 36.8 | Very low | 138 Ų | 138 | 120.4 Ų | 120.4 | 74% | 0.738 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -91 | 0.1 | -172.1 | -60.9 | 17.6 | 0 | 0 | 0 | 114.4 | R12 | R12-N14 VanDerWaalsContact C-N 3.29Å; R12-N14 PolarHBondContact O-N 3.12Å |
| 15 | F | 30.1 | Very low | 38.8 | Very low | 148 Ų | 148 | 116.3 Ų | 116.3 | 65% | 0.649 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -16.4 | -169.3 | -114.8 | -79.4 | 0 | 0 | 0 | 115.1 | R12 S18 | R12-F15 PolarHBondContact O-N 2.91Å; F15-S18 WeakPolarHBondContact CA-OG 3.43Å; F15-S18 PolarHBondContact O-OG 1.98Å; F15-S18 VanDerWaalsContact O-OG 3.09Å |
| 16 | R | 31.5 | Very low | 41.1 | Very low | 211 Ų | 211 | 114.4 Ų | 114.4 | 80% | 0.796 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -82.1 | -35.3 | 177.6 | -113.4 | -179.3 | 176 | 177.4 | -2.1 | 112.3 | S18 F19 L20 | R16-S18 VanDerWaalsContact C-N 3.33Å; R16-F19 PolarHBondContact O-N 2.86Å; R16-L20 PolarHBondContact O-N 3.18Å |
| 17 | E | 36.3 | Very low | 43.5 | Very low | 156 Ų | 156 | 113.2 Ų | 113.2 | 73% | 0.729 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.2 | -33.3 | 174.9 | -60.8 | -177.4 | 148.1 | 0 | 0 | 111.7 | S21 | E17-S21 PolarHBondContact O-N 3.5Å; E17-S21 PolarHBondContact O-OG 3.25Å |
| 18 | S | 39.6 | Very low | 45.9 | Very low | 57 Ų | 57 | 106.3 Ų | 106.3 | 40% | 0.399 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -77.5 | -17 | 178.7 | 65.5 | 0 | 0 | 0 | 0 | 115.1 | F15 R16 S21 | F15-S18 WeakPolarHBondContact CA-OG 3.43Å; F15-S18 PolarHBondContact O-OG 1.98Å; F15-S18 VanDerWaalsContact O-OG 3.09Å; R16-S18 VanDerWaalsContact C-N 3.33Å; S18-S21 PolarHBondContact O-OG 3.23Å |
| 19 | F | 37.8 | Very low | 48.3 | Very low | 143 Ų | 143 | 102.6 Ų | 102.6 | 63% | 0.627 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -91 | -38.2 | 177.2 | -152.4 | -86.6 | 0 | 0 | 0 | 111.3 | R16 S21 S22 E23 | R16-F19 PolarHBondContact O-N 2.86Å; F19-S21 VanDerWaalsContact C-N 3.31Å; F19-S21 PolarHBondContact O-N 3.27Å; F19-S22 WeakPolarHBondContact O-CB 3.13Å; F19-S22 PolarHBondContact O-N 3.22Å; F19-S22 VanDerWaalsContact O-N 3.15Å; F19-E23 PolarHBondContact O-N 2.9Å |
| 20 | L | 43.8 | Very low | 50.9 | Low | 114 Ų | 114 | 99.5 Ų | 99.5 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.6 | -29.4 | 174.8 | -77.5 | 165.1 | 0 | 0 | 0 | 113 | R16 L24 | R16-L20 PolarHBondContact O-N 3.18Å; L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 PolarHBondContact O-N 2.95Å |
| 21 | S | 52.8 | Low | 53.5 | Low | 62 Ų | 62 | 89.9 Ų | 89.9 | 43% | 0.434 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.3 | -31.8 | 170.8 | 59.1 | 0 | 0 | 0 | 0 | 113 | E17 S18 F19 G25 | E17-S21 PolarHBondContact O-N 3.5Å; E17-S21 PolarHBondContact O-OG 3.25Å; S18-S21 PolarHBondContact O-OG 3.23Å; F19-S21 VanDerWaalsContact C-N 3.31Å; F19-S21 PolarHBondContact O-N 3.27Å; S21-G25 PolarHBondContact O-N 3.25Å |
| 22 | S | 58.8 | Low | 56.1 | Low | 66 Ų | 66 | 90.9 Ų | 90.9 | 46% | 0.462 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.5 | -52.3 | 178.9 | -167 | 0 | 0 | 0 | 0 | 111.9 | F19 G25 E26 | F19-S22 WeakPolarHBondContact O-CB 3.13Å; F19-S22 PolarHBondContact O-N 3.22Å; F19-S22 VanDerWaalsContact O-N 3.15Å; S22-G25 PolarHBondContact O-N 2.94Å; S22-E26 PolarHBondContact O-N 3.16Å |
| 23 | E | 64 | Low | 58.7 | Low | 98 Ų | 98 | 89.1 Ų | 89.1 | 46% | 0.458 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.5 | -35.9 | -176.8 | -170.1 | 176.4 | -178.9 | 0 | 0 | 112.1 | F19 K27 | F19-E23 PolarHBondContact O-N 2.9Å; E23-K27 PolarHBondContact O-N 3.12Å |
| 24 | L | 64.3 | Low | 61.4 | Low | 12 Ų | 12 | 89 Ų | 89 | 6% | 0.063 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.1 | -39 | 172.9 | -160.8 | 76.7 | 0 | 0 | 0 | 111.5 | L20 K27 I28 L80 Y83 I89 | L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 PolarHBondContact O-N 2.95Å; L24-K27 PolarHBondContact O-N 3.4Å; L24-I28 HydrophobicContact CD2-CD1 4.27Å; L24-I28 HydrophobicContact CG-CD1 4.06Å; L24-I28 WeakPolarHBondContact O-CB 3.35Å; L24-I28 VanDerWaalsContact O-CG1 3.3Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 3Å; L24-L80 HydrophobicContact CD1-CD2 3.59Å; L24-L80 HydrophobicContact CG-CD2 4.19Å; L24-Y83 HydrophobicContact CD1-CD1 4.31Å; L24-Y83 HydrophobicContact CD1-CD2 3.95Å; L24-Y83 HydrophobicContact CD1-CG 3.8Å; L24-I89 HydrophobicContact CD2-CB 4.34Å; L24-I89 HydrophobicContact CD2-CD1 3.6Å; L24-I89 HydrophobicContact CD2-CG2 4.34Å |
| 25 | G | 68.6 | Low | 63.9 | Low | 31 Ų | 31 | 83.1 Ų | 83.1 | 32% | 0.32 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S21 S22 I28 G29 | S21-G25 PolarHBondContact O-N 3.25Å; S22-G25 PolarHBondContact O-N 2.94Å; G25-I28 PolarHBondContact O-N 2.83Å; G25-G29 PolarHBondContact O-N 3.28Å |
| 26 | E | 75.4 | Confident | 66.4 | Low | 137 Ų | 137 | 81 Ų | 81 | 64% | 0.64 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 174.1 | -73.1 | -170.7 | 160.7 | 0 | 0 | 112.2 | S22 G29 L30 | S22-E26 PolarHBondContact O-N 3.16Å; E26-G29 PolarHBondContact O-N 3.39Å; E26-L30 WeakPolarHBondContact O-CG 3.39Å; E26-L30 PolarHBondContact O-N 3.11Å |
| 27 | K | 76.3 | Confident | 68.8 | Low | 47 Ų | 47 | 72.1 Ų | 72.1 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.5 | -74.4 | -167.8 | 179.3 | -170.9 | 0 | 112.7 | E23 L24 G29 L30 V31 E79 L80 | E23-K27 PolarHBondContact O-N 3.12Å; L24-K27 PolarHBondContact O-N 3.4Å; K27-G29 VanDerWaalsContact C-N 3.31Å; K27-G29 PolarHBondContact O-N 2.64Å; K27-L30 PolarHBondContact O-N 3.38Å; K27-V31 PolarHBondContact O-N 2.96Å; K27-E79 IonicContact NZ-OE2 2.8Å; K27-E79 PolarHBondContact NZ-OE2 3.03Å; K27-L80 HydrophobicContact CB-CD1 4.25Å; K27-L80 HydrophobicContact CB-CD2 3.67Å; K27-L80 HydrophobicContact CB-CG 4.13Å |
| 28 | I | 78.8 | Confident | 70.9 | Confident | 10 Ų | 10 | 68 Ų | 68 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 174.2 | -72 | 169.5 | 0 | 0 | 0 | 110.2 | L24 G25 V31 R32 L80 E92 L93 L96 | L24-I28 HydrophobicContact CD2-CD1 4.27Å; L24-I28 HydrophobicContact CG-CD1 4.06Å; L24-I28 WeakPolarHBondContact O-CB 3.35Å; L24-I28 VanDerWaalsContact O-CG1 3.3Å; L24-I28 WeakPolarHBondContact O-CG1 3.45Å; L24-I28 PolarHBondContact O-N 3Å; G25-I28 PolarHBondContact O-N 2.83Å; I28-V31 PolarHBondContact O-N 3.36Å; I28-R32 VanDerWaalsContact O-CB 3.23Å; I28-R32 WeakPolarHBondContact O-CB 3.49Å; I28-R32 PolarHBondContact O-N 3.03Å; I28-L80 HydrophobicContact CG1-CD1 4.05Å; I28-L80 HydrophobicContact CG1-CD2 3.88Å; I28-E92 HydrophobicContact CD1-CB 4.42Å; I28-L93 HydrophobicContact CD1-CG 4.32Å; I28-L96 HydrophobicContact CB-CD2 4.46Å; I28-L96 HydrophobicContact CG1-CD2 4.2Å; I28-L96 HydrophobicContact CG2-CD2 4.34Å |
| 29 | G | 80.2 | Confident | 72.8 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G25 E26 K27 V31 R32 E33 | G25-G29 PolarHBondContact O-N 3.28Å; E26-G29 PolarHBondContact O-N 3.39Å; K27-G29 VanDerWaalsContact C-N 3.31Å; K27-G29 PolarHBondContact O-N 2.64Å; G29-V31 PolarHBondContact O-N 3.07Å; G29-R32 PolarHBondContact O-N 3.28Å; G29-E33 WeakPolarHBondContact O-CB 3.47Å; G29-E33 PolarHBondContact O-N 3.26Å |
| 30 | L | 82.8 | Confident | 74.9 | Confident | 115 Ų | 115 | 60.1 Ų | 60.1 | 60% | 0.602 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.2 | -46.1 | 178.8 | -80.3 | 164.1 | 0 | 0 | 0 | 112.9 | E26 K27 W34 | E26-L30 WeakPolarHBondContact O-CG 3.39Å; E26-L30 PolarHBondContact O-N 3.11Å; K27-L30 PolarHBondContact O-N 3.38Å; L30-W34 VanDerWaalsContact O-CB 3.24Å; L30-W34 WeakPolarHBondContact O-CB 3.47Å; L30-W34 PolarHBondContact O-N 3.42Å |
| 31 | V | 83.6 | Confident | 76.5 | Confident | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 178.6 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | K27 I28 G29 W34 I35 V76 F77 L80 L96 V100 | K27-V31 PolarHBondContact O-N 2.96Å; I28-V31 PolarHBondContact O-N 3.36Å; G29-V31 PolarHBondContact O-N 3.07Å; V31-W34 PolarHBondContact O-N 3.47Å; V31-I35 HydrophobicContact CG1-CD1 3.83Å; V31-I35 HydrophobicContact CG1-CG1 4.48Å; V31-I35 WeakPolarHBondContact O-CG1 3.45Å; V31-I35 PolarHBondContact O-N 3.06Å; V31-V76 HydrophobicContact CG2-CB 4Å; V31-V76 HydrophobicContact CG2-CG1 3.68Å; V31-F77 HydrophobicContact CG1-CB 4.25Å; V31-L80 HydrophobicContact CG2-CD1 3.99Å; V31-L96 HydrophobicContact CB-CD1 4.05Å; V31-L96 HydrophobicContact CB-CD2 4.26Å; V31-L96 HydrophobicContact CG1-CD1 3.81Å; V31-L96 HydrophobicContact CG1-CD2 4.38Å; V31-L96 HydrophobicContact CG1-CG 4.38Å; V31-V100 HydrophobicContact CG1-CG2 4.27Å |
| 32 | R | 84.7 | Confident | 77.7 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 32% | 0.317 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.1 | -50.3 | 175.9 | 171.4 | 164.1 | -103.7 | 170.8 | -0.9 | 111.8 | I28 G29 I36 E95 L96 M99 | I28-R32 VanDerWaalsContact O-CB 3.23Å; I28-R32 WeakPolarHBondContact O-CB 3.49Å; I28-R32 PolarHBondContact O-N 3.03Å; G29-R32 PolarHBondContact O-N 3.28Å; R32-I36 HydrophobicContact CG-CD1 3.82Å; R32-I36 WeakPolarHBondContact O-CB 3.46Å; R32-I36 VanDerWaalsContact O-CG1 3.28Å; R32-I36 WeakPolarHBondContact O-CG1 3.32Å; R32-I36 PolarHBondContact O-N 3.29Å; R32-E95 IonicContact CZ-OE2 3.32Å; R32-E95 IonicContact NH1-OE2 3.94Å; R32-E95 PolarHBondContact NH1-OE2 3.12Å; R32-E95 IonicContact NH2-OE2 2.73Å; R32-E95 PolarHBondContact NH2-OE2 3.11Å; R32-L96 HydrophobicContact CB-CD1 4.3Å; R32-M99 HydrophobicContact CB-CE 3.88Å; R32-M99 HydrophobicContact CG-CE 3.84Å |
| 33 | E | 82.5 | Confident | 78.7 | Confident | 150 Ų | 150 | 58.2 Ų | 58.2 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.7 | -36.2 | 177 | -72.3 | -156.2 | 160.2 | 0 | 0 | 112.5 | G29 G37 | G29-E33 WeakPolarHBondContact O-CB 3.47Å; G29-E33 PolarHBondContact O-N 3.26Å; E33-G37 VanDerWaalsContact O-CA 3.24Å; E33-G37 WeakPolarHBondContact O-CA 3.4Å; E33-G37 PolarHBondContact O-N 2.95Å |
| 34 | W | 87 | Confident | 79.1 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 177.3 | -168.9 | 94.4 | 0 | 0 | 0 | 111.6 | L30 V31 T38 G39 K69 C70 A73 F103 | L30-W34 VanDerWaalsContact O-CB 3.24Å; L30-W34 WeakPolarHBondContact O-CB 3.47Å; L30-W34 PolarHBondContact O-N 3.42Å; V31-W34 PolarHBondContact O-N 3.47Å; W34-T38 VanDerWaalsContact CD1-OG1 3.24Å; W34-T38 PolarHBondContact NE1-OG1 2.79Å; W34-T38 PolarHBondContact O-N 2.88Å; W34-G39 PolarHBondContact O-N 3.04Å; W34-K69 HydrophobicContact CZ2-CB 4.44Å; W34-C70 HydrophobicContact CH2-CB 4.46Å; W34-A73 HydrophobicContact CD2-CB 3.65Å; W34-A73 HydrophobicContact CE3-CB 3.46Å; W34-A73 VanDerWaalsContact CE3-CB 3.46Å; W34-A73 HydrophobicContact CG-CB 4.31Å; W34-A73 HydrophobicContact CH2-CB 4.06Å; W34-A73 HydrophobicContact CZ2-CB 4.22Å; W34-A73 HydrophobicContact CZ3-CB 3.67Å; W34-F103 HydrophobicContact CH2-CE1 4.42Å; W34-F103 HydrophobicContact CH2-CZ 4.22Å; W34-F103 AromaticContact CZ3-CE1 3.78Å; W34-F103 HydrophobicContact CZ3-CE1 3.78Å; W34-F103 AromaticContact CZ3-CZ 3.77Å; W34-F103 HydrophobicContact CZ3-CZ 3.77Å |
| 35 | I | 82.7 | Confident | 79.2 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -65.6 | -50.2 | 178.2 | -68.9 | 169.8 | 0 | 0 | 0 | 110.8 | V31 G37 T40 V100 F103 | V31-I35 HydrophobicContact CG1-CD1 3.83Å; V31-I35 HydrophobicContact CG1-CG1 4.48Å; V31-I35 WeakPolarHBondContact O-CG1 3.45Å; V31-I35 PolarHBondContact O-N 3.06Å; I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 3.13Å; I35-T40 VanDerWaalsContact O-CG2 3.26Å; I35-T40 WeakPolarHBondContact O-CG2 2.89Å; I35-T40 PolarHBondContact O-N 3.31Å; I35-T40 VanDerWaalsContact O-N 3.11Å; I35-T40 PolarHBondContact O-OG1 2.97Å; I35-T40 VanDerWaalsContact O-OG1 3.06Å; I35-V100 HydrophobicContact CD1-CB 4.46Å; I35-V100 HydrophobicContact CD1-CG2 3.55Å; I35-F103 HydrophobicContact CG2-CB 3.98Å; I35-F103 HydrophobicContact CG2-CD2 4.2Å; I35-F103 HydrophobicContact CG2-CG 4.15Å |
| 36 | I | 82.1 | Confident | 78.8 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 54% | 0.538 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -70.3 | -28.9 | -177.8 | -64.1 | 172 | 0 | 0 | 0 | 111.7 | R32 T40 M99 | R32-I36 HydrophobicContact CG-CD1 3.82Å; R32-I36 WeakPolarHBondContact O-CB 3.46Å; R32-I36 VanDerWaalsContact O-CG1 3.28Å; R32-I36 WeakPolarHBondContact O-CG1 3.32Å; R32-I36 PolarHBondContact O-N 3.29Å; I36-T40 PolarHBondContact O-OG1 3.24Å; I36-M99 HydrophobicContact CD1-SD 4.08Å; I36-M99 HydrophobicContact CG1-SD 4.48Å |
| 37 | G | 83.9 | Confident | 78.2 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -95.9 | -81.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | E33 I35 K41 | E33-G37 VanDerWaalsContact O-CA 3.24Å; E33-G37 WeakPolarHBondContact O-CA 3.4Å; E33-G37 PolarHBondContact O-N 2.95Å; I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 3.13Å; G37-K41 WeakPolarHBondContact O-CB 3.42Å; G37-K41 WeakPolarHBondContact O-CD 3.22Å; G37-K41 WeakPolarHBondContact O-CG 3.34Å |
| 38 | T | 79.9 | Confident | 78.1 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -79.4 | -40.2 | -170.9 | -3 | 0 | 0 | 0 | 0 | 113.4 | W34 L42 | W34-T38 VanDerWaalsContact CD1-OG1 3.24Å; W34-T38 PolarHBondContact NE1-OG1 2.79Å; W34-T38 PolarHBondContact O-N 2.88Å; T38-L42 HydrophobicContact CG2-CD1 4.44Å; T38-L42 WeakPolarHBondContact O-CB 3.36Å; T38-L42 VanDerWaalsContact O-CG 3.27Å; T38-L42 WeakPolarHBondContact O-CG 3.43Å; T38-L42 PolarHBondContact O-N 3.38Å |
| 39 | G | 79.7 | Confident | 78.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -63.7 | -57.7 | -175 | 0 | 0 | 0 | 0 | 0 | 111.7 | W34 L42 L43 F103 | W34-G39 PolarHBondContact O-N 3.04Å; G39-L42 PolarHBondContact O-N 3.43Å; G39-L43 VanDerWaalsContact O-CB 3.24Å; G39-L43 WeakPolarHBondContact O-CB 3.44Å; G39-L43 PolarHBondContact O-N 3.36Å; G39-F103 VanDerWaalsContact C-CE2 3.44Å |
| 40 | T | 81.4 | Confident | 78.7 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 20% | 0.202 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.8 | -51.3 | 172.8 | 43.5 | 0 | 0 | 0 | 0 | 112.1 | I35 I36 L42 L43 D44 | I35-T40 VanDerWaalsContact O-CG2 3.26Å; I35-T40 WeakPolarHBondContact O-CG2 2.89Å; I35-T40 PolarHBondContact O-N 3.31Å; I35-T40 VanDerWaalsContact O-N 3.11Å; I35-T40 PolarHBondContact O-OG1 2.97Å; I35-T40 VanDerWaalsContact O-OG1 3.06Å; I36-T40 PolarHBondContact O-OG1 3.24Å; T40-L42 VanDerWaalsContact C-N 3.31Å; T40-L42 PolarHBondContact O-N 3.16Å; T40-L43 WeakPolarHBondContact O-CB 3.48Å; T40-L43 PolarHBondContact O-N 3Å; T40-L43 VanDerWaalsContact O-N 3.15Å; T40-D44 WeakPolarHBondContact O-CB 3.4Å; T40-D44 PolarHBondContact O-N 2.77Å |
| 41 | K | 77.6 | Confident | 78.7 | Confident | 150 Ų | 150 | 61.6 Ų | 61.6 | 65% | 0.652 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.7 | -41 | 179.9 | -74.1 | 176.1 | -168 | 169.5 | 0 | 112.8 | G37 S45 | G37-K41 WeakPolarHBondContact O-CB 3.42Å; G37-K41 WeakPolarHBondContact O-CD 3.22Å; G37-K41 WeakPolarHBondContact O-CG 3.34Å; K41-S45 WeakPolarHBondContact O-CB 3.41Å; K41-S45 PolarHBondContact O-N 2.97Å; K41-S45 PolarHBondContact O-OG 3.17Å |
| 42 | L | 77.3 | Confident | 78.8 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.3 | -47.4 | 176.2 | -75.5 | 166.8 | 0 | 0 | 0 | 111.5 | T38 G39 T40 D44 S45 Q46 F66 K69 | T38-L42 HydrophobicContact CG2-CD1 4.44Å; T38-L42 WeakPolarHBondContact O-CB 3.36Å; T38-L42 VanDerWaalsContact O-CG 3.27Å; T38-L42 WeakPolarHBondContact O-CG 3.43Å; T38-L42 PolarHBondContact O-N 3.38Å; G39-L42 PolarHBondContact O-N 3.43Å; T40-L42 VanDerWaalsContact C-N 3.31Å; T40-L42 PolarHBondContact O-N 3.16Å; L42-D44 VanDerWaalsContact C-N 3.32Å; L42-D44 PolarHBondContact O-N 2.79Å; L42-S45 WeakPolarHBondContact CA-OG 3.29Å; L42-S45 PolarHBondContact O-N 3.26Å; L42-S45 PolarHBondContact O-OG 2.97Å; L42-Q46 PolarHBondContact O-N 3.09Å; L42-F66 HydrophobicContact CB-CD2 3.61Å; L42-F66 HydrophobicContact CB-CE2 3.32Å; L42-F66 HydrophobicContact CB-CZ 4.03Å; L42-F66 HydrophobicContact CD1-CD2 3.97Å; L42-F66 HydrophobicContact CD1-CE2 4.01Å; L42-F66 HydrophobicContact CG-CD2 4.33Å; L42-F66 HydrophobicContact CG-CE2 4.29Å; L42-K69 HydrophobicContact CD1-CD 4.37Å |
| 43 | L | 79.9 | Confident | 79 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.1 | -45.3 | 178.1 | -173.6 | 72.4 | 0 | 0 | 0 | 112.4 | G39 T40 F66 F103 K106 L107 R110 | G39-L43 VanDerWaalsContact O-CB 3.24Å; G39-L43 WeakPolarHBondContact O-CB 3.44Å; G39-L43 PolarHBondContact O-N 3.36Å; T40-L43 WeakPolarHBondContact O-CB 3.48Å; T40-L43 PolarHBondContact O-N 3Å; T40-L43 VanDerWaalsContact O-N 3.15Å; L43-F66 HydrophobicContact CB-CE1 4.12Å; L43-F66 HydrophobicContact CB-CZ 3.85Å; L43-F66 HydrophobicContact CD1-CE1 3.74Å; L43-F66 HydrophobicContact CD1-CZ 4.13Å; L43-F103 HydrophobicContact CB-CE2 4.44Å; L43-F103 HydrophobicContact CD2-CD2 4.25Å; L43-F103 HydrophobicContact CD2-CE2 4.02Å; L43-K106 HydrophobicContact CD2-CB 3.73Å; L43-K106 HydrophobicContact CD2-CD 4.08Å; L43-L107 HydrophobicContact CD1-CD1 4.27Å; L43-R110 HydrophobicContact CD1-CB 4.39Å; L43-R110 PolarHBondContact O-NH1 2.88Å |
| 44 | D | 73.7 | Confident | 79.1 | Confident | 95 Ų | 95 | 60 Ų | 60 | 51% | 0.508 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -77.4 | -36.6 | 179.9 | -60.8 | -25.4 | 0 | 0 | 0 | 111.9 | T40 L42 Q46 T47 | T40-D44 WeakPolarHBondContact O-CB 3.4Å; T40-D44 PolarHBondContact O-N 2.77Å; L42-D44 VanDerWaalsContact C-N 3.32Å; L42-D44 PolarHBondContact O-N 2.79Å; D44-Q46 VanDerWaalsContact C-N 3.35Å; D44-Q46 PolarHBondContact O-N 3.45Å; D44-T47 WeakPolarHBondContact O-CB 3.47Å; D44-T47 WeakPolarHBondContact O-CG2 3.45Å; D44-T47 PolarHBondContact O-N 2.87Å; D44-T47 PolarHBondContact O-OG1 3.43Å |
| 45 | S | 66 | Low | 79 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.6 | -28.3 | -178.7 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | K41 L42 T47 | K41-S45 WeakPolarHBondContact O-CB 3.41Å; K41-S45 PolarHBondContact O-N 2.97Å; K41-S45 PolarHBondContact O-OG 3.17Å; L42-S45 WeakPolarHBondContact CA-OG 3.29Å; L42-S45 PolarHBondContact O-N 3.26Å; L42-S45 PolarHBondContact O-OG 2.97Å; S45-T47 VanDerWaalsContact C-N 3.27Å; S45-T47 PolarHBondContact O-N 3.45Å |
| 46 | Q | 59.9 | Low | 79.2 | Confident | 33 Ų | 33 | 59.7 Ų | 59.7 | 15% | 0.154 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 25 | -180 | -65.6 | -171.3 | -16.3 | 0 | 0 | 112.7 | L42 D44 S48 S62 R110 | L42-Q46 PolarHBondContact O-N 3.09Å; D44-Q46 VanDerWaalsContact C-N 3.35Å; D44-Q46 PolarHBondContact O-N 3.45Å; Q46-S48 PolarHBondContact O-N 2.86Å; Q46-S48 PolarHBondContact O-OG 3.21Å; Q46-S62 PolarHBondContact NE2-O 3.47Å; Q46-R110 VanDerWaalsContact O-CZ 3.23Å; Q46-R110 PolarHBondContact O-NH1 3.3Å; Q46-R110 PolarHBondContact O-NH2 3.37Å |
| 47 | T | 62.4 | Low | 79.3 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | trans | -70.4 | 14.4 | -176.6 | 38.1 | 0 | 0 | 0 | 0 | 115.1 | D44 S45 | D44-T47 WeakPolarHBondContact O-CB 3.47Å; D44-T47 WeakPolarHBondContact O-CG2 3.45Å; D44-T47 PolarHBondContact O-N 2.87Å; D44-T47 PolarHBondContact O-OG1 3.43Å; S45-T47 VanDerWaalsContact C-N 3.27Å; S45-T47 PolarHBondContact O-N 3.45Å | ||
| 48 | S | 74.3 | Confident | 79.3 | Confident | 57 Ų | 57 | 58.5 Ų | 58.5 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | trans | -59.6 | 138.4 | 171.4 | 52 | 0 | 0 | 0 | 0 | 112.8 | Q46 I59 | Q46-S48 PolarHBondContact O-N 2.86Å; Q46-S48 PolarHBondContact O-OG 3.21Å; S48-I59 WeakPolarHBondContact OG-CD1 3.35Å | ||
| 49 | K | 83.2 | Confident | 79.6 | Confident | 57 Ų | 57 | 56 Ų | 56 | 25% | 0.248 | 29% | 0.288 | C | S | . | . | trans | -106.5 | 137.9 | 171.2 | -44.6 | 173.4 | -163.4 | 162.5 | 0 | 108.5 | Y51 F113 D185 Y188 | K49-Y51 WeakPolarHBondContact O-CE2 3.39Å; K49-F113 HydrophobicContact CB-CZ 4.29Å; K49-F113 HydrophobicContact CG-CZ 4.16Å; K49-D185 WeakPolarHBondContact CE-OD2 3.36Å; K49-D185 IonicContact NZ-OD1 3.38Å; K49-D185 PolarHBondContact NZ-OD1 2.9Å; K49-D185 IonicContact NZ-OD2 2.72Å; K49-D185 PolarHBondContact NZ-OD2 2.67Å; K49-Y188 HydrophobicContact CB-CD2 3.96Å; K49-Y188 HydrophobicContact CB-CE1 4.26Å; K49-Y188 HydrophobicContact CB-CE2 3.65Å; K49-Y188 HydrophobicContact CB-CG 4.39Å; K49-Y188 HydrophobicContact CD-CD1 3.8Å; K49-Y188 HydrophobicContact CD-CD2 3.7Å; K49-Y188 HydrophobicContact CD-CE1 4.33Å; K49-Y188 HydrophobicContact CD-CE2 4.24Å; K49-Y188 HydrophobicContact CD-CG 3.45Å; K49-Y188 VanDerWaalsContact CD-CG 3.45Å; K49-Y188 HydrophobicContact CG-CD2 4.45Å; K49-Y188 HydrophobicContact CG-CG 4.44Å | ||
| 50 | P | 88.1 | Confident | 80 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | trans | -82.4 | 148.3 | 175.5 | 29.7 | -31 | 0 | 0 | 0 | 112.5 | E55 A56 I59 C117 F121 Y188 | P50-E55 HydrophobicContact CB-CB 3.83Å; P50-A56 HydrophobicContact CB-CB 3.73Å; P50-A56 HydrophobicContact CG-CB 3.87Å; P50-I59 HydrophobicContact CB-CD1 3.95Å; P50-I59 HydrophobicContact CG-CD1 4.3Å; P50-C117 HydrophobicContact CG-CB 3.59Å; P50-F121 HydrophobicContact CB-CD2 4.37Å; P50-F121 HydrophobicContact CB-CE2 4.17Å; P50-F121 HydrophobicContact CG-CD2 4.2Å; P50-F121 HydrophobicContact CG-CE2 3.97Å; P50-F121 WeakPolarHBondContact O-CE2 3.13Å; P50-F121 WeakPolarHBondContact O-CZ 3.16Å; P50-Y188 WeakPolarHBondContact O-CE2 3.42Å; P50-Y188 PolarHBondContact O-OH 2.73Å; P50-Y188 VanDerWaalsContact O-OH 3.06Å | ||
| 51 | Y | 83.8 | Confident | 80.1 | Confident | 118 Ų | 118 | 62.7 Ų | 62.7 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -115.3 | 3 | 174 | -60 | -85.7 | 0 | 0 | 0 | 113.2 | K49 E55 F121 Y188 Q191 | K49-Y51 WeakPolarHBondContact O-CE2 3.39Å; Y51-E55 PolarHBondContact N-OE2 2.89Å; Y51-F121 VanDerWaalsContact C-CE1 3.49Å; Y51-F121 WeakPolarHBondContact O-CE1 3.38Å; Y51-Y188 HydrophobicContact CD1-CE2 4.35Å; Y51-Y188 AromaticContact CE1-CD2 3.83Å; Y51-Y188 HydrophobicContact CE1-CD2 3.83Å; Y51-Y188 HydrophobicContact CE1-CE2 4.04Å; Y51-Q191 VanDerWaalsContact CE1-OE1 3.31Å |
| 52 | N | 85.9 | Confident | 80.4 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -160.3 | 171.2 | 177.2 | 53.9 | 75 | 0 | 0 | 0 | 110.9 | E54 E55 A56 | N52-E54 PolarHBondContact O-N 3.39Å; N52-E54 PolarHBondContact OD1-N 3.09Å; N52-E55 PolarHBondContact ND2-OE1 3.3Å; N52-E55 PolarHBondContact O-N 3.11Å; N52-E55 WeakPolarHBondContact OD1-CG 3.39Å; N52-E55 PolarHBondContact OD1-N 2.87Å; N52-A56 WeakPolarHBondContact O-CB 3.43Å; N52-A56 PolarHBondContact O-N 3.24Å |
| 53 | F | 87.2 | Confident | 80.8 | Confident | 44 Ų | 44 | 55.4 Ų | 55.4 | 19% | 0.193 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -37.5 | -177.3 | 179.2 | -120.9 | 0 | 0 | 0 | 113.6 | A56 C57 Y118 F121 R122 E125 | F53-A56 PolarHBondContact O-N 3.26Å; F53-C57 WeakPolarHBondContact O-CB 3.45Å; F53-C57 PolarHBondContact O-N 2.99Å; F53-Y118 HydrophobicContact CD2-CE2 4.39Å; F53-Y118 HydrophobicContact CE2-CD2 4.02Å; F53-Y118 AromaticContact CE2-CE2 3.46Å; F53-Y118 HydrophobicContact CE2-CE2 3.46Å; F53-Y118 VanDerWaalsContact CE2-CE2 3.46Å; F53-Y118 AromaticContact CE2-CZ 3.74Å; F53-Y118 HydrophobicContact CZ-CE2 4.01Å; F53-F121 HydrophobicContact CB-CB 4.09Å; F53-F121 HydrophobicContact CD2-CB 4.49Å; F53-R122 HydrophobicContact CD2-CB 3.92Å; F53-R122 HydrophobicContact CE2-CB 3.66Å; F53-R122 HydrophobicContact CE2-CG 4.08Å; F53-R122 HydrophobicContact CZ-CB 4.48Å; F53-R122 HydrophobicContact CZ-CG 4.44Å; F53-E125 WeakPolarHBondContact CD1-OE2 3.25Å; F53-E125 WeakPolarHBondContact CE1-OE2 3.45Å |
| 54 | E | 85.6 | Confident | 81 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 48% | 0.477 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 179 | -179.9 | 54.4 | -146.2 | 0 | 0 | 111.3 | N52 C57 Q58 | N52-E54 PolarHBondContact O-N 3.39Å; N52-E54 PolarHBondContact OD1-N 3.09Å; E54-C57 WeakPolarHBondContact O-CB 3.33Å; E54-C57 PolarHBondContact O-N 3.27Å; E54-Q58 WeakPolarHBondContact O-CG 3.35Å; E54-Q58 PolarHBondContact O-N 3.34Å; E54-Q58 PolarHBondContact OE1-NE2 2.98Å |
| 55 | E | 85.5 | Confident | 81.5 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 171.2 | -76.8 | 169.7 | -153 | 0 | 0 | 112.3 | P50 Y51 N52 C57 Q58 I59 | P50-E55 HydrophobicContact CB-CB 3.83Å; Y51-E55 PolarHBondContact N-OE2 2.89Å; N52-E55 PolarHBondContact ND2-OE1 3.3Å; N52-E55 PolarHBondContact O-N 3.11Å; N52-E55 WeakPolarHBondContact OD1-CG 3.39Å; N52-E55 PolarHBondContact OD1-N 2.87Å; E55-C57 VanDerWaalsContact C-N 3.28Å; E55-C57 PolarHBondContact O-N 2.72Å; E55-Q58 PolarHBondContact O-N 3.21Å; E55-I59 WeakPolarHBondContact O-CB 3.41Å; E55-I59 WeakPolarHBondContact O-CG1 3.41Å; E55-I59 PolarHBondContact O-N 3.03Å |
| 56 | A | 86.5 | Confident | 82.4 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | P50 N52 F53 R60 F121 | P50-A56 HydrophobicContact CB-CB 3.73Å; P50-A56 HydrophobicContact CG-CB 3.87Å; N52-A56 WeakPolarHBondContact O-CB 3.43Å; N52-A56 PolarHBondContact O-N 3.24Å; F53-A56 PolarHBondContact O-N 3.26Å; A56-R60 WeakPolarHBondContact O-CB 3.5Å; A56-R60 PolarHBondContact O-N 3.09Å; A56-F121 HydrophobicContact CB-CB 4.37Å; A56-F121 HydrophobicContact CB-CD2 4.09Å |
| 57 | C | 83.8 | Confident | 83.5 | Confident | 18 Ų | 18 | 57.4 Ų | 57.4 | 12% | 0.122 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 174.2 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | F53 E54 E55 K61 Y118 | F53-C57 WeakPolarHBondContact O-CB 3.45Å; F53-C57 PolarHBondContact O-N 2.99Å; E54-C57 WeakPolarHBondContact O-CB 3.33Å; E54-C57 PolarHBondContact O-N 3.27Å; E55-C57 VanDerWaalsContact C-N 3.28Å; E55-C57 PolarHBondContact O-N 2.72Å; C57-K61 WeakPolarHBondContact O-CD 3.24Å; C57-K61 VanDerWaalsContact O-CG 3.24Å; C57-K61 WeakPolarHBondContact O-CG 3.48Å; C57-K61 PolarHBondContact O-N 3.4Å; C57-K61 VanDerWaalsContact SG-CE 3.51Å; C57-K61 PolarHBondContact SG-NZ 2.87Å; C57-Y118 HydrophobicContact CB-CE2 4.22Å |
| 58 | Q | 84.4 | Confident | 84.5 | Confident | 86 Ų | 86 | 58.5 Ų | 58.5 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.4 | -46.3 | 175.8 | -71.8 | 176 | 27.9 | 0 | 0 | 112.4 | E54 E55 R60 K61 S62 | E54-Q58 WeakPolarHBondContact O-CG 3.35Å; E54-Q58 PolarHBondContact O-N 3.34Å; E54-Q58 PolarHBondContact OE1-NE2 2.98Å; E55-Q58 PolarHBondContact O-N 3.21Å; Q58-R60 VanDerWaalsContact C-N 3.34Å; Q58-R60 PolarHBondContact O-N 3.15Å; Q58-K61 PolarHBondContact O-N 3.02Å; Q58-S62 PolarHBondContact O-N 3.39Å |
| 59 | I | 85.8 | Confident | 84.8 | Confident | 18 Ų | 18 | 60.8 Ų | 60.8 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 177.2 | -68.3 | 171.8 | 0 | 0 | 0 | 109.8 | S48 P50 E55 S62 H63 V114 | S48-I59 WeakPolarHBondContact OG-CD1 3.35Å; P50-I59 HydrophobicContact CB-CD1 3.95Å; P50-I59 HydrophobicContact CG-CD1 4.3Å; E55-I59 WeakPolarHBondContact O-CB 3.41Å; E55-I59 WeakPolarHBondContact O-CG1 3.41Å; E55-I59 PolarHBondContact O-N 3.03Å; I59-S62 PolarHBondContact O-N 2.99Å; I59-S62 PolarHBondContact O-OG 3.4Å; I59-H63 WeakPolarHBondContact O-CB 3.22Å; I59-H63 PolarHBondContact O-N 3.42Å; I59-V114 HydrophobicContact CG2-CG1 4.21Å; I59-V114 HydrophobicContact CG2-CG2 4.01Å |
| 60 | R | 87.1 | Confident | 84.7 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 28% | 0.275 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -52.9 | -55 | 171.8 | 177.8 | -174.6 | 170.9 | 119.7 | 23.4 | 112.2 | A56 Q58 S62 H63 E64 V114 Y118 | A56-R60 WeakPolarHBondContact O-CB 3.5Å; A56-R60 PolarHBondContact O-N 3.09Å; Q58-R60 VanDerWaalsContact C-N 3.34Å; Q58-R60 PolarHBondContact O-N 3.15Å; R60-S62 VanDerWaalsContact C-N 3.25Å; R60-S62 PolarHBondContact O-N 2.88Å; R60-H63 PolarHBondContact O-N 3.35Å; R60-E64 HydrophobicContact CG-CG 4.37Å; R60-E64 IonicContact CZ-OE1 3.52Å; R60-E64 IonicContact NE-OE1 2.65Å; R60-E64 PolarHBondContact NE-OE1 2.93Å; R60-E64 IonicContact NE-OE2 2.73Å; R60-E64 IonicContact NH2-OE1 2.72Å; R60-E64 PolarHBondContact NH2-OE1 3.33Å; R60-E64 WeakPolarHBondContact O-CG 3.45Å; R60-E64 PolarHBondContact O-N 3.45Å; R60-V114 HydrophobicContact CB-CG1 4.07Å; R60-Y118 HydrophobicContact CB-CD2 4.32Å |
| 61 | K | 84.9 | Confident | 84.4 | Confident | 101 Ų | 101 | 63.2 Ų | 63.2 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.9 | -37.9 | 178.2 | -72.4 | 162.1 | -177.4 | 163.9 | 0 | 112.2 | C57 Q58 Q65 | C57-K61 WeakPolarHBondContact O-CD 3.24Å; C57-K61 VanDerWaalsContact O-CG 3.24Å; C57-K61 WeakPolarHBondContact O-CG 3.48Å; C57-K61 PolarHBondContact O-N 3.4Å; C57-K61 VanDerWaalsContact SG-CE 3.51Å; C57-K61 PolarHBondContact SG-NZ 2.87Å; Q58-K61 PolarHBondContact O-N 3.02Å; K61-Q65 WeakPolarHBondContact O-CG 3.3Å; K61-Q65 PolarHBondContact O-N 3.33Å |
| 62 | S | 82.8 | Confident | 84.1 | Confident | 36 Ų | 36 | 63 Ų | 63 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70 | -31 | 177.1 | 81.2 | 0 | 0 | 0 | 0 | 113.3 | Q46 Q58 I59 R60 F66 | Q46-S62 PolarHBondContact NE2-O 3.47Å; Q58-S62 PolarHBondContact O-N 3.39Å; I59-S62 PolarHBondContact O-N 2.99Å; I59-S62 PolarHBondContact O-OG 3.4Å; R60-S62 VanDerWaalsContact C-N 3.25Å; R60-S62 PolarHBondContact O-N 2.88Å; S62-F66 PolarHBondContact O-N 3.39Å |
| 63 | H | 86.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -79.1 | -41.7 | 178 | -173.6 | 70.2 | 0 | 0 | 0 | 111.5 | I59 R60 Q65 F66 E67 R110 T111 V114 | I59-H63 WeakPolarHBondContact O-CB 3.22Å; I59-H63 PolarHBondContact O-N 3.42Å; R60-H63 PolarHBondContact O-N 3.35Å; H63-Q65 VanDerWaalsContact C-N 3.26Å; H63-Q65 PolarHBondContact O-N 3.22Å; H63-F66 AromaticContact ND1-CD1 3.98Å; H63-F66 CarbonylContact O-C 3.56Å; H63-F66 WeakPolarHBondContact O-CA 3.21Å; H63-F66 WeakPolarHBondContact O-CB 3.42Å; H63-F66 PolarHBondContact O-N 3.27Å; H63-E67 IonicContact CD2-OE1 2.67Å; H63-E67 IonicContact CD2-OE2 2.7Å; H63-E67 VanDerWaalsContact NE2-CD 3.26Å; H63-E67 IonicContact NE2-OE1 3.23Å; H63-E67 PolarHBondContact NE2-OE1 2.94Å; H63-E67 IonicContact NE2-OE2 3.43Å; H63-E67 PolarHBondContact O-N 2.84Å; H63-R110 PolarHBondContact ND1-NE 2.61Å; H63-T111 WeakPolarHBondContact NE2-CA 3.3Å; H63-T111 PolarHBondContact NE2-OG1 3.32Å; H63-V114 HydrophobicContact CB-CG1 4.06Å; H63-V114 HydrophobicContact CB-CG2 4.35Å |
| 64 | E | 84.5 | Confident | 83.4 | Confident | 80 Ų | 80 | 61.1 Ų | 61.1 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.6 | -39.3 | 172.1 | -70.5 | 168.7 | 159.7 | 0 | 0 | 111 | R60 F66 F68 | R60-E64 HydrophobicContact CG-CG 4.37Å; R60-E64 IonicContact CZ-OE1 3.52Å; R60-E64 IonicContact NE-OE1 2.65Å; R60-E64 PolarHBondContact NE-OE1 2.93Å; R60-E64 IonicContact NE-OE2 2.73Å; R60-E64 IonicContact NH2-OE1 2.72Å; R60-E64 PolarHBondContact NH2-OE1 3.33Å; R60-E64 WeakPolarHBondContact O-CG 3.45Å; R60-E64 PolarHBondContact O-N 3.45Å; E64-F66 VanDerWaalsContact C-N 3.29Å; E64-F66 PolarHBondContact O-N 2.87Å; E64-F68 PolarHBondContact O-N 3Å; E64-F68 VanDerWaalsContact O-N 3.17Å |
| 65 | Q | 83.4 | Confident | 83 | Confident | 129 Ų | 129 | 61.5 Ų | 61.5 | 60% | 0.603 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -69 | -20.1 | 171.6 | -74 | -177.8 | 12.2 | 0 | 0 | 114.8 | K61 H63 K69 | K61-Q65 WeakPolarHBondContact O-CG 3.3Å; K61-Q65 PolarHBondContact O-N 3.33Å; H63-Q65 VanDerWaalsContact C-N 3.26Å; H63-Q65 PolarHBondContact O-N 3.22Å; Q65-K69 WeakPolarHBondContact O-CG 3.44Å |
| 66 | F | 84.9 | Confident | 82.8 | Confident | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -88 | -43 | 176.2 | 168.6 | -124.9 | 0 | 0 | 0 | 111.1 | L42 L43 S62 H63 E64 F68 K69 C70 F103 L107 | L42-F66 HydrophobicContact CB-CD2 3.61Å; L42-F66 HydrophobicContact CB-CE2 3.32Å; L42-F66 HydrophobicContact CB-CZ 4.03Å; L42-F66 HydrophobicContact CD1-CD2 3.97Å; L42-F66 HydrophobicContact CD1-CE2 4.01Å; L42-F66 HydrophobicContact CG-CD2 4.33Å; L42-F66 HydrophobicContact CG-CE2 4.29Å; L43-F66 HydrophobicContact CB-CE1 4.12Å; L43-F66 HydrophobicContact CB-CZ 3.85Å; L43-F66 HydrophobicContact CD1-CE1 3.74Å; L43-F66 HydrophobicContact CD1-CZ 4.13Å; S62-F66 PolarHBondContact O-N 3.39Å; H63-F66 AromaticContact ND1-CD1 3.98Å; H63-F66 CarbonylContact O-C 3.56Å; H63-F66 WeakPolarHBondContact O-CA 3.21Å; H63-F66 WeakPolarHBondContact O-CB 3.42Å; H63-F66 PolarHBondContact O-N 3.27Å; E64-F66 VanDerWaalsContact C-N 3.29Å; E64-F66 PolarHBondContact O-N 2.87Å; F66-F68 VanDerWaalsContact C-N 3.27Å; F66-F68 PolarHBondContact O-N 3.46Å; F66-K69 WeakPolarHBondContact O-CA 3.26Å; F66-K69 WeakPolarHBondContact O-CB 3.29Å; F66-K69 PolarHBondContact O-N 3.41Å; F66-C70 WeakPolarHBondContact CE2-SG 3.39Å; F66-C70 WeakPolarHBondContact CZ-SG 3.45Å; F66-C70 PolarHBondContact O-N 2.91Å; F66-C70 PolarHBondContact O-SG 2.99Å; F66-C70 VanDerWaalsContact O-SG 3.4Å; F66-F103 HydrophobicContact CZ-CZ 4.07Å; F66-L107 HydrophobicContact CD1-CD1 3.97Å; F66-L107 HydrophobicContact CE1-CD1 3.44Å; F66-L107 VanDerWaalsContact CE1-CD1 3.44Å; F66-L107 HydrophobicContact CZ-CD1 4.14Å |
| 67 | E | 83.4 | Confident | 82.6 | Confident | 51 Ų | 51 | 61.7 Ų | 61.7 | 24% | 0.238 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.5 | -42.4 | 171.7 | -70.6 | 179.9 | 144.4 | 0 | 0 | 111.6 | H63 K69 C70 M71 L107 T111 | H63-E67 IonicContact CD2-OE1 2.67Å; H63-E67 IonicContact CD2-OE2 2.7Å; H63-E67 VanDerWaalsContact NE2-CD 3.26Å; H63-E67 IonicContact NE2-OE1 3.23Å; H63-E67 PolarHBondContact NE2-OE1 2.94Å; H63-E67 IonicContact NE2-OE2 3.43Å; H63-E67 PolarHBondContact O-N 2.84Å; E67-K69 PolarHBondContact O-N 3.09Å; E67-C70 WeakPolarHBondContact O-CA 3.5Å; E67-C70 WeakPolarHBondContact O-CB 3.24Å; E67-C70 PolarHBondContact O-N 2.87Å; E67-M71 WeakPolarHBondContact O-CG 3.2Å; E67-M71 PolarHBondContact O-N 3.49Å; E67-L107 HydrophobicContact CG-CD1 4.26Å; E67-T111 WeakPolarHBondContact OE1-CB 3.17Å; E67-T111 WeakPolarHBondContact OE1-CG2 3.44Å; E67-T111 PolarHBondContact OE1-OG1 3.29Å |
| 68 | F | 82.5 | Confident | 82.3 | Confident | 124 Ų | 124 | 63.5 Ų | 63.5 | 54% | 0.544 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -27.5 | 173.5 | -175.6 | -106.8 | 0 | 0 | 0 | 113.9 | E64 F66 | E64-F68 PolarHBondContact O-N 3Å; E64-F68 VanDerWaalsContact O-N 3.17Å; F66-F68 VanDerWaalsContact C-N 3.27Å; F66-F68 PolarHBondContact O-N 3.46Å |
| 69 | K | 80.1 | Confident | 81.9 | Confident | 105 Ų | 105 | 63.9 Ų | 63.9 | 46% | 0.457 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -80 | -36.4 | 172.3 | -65.8 | 169.9 | -174.4 | 172.5 | 0 | 111.6 | W34 L42 Q65 F66 E67 K72 A73 | W34-K69 HydrophobicContact CZ2-CB 4.44Å; L42-K69 HydrophobicContact CD1-CD 4.37Å; Q65-K69 WeakPolarHBondContact O-CG 3.44Å; F66-K69 WeakPolarHBondContact O-CA 3.26Å; F66-K69 WeakPolarHBondContact O-CB 3.29Å; F66-K69 PolarHBondContact O-N 3.41Å; E67-K69 PolarHBondContact O-N 3.09Å; K69-K72 PolarHBondContact O-N 3.01Å; K69-A73 PolarHBondContact O-N 2.63Å |
| 70 | C | 82.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 173.4 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | W34 F66 E67 K72 A73 L74 F103 L107 | W34-C70 HydrophobicContact CH2-CB 4.46Å; F66-C70 WeakPolarHBondContact CE2-SG 3.39Å; F66-C70 WeakPolarHBondContact CZ-SG 3.45Å; F66-C70 PolarHBondContact O-N 2.91Å; F66-C70 PolarHBondContact O-SG 2.99Å; F66-C70 VanDerWaalsContact O-SG 3.4Å; E67-C70 WeakPolarHBondContact O-CA 3.5Å; E67-C70 WeakPolarHBondContact O-CB 3.24Å; E67-C70 PolarHBondContact O-N 2.87Å; C70-K72 VanDerWaalsContact C-N 3.29Å; C70-K72 PolarHBondContact O-N 3.23Å; C70-A73 PolarHBondContact O-N 2.81Å; C70-L74 WeakPolarHBondContact O-CG 3.41Å; C70-L74 PolarHBondContact O-N 2.7Å; C70-F103 HydrophobicContact CB-CE1 4.31Å; C70-L107 HydrophobicContact CB-CD2 3.72Å |
| 71 | M | 81 | Confident | 80.6 | Confident | 110 Ų | 110 | 61.5 Ų | 61.5 | 54% | 0.542 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.1 | -46.7 | 177.2 | -73.4 | 177.7 | 67.5 | 0 | 0 | 111.6 | E67 A73 L74 E75 | E67-M71 WeakPolarHBondContact O-CG 3.2Å; E67-M71 PolarHBondContact O-N 3.49Å; M71-A73 VanDerWaalsContact C-N 3.29Å; M71-A73 PolarHBondContact O-N 2.82Å; M71-L74 CarbonylContact O-C 3.59Å; M71-L74 PolarHBondContact O-N 3.41Å; M71-E75 WeakPolarHBondContact O-CG 3.49Å; M71-E75 PolarHBondContact O-N 3.13Å |
| 72 | K | 77.1 | Confident | 79.8 | Confident | 114 Ų | 114 | 61 Ų | 61 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -26.7 | 178.1 | -65.2 | -170.1 | 176.2 | -160.2 | 0 | 114.9 | K69 C70 E75 | K69-K72 PolarHBondContact O-N 3.01Å; C70-K72 VanDerWaalsContact C-N 3.29Å; C70-K72 PolarHBondContact O-N 3.23Å; K72-E75 WeakPolarHBondContact CA-OE2 3.38Å |
| 73 | A | 78.4 | Confident | 79 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 12% | 0.116 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -79.8 | -33.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W34 K69 C70 M71 V76 F77 | W34-A73 HydrophobicContact CD2-CB 3.65Å; W34-A73 HydrophobicContact CE3-CB 3.46Å; W34-A73 VanDerWaalsContact CE3-CB 3.46Å; W34-A73 HydrophobicContact CG-CB 4.31Å; W34-A73 HydrophobicContact CH2-CB 4.06Å; W34-A73 HydrophobicContact CZ2-CB 4.22Å; W34-A73 HydrophobicContact CZ3-CB 3.67Å; K69-A73 PolarHBondContact O-N 2.63Å; C70-A73 PolarHBondContact O-N 2.81Å; M71-A73 VanDerWaalsContact C-N 3.29Å; M71-A73 PolarHBondContact O-N 2.82Å; A73-V76 PolarHBondContact O-N 2.77Å; A73-F77 PolarHBondContact O-N 3Å |
| 74 | L | 80.7 | Confident | 77.7 | Confident | 52 Ų | 52 | 68 Ų | 68 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -74.4 | -28.9 | 176.3 | -65.4 | 169.9 | 0 | 0 | 0 | 112.5 | C70 M71 F77 A78 V100 V104 | C70-L74 WeakPolarHBondContact O-CG 3.41Å; C70-L74 PolarHBondContact O-N 2.7Å; M71-L74 CarbonylContact O-C 3.59Å; M71-L74 PolarHBondContact O-N 3.41Å; L74-F77 PolarHBondContact O-N 3.22Å; L74-A78 PolarHBondContact O-N 2.81Å; L74-V100 HydrophobicContact CD2-CG1 3.64Å; L74-V104 HydrophobicContact CD1-CG2 4.03Å; L74-V104 HydrophobicContact CD2-CG2 3.82Å |
| 75 | E | 77.8 | Confident | 76.2 | Confident | 110 Ų | 110 | 71.9 Ų | 71.9 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.5 | -46.8 | 169.3 | -76.5 | 162.9 | -173.9 | 0 | 0 | 111.1 | M71 K72 F77 A78 E79 | M71-E75 WeakPolarHBondContact O-CG 3.49Å; M71-E75 PolarHBondContact O-N 3.13Å; K72-E75 WeakPolarHBondContact CA-OE2 3.38Å; E75-F77 VanDerWaalsContact C-N 3.31Å; E75-F77 PolarHBondContact O-N 3.12Å; E75-A78 WeakPolarHBondContact O-CB 3.49Å; E75-A78 PolarHBondContact O-N 3.05Å; E75-A78 VanDerWaalsContact O-N 3.16Å; E75-E79 PolarHBondContact O-N 3.09Å; E75-E79 VanDerWaalsContact O-N 3.11Å |
| 76 | V | 80.5 | Confident | 74.8 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -32.1 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | V31 A73 L80 | V31-V76 HydrophobicContact CG2-CB 4Å; V31-V76 HydrophobicContact CG2-CG1 3.68Å; A73-V76 PolarHBondContact O-N 2.77Å; V76-L80 PolarHBondContact O-N 3.26Å |
| 77 | F | 82.1 | Confident | 73.1 | Confident | 22 Ų | 22 | 76.2 Ų | 76.2 | 10% | 0.096 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.9 | -35.6 | 172.5 | 179.2 | -109.7 | 0 | 0 | 0 | 112.7 | V31 A73 L74 E75 L80 C81 L96 D97 V100 | V31-F77 HydrophobicContact CG1-CB 4.25Å; A73-F77 PolarHBondContact O-N 3Å; L74-F77 PolarHBondContact O-N 3.22Å; E75-F77 VanDerWaalsContact C-N 3.31Å; E75-F77 PolarHBondContact O-N 3.12Å; F77-L80 WeakPolarHBondContact O-CB 3.43Å; F77-L80 PolarHBondContact O-N 2.89Å; F77-C81 WeakPolarHBondContact CE1-SG 3.39Å; F77-C81 WeakPolarHBondContact CZ-SG 3.4Å; F77-C81 PolarHBondContact O-N 3.35Å; F77-C81 PolarHBondContact O-SG 3.3Å; F77-C81 VanDerWaalsContact O-SG 3.4Å; F77-L96 HydrophobicContact CD2-CD2 3.82Å; F77-L96 HydrophobicContact CD2-CG 3.91Å; F77-L96 HydrophobicContact CE2-CB 4.37Å; F77-L96 HydrophobicContact CE2-CD2 4.04Å; F77-L96 HydrophobicContact CE2-CG 3.85Å; F77-D97 HydrophobicContact CZ-CB 4.16Å; F77-V100 HydrophobicContact CB-CG2 4.4Å; F77-V100 HydrophobicContact CD1-CB 4.26Å; F77-V100 HydrophobicContact CD1-CG1 3.74Å; F77-V100 HydrophobicContact CD1-CG2 4.01Å; F77-V100 HydrophobicContact CD2-CG2 3.72Å; F77-V100 HydrophobicContact CE1-CB 4.09Å; F77-V100 HydrophobicContact CE1-CG1 3.76Å; F77-V100 HydrophobicContact CE1-CG2 4.19Å; F77-V100 HydrophobicContact CE2-CB 4.45Å; F77-V100 HydrophobicContact CE2-CG2 3.92Å; F77-V100 HydrophobicContact CG-CG1 4.31Å; F77-V100 HydrophobicContact CG-CG2 3.76Å; F77-V100 HydrophobicContact CZ-CB 4.19Å; F77-V100 HydrophobicContact CZ-CG1 4.37Å; F77-V100 HydrophobicContact CZ-CG2 4.14Å |
| 78 | A | 76.8 | Confident | 71.6 | Confident | 56 Ų | 56 | 79.7 Ų | 79.7 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L74 E75 L80 C81 D82 | L74-A78 PolarHBondContact O-N 2.81Å; E75-A78 WeakPolarHBondContact O-CB 3.49Å; E75-A78 PolarHBondContact O-N 3.05Å; E75-A78 VanDerWaalsContact O-N 3.16Å; A78-L80 VanDerWaalsContact C-N 3.33Å; A78-L80 PolarHBondContact O-N 3.48Å; A78-C81 WeakPolarHBondContact O-CB 3.12Å; A78-C81 PolarHBondContact O-N 2.91Å; A78-D82 PolarHBondContact O-N 3.04Å |
| 79 | E | 76.4 | Confident | 70.3 | Confident | 95 Ų | 95 | 76 Ų | 76 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.1 | -47.5 | 170.7 | -67.3 | -176.6 | -169.1 | 0 | 0 | 111.6 | K27 E75 C81 D82 Y83 | K27-E79 IonicContact NZ-OE2 2.8Å; K27-E79 PolarHBondContact NZ-OE2 3.03Å; E75-E79 PolarHBondContact O-N 3.09Å; E75-E79 VanDerWaalsContact O-N 3.11Å; E79-C81 VanDerWaalsContact C-N 3.32Å; E79-C81 PolarHBondContact O-N 3.48Å; E79-D82 PolarHBondContact O-N 3.47Å; E79-Y83 WeakPolarHBondContact O-CD2 3.34Å |
| 80 | L | 76.3 | Confident | 69.4 | Low | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 178.1 | -77.6 | 172.6 | 0 | 0 | 0 | 113.1 | L24 K27 I28 V31 V76 F77 A78 D82 Y83 L93 L96 | L24-L80 HydrophobicContact CD1-CD2 3.59Å; L24-L80 HydrophobicContact CG-CD2 4.19Å; K27-L80 HydrophobicContact CB-CD1 4.25Å; K27-L80 HydrophobicContact CB-CD2 3.67Å; K27-L80 HydrophobicContact CB-CG 4.13Å; I28-L80 HydrophobicContact CG1-CD1 4.05Å; I28-L80 HydrophobicContact CG1-CD2 3.88Å; V31-L80 HydrophobicContact CG2-CD1 3.99Å; V76-L80 PolarHBondContact O-N 3.26Å; F77-L80 WeakPolarHBondContact O-CB 3.43Å; F77-L80 PolarHBondContact O-N 2.89Å; A78-L80 VanDerWaalsContact C-N 3.33Å; A78-L80 PolarHBondContact O-N 3.48Å; L80-D82 VanDerWaalsContact C-N 3.29Å; L80-D82 PolarHBondContact O-N 3Å; L80-Y83 PolarHBondContact O-N 3.05Å; L80-L93 HydrophobicContact CB-CD2 4.16Å; L80-L96 HydrophobicContact CD1-CD2 3.56Å |
| 81 | C | 70.6 | Confident | 68.5 | Low | 41 Ų | 41 | 82.5 Ų | 82.5 | 28% | 0.277 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.1 | -30.3 | 177 | -73.4 | 0 | 0 | 0 | 0 | 113.4 | F77 A78 E79 R84 | F77-C81 WeakPolarHBondContact CE1-SG 3.39Å; F77-C81 WeakPolarHBondContact CZ-SG 3.4Å; F77-C81 PolarHBondContact O-N 3.35Å; F77-C81 PolarHBondContact O-SG 3.3Å; F77-C81 VanDerWaalsContact O-SG 3.4Å; A78-C81 WeakPolarHBondContact O-CB 3.12Å; A78-C81 PolarHBondContact O-N 2.91Å; E79-C81 VanDerWaalsContact C-N 3.32Å; E79-C81 PolarHBondContact O-N 3.48Å; C81-R84 WeakPolarHBondContact O-CB 3.32Å; C81-R84 PolarHBondContact O-N 3.07Å |
| 82 | D | 67.9 | Low | 67.9 | Low | 90 Ų | 90 | 82.1 Ų | 82.1 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -73 | -30.8 | 178 | -90.3 | -39.6 | 0 | 0 | 0 | 113.2 | A78 E79 L80 R84 K85 | A78-D82 PolarHBondContact O-N 3.04Å; E79-D82 PolarHBondContact O-N 3.47Å; L80-D82 VanDerWaalsContact C-N 3.29Å; L80-D82 PolarHBondContact O-N 3Å; D82-R84 PolarHBondContact O-N 2.85Å; D82-K85 PolarHBondContact O-N 2.96Å; D82-K85 IonicContact OD1-NZ 2.7Å; D82-K85 PolarHBondContact OD1-NZ 3.22Å |
| 83 | Y | 65.7 | Low | 67.6 | Low | 93 Ų | 93 | 76.9 Ų | 76.9 | 37% | 0.365 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.2 | -20.4 | 171.7 | -70.6 | -84.8 | 0 | 0 | 0 | 113.5 | L24 E79 L80 K85 Q86 | L24-Y83 HydrophobicContact CD1-CD1 4.31Å; L24-Y83 HydrophobicContact CD1-CD2 3.95Å; L24-Y83 HydrophobicContact CD1-CG 3.8Å; E79-Y83 WeakPolarHBondContact O-CD2 3.34Å; L80-Y83 PolarHBondContact O-N 3.05Å; Y83-K85 PolarHBondContact O-N 2.86Å; Y83-Q86 PolarHBondContact O-N 2.66Å |
| 84 | R | 58.4 | Low | 67.3 | Low | 93 Ų | 93 | 78.6 Ų | 78.6 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -14.6 | 176.4 | -155.1 | -179.6 | -166.6 | 167 | 6.2 | 113 | C81 D82 L93 D97 | C81-R84 WeakPolarHBondContact O-CB 3.32Å; C81-R84 PolarHBondContact O-N 3.07Å; D82-R84 PolarHBondContact O-N 2.85Å; R84-L93 HydrophobicContact CB-CD1 4.45Å; R84-L93 HydrophobicContact CG-CD1 4.43Å; R84-D97 IonicContact CZ-OD2 2.87Å; R84-D97 IonicContact NH1-OD2 3.05Å; R84-D97 PolarHBondContact NH1-OD2 3.33Å; R84-D97 IonicContact NH2-OD2 3.17Å; R84-D97 PolarHBondContact NH2-OD2 3.07Å; R84-D97 VanDerWaalsContact NH2-OD2 3.15Å |
| 85 | K | 53.6 | Low | 67.2 | Low | 162 Ų | 162 | 80.5 Ų | 80.5 | 70% | 0.704 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5.7 | 176.2 | -62.6 | 163.9 | -175.6 | 163.6 | 0 | 113.9 | D82 Y83 | D82-K85 PolarHBondContact O-N 2.96Å; D82-K85 IonicContact OD1-NZ 2.7Å; D82-K85 PolarHBondContact OD1-NZ 3.22Å; Y83-K85 PolarHBondContact O-N 2.86Å |
| 86 | Q | 53.6 | Low | 67.5 | Low | 169 Ų | 169 | 75.3 Ų | 75.3 | 79% | 0.79 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.6 | -1.5 | -165.8 | -60.8 | -172.5 | 7.2 | 0 | 0 | 116.2 | Y83 | Y83-Q86 PolarHBondContact O-N 2.66Š|
| 87 | S | 49.7 | Very low | 67.5 | Low | 54 Ų | 54 | 74.7 Ų | 74.7 | 38% | 0.378 | 39% | 0.39 | S | S | . | . | trans | -144.5 | 162.7 | -174.2 | 68.4 | 0 | 0 | 0 | 0 | 114.3 | I89 | S87-I89 VanDerWaalsContact C-N 3.26Å; S87-I89 PolarHBondContact O-N 3.3Å | ||
| 88 | S | 51 | Low | 67.7 | Low | 123 Ų | 123 | 81.7 Ų | 81.7 | 86% | 0.86 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -80.8 | 5.9 | -179.3 | 45.2 | 0 | 0 | 0 | 0 | 114.7 | N90 | S88-N90 PolarHBondContact O-N 3.08Š|
| 89 | I | 56.7 | Low | 68.1 | Low | 48 Ų | 48 | 80.6 Ų | 80.6 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | trans | -86.4 | 49 | -168.1 | -49.3 | 171.1 | 0 | 0 | 0 | 110.6 | L24 S87 L91 | L24-I89 HydrophobicContact CD2-CB 4.34Å; L24-I89 HydrophobicContact CD2-CD1 3.6Å; L24-I89 HydrophobicContact CD2-CG2 4.34Å; S87-I89 VanDerWaalsContact C-N 3.26Å; S87-I89 PolarHBondContact O-N 3.3Å; I89-L91 PolarHBondContact O-N 3.42Å | ||
| 90 | N | 59.9 | Low | 68.5 | Low | 106 Ų | 106 | 76.5 Ų | 76.5 | 57% | 0.567 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -78.4 | -16.6 | -164.5 | -144.2 | -3 | 0 | 0 | 0 | 114 | S88 | S88-N90 PolarHBondContact O-N 3.08Å |
| 91 | L | 64 | Low | 68.8 | Low | 136 Ų | 136 | 80.4 Ų | 80.4 | 71% | 0.712 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -84.4 | -53.7 | -174.3 | -145.8 | 78.1 | 0 | 0 | 0 | 112.7 | I89 L93 S94 E95 | I89-L91 PolarHBondContact O-N 3.42Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.06Å; L91-S94 WeakPolarHBondContact O-CA 3.46Å; L91-S94 WeakPolarHBondContact O-CB 3.28Å; L91-S94 PolarHBondContact O-N 3.38Å; L91-S94 PolarHBondContact O-OG 3.06Å; L91-E95 PolarHBondContact O-N 3.49Å |
| 92 | E | 67.9 | Low | 69.6 | Low | 102 Ų | 102 | 80.4 Ų | 80.4 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | -178.3 | -61.9 | -174.9 | 149.9 | 0 | 0 | 112 | I28 S94 E95 L96 | I28-E92 HydrophobicContact CD1-CB 4.42Å; E92-S94 PolarHBondContact O-N 3.48Å; E92-E95 PolarHBondContact O-N 2.93Å; E92-L96 PolarHBondContact O-N 3.06Å |
| 93 | L | 72.5 | Confident | 70.5 | Confident | 3 Ų | 3 | 76.5 Ų | 76.5 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.5 | -30.9 | 171.7 | -88.5 | 158 | 0 | 0 | 0 | 112.3 | I28 L80 R84 L91 D97 | I28-L93 HydrophobicContact CD1-CG 4.32Å; L80-L93 HydrophobicContact CB-CD2 4.16Å; R84-L93 HydrophobicContact CB-CD1 4.45Å; R84-L93 HydrophobicContact CG-CD1 4.43Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.06Å; L93-D97 VanDerWaalsContact O-CB 3.24Å; L93-D97 WeakPolarHBondContact O-CB 3.48Å; L93-D97 PolarHBondContact O-N 3Å |
| 94 | S | 71.2 | Confident | 71.5 | Confident | 50 Ų | 50 | 74 Ų | 74 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -75.8 | -33.4 | 177 | 78.8 | 0 | 0 | 0 | 0 | 113.4 | L91 E92 Y98 | L91-S94 WeakPolarHBondContact O-CA 3.46Å; L91-S94 WeakPolarHBondContact O-CB 3.28Å; L91-S94 PolarHBondContact O-N 3.38Å; L91-S94 PolarHBondContact O-OG 3.06Å; E92-S94 PolarHBondContact O-N 3.48Å; S94-Y98 PolarHBondContact O-N 3.32Å |
| 95 | E | 79.3 | Confident | 72.5 | Confident | 93 Ų | 93 | 73.2 Ų | 73.2 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | 170.3 | -63.8 | -168.2 | 159.6 | 0 | 0 | 111.3 | R32 L91 E92 Y98 M99 | R32-E95 IonicContact CZ-OE2 3.32Å; R32-E95 IonicContact NH1-OE2 3.94Å; R32-E95 PolarHBondContact NH1-OE2 3.12Å; R32-E95 IonicContact NH2-OE2 2.73Å; R32-E95 PolarHBondContact NH2-OE2 3.11Å; L91-E95 PolarHBondContact O-N 3.49Å; E92-E95 PolarHBondContact O-N 2.93Å; E95-Y98 PolarHBondContact O-N 3.16Å; E95-M99 WeakPolarHBondContact O-CG 3.38Å; E95-M99 PolarHBondContact O-N 3.38Å |
| 96 | L | 83.2 | Confident | 74 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 178.3 | -170.2 | 62 | 0 | 0 | 0 | 111.8 | I28 V31 R32 F77 L80 E92 Y98 M99 V100 | I28-L96 HydrophobicContact CB-CD2 4.46Å; I28-L96 HydrophobicContact CG1-CD2 4.2Å; I28-L96 HydrophobicContact CG2-CD2 4.34Å; V31-L96 HydrophobicContact CB-CD1 4.05Å; V31-L96 HydrophobicContact CB-CD2 4.26Å; V31-L96 HydrophobicContact CG1-CD1 3.81Å; V31-L96 HydrophobicContact CG1-CD2 4.38Å; V31-L96 HydrophobicContact CG1-CG 4.38Å; R32-L96 HydrophobicContact CB-CD1 4.3Å; F77-L96 HydrophobicContact CD2-CD2 3.82Å; F77-L96 HydrophobicContact CD2-CG 3.91Å; F77-L96 HydrophobicContact CE2-CB 4.37Å; F77-L96 HydrophobicContact CE2-CD2 4.04Å; F77-L96 HydrophobicContact CE2-CG 3.85Å; L80-L96 HydrophobicContact CD1-CD2 3.56Å; E92-L96 PolarHBondContact O-N 3.06Å; L96-Y98 PolarHBondContact O-N 3.25Å; L96-M99 HydrophobicContact CD1-CE 3.55Å; L96-M99 PolarHBondContact O-N 2.96Å; L96-V100 WeakPolarHBondContact O-CB 3.2Å; L96-V100 VanDerWaalsContact O-CG2 3.32Å; L96-V100 WeakPolarHBondContact O-CG2 3.33Å; L96-V100 PolarHBondContact O-N 3.18Å |
| 97 | D | 81.6 | Confident | 75.5 | Confident | 32 Ų | 32 | 63 Ų | 63 | 17% | 0.171 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.5 | -47.4 | 174 | -165.9 | -0.9 | 0 | 0 | 0 | 111.3 | F77 R84 L93 M99 V100 Q101 | F77-D97 HydrophobicContact CZ-CB 4.16Å; R84-D97 IonicContact CZ-OD2 2.87Å; R84-D97 IonicContact NH1-OD2 3.05Å; R84-D97 PolarHBondContact NH1-OD2 3.33Å; R84-D97 IonicContact NH2-OD2 3.17Å; R84-D97 PolarHBondContact NH2-OD2 3.07Å; R84-D97 VanDerWaalsContact NH2-OD2 3.15Å; L93-D97 VanDerWaalsContact O-CB 3.24Å; L93-D97 WeakPolarHBondContact O-CB 3.48Å; L93-D97 PolarHBondContact O-N 3Å; D97-M99 PolarHBondContact O-N 2.98Å; D97-V100 PolarHBondContact O-N 3.01Å; D97-Q101 WeakPolarHBondContact O-CB 3.27Å; D97-Q101 VanDerWaalsContact O-CG 3.28Å; D97-Q101 WeakPolarHBondContact O-CG 3.43Å; D97-Q101 PolarHBondContact O-N 3.1Å; D97-Q101 PolarHBondContact OD1-NE2 3.22Å |
| 98 | Y | 84.6 | Confident | 77.1 | Confident | 168 Ų | 168 | 64.1 Ų | 64.1 | 66% | 0.659 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 175.3 | -177 | -100.4 | 0 | 0 | 0 | 113.4 | S94 E95 L96 Q101 S102 | S94-Y98 PolarHBondContact O-N 3.32Å; E95-Y98 PolarHBondContact O-N 3.16Å; L96-Y98 PolarHBondContact O-N 3.25Å; Y98-Q101 PolarHBondContact O-N 3.09Å; Y98-S102 WeakPolarHBondContact O-CB 3.49Å; Y98-S102 PolarHBondContact O-N 3.28Å |
| 99 | M | 85.9 | Confident | 78.6 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 17% | 0.167 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 176.2 | -70.2 | -171.3 | -50.8 | 0 | 0 | 112.1 | R32 I36 E95 L96 D97 S102 F103 | R32-M99 HydrophobicContact CB-CE 3.88Å; R32-M99 HydrophobicContact CG-CE 3.84Å; I36-M99 HydrophobicContact CD1-SD 4.08Å; I36-M99 HydrophobicContact CG1-SD 4.48Å; E95-M99 WeakPolarHBondContact O-CG 3.38Å; E95-M99 PolarHBondContact O-N 3.38Å; L96-M99 HydrophobicContact CD1-CE 3.55Å; L96-M99 PolarHBondContact O-N 2.96Å; D97-M99 PolarHBondContact O-N 2.98Å; M99-S102 PolarHBondContact O-N 3.01Å; M99-F103 WeakPolarHBondContact O-CB 3.3Å; M99-F103 PolarHBondContact O-N 3.47Å |
| 100 | V | 85.8 | Confident | 79.9 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | V31 I35 L74 F77 L96 D97 S102 F103 V104 | V31-V100 HydrophobicContact CG1-CG2 4.27Å; I35-V100 HydrophobicContact CD1-CB 4.46Å; I35-V100 HydrophobicContact CD1-CG2 3.55Å; L74-V100 HydrophobicContact CD2-CG1 3.64Å; F77-V100 HydrophobicContact CB-CG2 4.4Å; F77-V100 HydrophobicContact CD1-CB 4.26Å; F77-V100 HydrophobicContact CD1-CG1 3.74Å; F77-V100 HydrophobicContact CD1-CG2 4.01Å; F77-V100 HydrophobicContact CD2-CG2 3.72Å; F77-V100 HydrophobicContact CE1-CB 4.09Å; F77-V100 HydrophobicContact CE1-CG1 3.76Å; F77-V100 HydrophobicContact CE1-CG2 4.19Å; F77-V100 HydrophobicContact CE2-CB 4.45Å; F77-V100 HydrophobicContact CE2-CG2 3.92Å; F77-V100 HydrophobicContact CG-CG1 4.31Å; F77-V100 HydrophobicContact CG-CG2 3.76Å; F77-V100 HydrophobicContact CZ-CB 4.19Å; F77-V100 HydrophobicContact CZ-CG1 4.37Å; F77-V100 HydrophobicContact CZ-CG2 4.14Å; L96-V100 WeakPolarHBondContact O-CB 3.2Å; L96-V100 VanDerWaalsContact O-CG2 3.32Å; L96-V100 WeakPolarHBondContact O-CG2 3.33Å; L96-V100 PolarHBondContact O-N 3.18Å; D97-V100 PolarHBondContact O-N 3.01Å; V100-S102 VanDerWaalsContact C-N 3.32Å; V100-S102 PolarHBondContact O-N 3.23Å; V100-F103 PolarHBondContact O-N 2.86Å; V100-F103 VanDerWaalsContact O-N 3.16Å; V100-V104 HydrophobicContact CG1-CG2 4.19Å; V100-V104 WeakPolarHBondContact O-CB 3.29Å; V100-V104 WeakPolarHBondContact O-CG2 3.42Å; V100-V104 PolarHBondContact O-N 3.27Å |
| 101 | Q | 82.9 | Confident | 81.1 | Confident | 82 Ų | 82 | 60.1 Ų | 60.1 | 38% | 0.383 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.3 | -44.1 | 177.1 | -71.1 | 179.1 | 36.6 | 0 | 0 | 111.5 | D97 Y98 F103 V104 E105 N1587 | D97-Q101 WeakPolarHBondContact O-CB 3.27Å; D97-Q101 VanDerWaalsContact O-CG 3.28Å; D97-Q101 WeakPolarHBondContact O-CG 3.43Å; D97-Q101 PolarHBondContact O-N 3.1Å; D97-Q101 PolarHBondContact OD1-NE2 3.22Å; Y98-Q101 PolarHBondContact O-N 3.09Å; Q101-F103 PolarHBondContact O-N 2.78Å; Q101-V104 PolarHBondContact O-N 3.38Å; Q101-E105 WeakPolarHBondContact O-CB 3.47Å; Q101-E105 PolarHBondContact O-N 3.45Å; Q101-N1587 PolarHBondContact OE1-ND2 3.17Å |
| 102 | S | 85.5 | Confident | 82.1 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 176.4 | -169.5 | 0 | 0 | 0 | 0 | 112.9 | Y98 M99 V100 K106 | Y98-S102 WeakPolarHBondContact O-CB 3.49Å; Y98-S102 PolarHBondContact O-N 3.28Å; M99-S102 PolarHBondContact O-N 3.01Å; V100-S102 VanDerWaalsContact C-N 3.32Å; V100-S102 PolarHBondContact O-N 3.23Å; S102-K106 WeakPolarHBondContact O-CG 3.35Å; S102-K106 PolarHBondContact O-N 3.41Å |
| 103 | F | 88.5 | Confident | 83.1 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.1 | -46.1 | 176.1 | -179.4 | -104.6 | 0 | 0 | 0 | 112.1 | W34 I35 G39 L43 F66 C70 M99 V100 Q101 E105 K106 L107 | W34-F103 HydrophobicContact CH2-CE1 4.42Å; W34-F103 HydrophobicContact CH2-CZ 4.22Å; W34-F103 AromaticContact CZ3-CE1 3.78Å; W34-F103 HydrophobicContact CZ3-CE1 3.78Å; W34-F103 AromaticContact CZ3-CZ 3.77Å; W34-F103 HydrophobicContact CZ3-CZ 3.77Å; I35-F103 HydrophobicContact CG2-CB 3.98Å; I35-F103 HydrophobicContact CG2-CD2 4.2Å; I35-F103 HydrophobicContact CG2-CG 4.15Å; G39-F103 VanDerWaalsContact C-CE2 3.44Å; L43-F103 HydrophobicContact CB-CE2 4.44Å; L43-F103 HydrophobicContact CD2-CD2 4.25Å; L43-F103 HydrophobicContact CD2-CE2 4.02Å; F66-F103 HydrophobicContact CZ-CZ 4.07Å; C70-F103 HydrophobicContact CB-CE1 4.31Å; M99-F103 WeakPolarHBondContact O-CB 3.3Å; M99-F103 PolarHBondContact O-N 3.47Å; V100-F103 PolarHBondContact O-N 2.86Å; V100-F103 VanDerWaalsContact O-N 3.16Å; Q101-F103 PolarHBondContact O-N 2.78Å; F103-E105 VanDerWaalsContact C-N 3.34Å; F103-E105 PolarHBondContact O-N 3.18Å; F103-K106 PolarHBondContact O-N 3.02Å; F103-L107 WeakPolarHBondContact O-CB 3.36Å; F103-L107 PolarHBondContact O-N 2.88Å |
| 104 | V | 85.2 | Confident | 83.8 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 177.1 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | L74 V100 Q101 L107 N108 | L74-V104 HydrophobicContact CD1-CG2 4.03Å; L74-V104 HydrophobicContact CD2-CG2 3.82Å; V100-V104 HydrophobicContact CG1-CG2 4.19Å; V100-V104 WeakPolarHBondContact O-CB 3.29Å; V100-V104 WeakPolarHBondContact O-CG2 3.42Å; V100-V104 PolarHBondContact O-N 3.27Å; Q101-V104 PolarHBondContact O-N 3.38Å; V104-L107 PolarHBondContact O-N 3.32Å; V104-N108 WeakPolarHBondContact O-CB 3.37Å; V104-N108 VanDerWaalsContact O-CG 3.22Å; V104-N108 PolarHBondContact O-N 3.5Å; V104-N108 PolarHBondContact O-ND2 2.9Å |
| 105 | E | 80.5 | Confident | 84.5 | Confident | 77 Ų | 77 | 56.7 Ų | 56.7 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 175.9 | -157 | -151.7 | 161.6 | 0 | 0 | 111.8 | Q101 F103 N108 R109 | Q101-E105 WeakPolarHBondContact O-CB 3.47Å; Q101-E105 PolarHBondContact O-N 3.45Å; F103-E105 VanDerWaalsContact C-N 3.34Å; F103-E105 PolarHBondContact O-N 3.18Å; E105-N108 PolarHBondContact O-N 3.48Å; E105-R109 VanDerWaalsContact O-CG 3.3Å; E105-R109 WeakPolarHBondContact O-CG 3.42Å; E105-R109 PolarHBondContact O-N 3.44Å; E105-R109 IonicContact OE1-CZ 2.88Å; E105-R109 IonicContact OE1-NE 2.69Å; E105-R109 PolarHBondContact OE1-NE 3.28Å; E105-R109 IonicContact OE1-NH2 2.65Å; E105-R109 PolarHBondContact OE1-NH2 3.4Å; E105-R109 IonicContact OE2-NH2 3.57Å |
| 106 | K | 84.3 | Confident | 84.9 | Confident | 104 Ų | 104 | 52.5 Ų | 52.5 | 45% | 0.452 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.9 | -38.1 | 175.3 | -64.9 | 173.2 | -179.2 | -177.3 | 0 | 112.2 | L43 S102 F103 R110 | L43-K106 HydrophobicContact CD2-CB 3.73Å; L43-K106 HydrophobicContact CD2-CD 4.08Å; S102-K106 WeakPolarHBondContact O-CG 3.35Å; S102-K106 PolarHBondContact O-N 3.41Å; F103-K106 PolarHBondContact O-N 3.02Å; K106-R110 WeakPolarHBondContact O-CB 3.47Å; K106-R110 PolarHBondContact O-N 2.87Å; K106-R110 VanDerWaalsContact O-N 3.14Å |
| 107 | L | 86.2 | Confident | 85.2 | Confident | 12 Ų | 12 | 52.5 Ų | 52.5 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.8 | -52.4 | 174.4 | -176.3 | 65.6 | 0 | 0 | 0 | 110.4 | L43 F66 E67 C70 F103 V104 R109 R110 T111 | L43-L107 HydrophobicContact CD1-CD1 4.27Å; F66-L107 HydrophobicContact CD1-CD1 3.97Å; F66-L107 HydrophobicContact CE1-CD1 3.44Å; F66-L107 VanDerWaalsContact CE1-CD1 3.44Å; F66-L107 HydrophobicContact CZ-CD1 4.14Å; E67-L107 HydrophobicContact CG-CD1 4.26Å; C70-L107 HydrophobicContact CB-CD2 3.72Å; F103-L107 WeakPolarHBondContact O-CB 3.36Å; F103-L107 PolarHBondContact O-N 2.88Å; V104-L107 PolarHBondContact O-N 3.32Å; L107-R109 PolarHBondContact O-N 2.81Å; L107-R110 CarbonylContact O-C 3.57Å; L107-R110 WeakPolarHBondContact O-CA 3.39Å; L107-R110 VanDerWaalsContact O-CB 3.31Å; L107-R110 WeakPolarHBondContact O-CB 3.49Å; L107-R110 PolarHBondContact O-N 3.27Å; L107-R110 VanDerWaalsContact O-N 3.07Å; L107-T111 PolarHBondContact O-N 2.79Å; L107-T111 PolarHBondContact O-OG1 2.9Å |
| 108 | N | 82.3 | Confident | 85.7 | Confident | 78 Ų | 78 | 53 Ų | 53 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 179.8 | -70.4 | -15.2 | 0 | 0 | 0 | 112.4 | V104 E105 R110 T111 F112 | V104-N108 WeakPolarHBondContact O-CB 3.37Å; V104-N108 VanDerWaalsContact O-CG 3.22Å; V104-N108 PolarHBondContact O-N 3.5Å; V104-N108 PolarHBondContact O-ND2 2.9Å; E105-N108 PolarHBondContact O-N 3.48Å; N108-R110 PolarHBondContact O-N 2.91Å; N108-T111 WeakPolarHBondContact O-CB 3.44Å; N108-T111 PolarHBondContact O-N 3.37Å; N108-T111 VanDerWaalsContact O-N 3.12Å; N108-F112 HydrophobicContact CB-CE2 4.4Å; N108-F112 WeakPolarHBondContact O-CD2 3.5Å; N108-F112 PolarHBondContact O-N 2.96Å |
| 109 | R | 82.1 | Confident | 85.9 | Confident | 136 Ų | 136 | 46.9 Ų | 46.9 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56 | -40.1 | 175 | -72.3 | 173.6 | -177.1 | -163.3 | 7.6 | 111.7 | E105 L107 F113 | E105-R109 VanDerWaalsContact O-CG 3.3Å; E105-R109 WeakPolarHBondContact O-CG 3.42Å; E105-R109 PolarHBondContact O-N 3.44Å; E105-R109 IonicContact OE1-CZ 2.88Å; E105-R109 IonicContact OE1-NE 2.69Å; E105-R109 PolarHBondContact OE1-NE 3.28Å; E105-R109 IonicContact OE1-NH2 2.65Å; E105-R109 PolarHBondContact OE1-NH2 3.4Å; E105-R109 IonicContact OE2-NH2 3.57Å; L107-R109 PolarHBondContact O-N 2.81Å; R109-F113 PolarHBondContact O-N 2.95Å; R109-F113 VanDerWaalsContact O-N 3.16Å |
| 110 | R | 85 | Confident | 86.3 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 11% | 0.109 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.1 | -41.7 | 175.4 | 178.8 | -171.8 | 170.8 | 68 | 39.4 | 112.1 | L43 Q46 H63 K106 L107 N108 F112 F113 V114 | L43-R110 HydrophobicContact CD1-CB 4.39Å; L43-R110 PolarHBondContact O-NH1 2.88Å; Q46-R110 VanDerWaalsContact O-CZ 3.23Å; Q46-R110 PolarHBondContact O-NH1 3.3Å; Q46-R110 PolarHBondContact O-NH2 3.37Å; H63-R110 PolarHBondContact ND1-NE 2.61Å; K106-R110 WeakPolarHBondContact O-CB 3.47Å; K106-R110 PolarHBondContact O-N 2.87Å; K106-R110 VanDerWaalsContact O-N 3.14Å; L107-R110 CarbonylContact O-C 3.57Å; L107-R110 WeakPolarHBondContact O-CA 3.39Å; L107-R110 VanDerWaalsContact O-CB 3.31Å; L107-R110 WeakPolarHBondContact O-CB 3.49Å; L107-R110 PolarHBondContact O-N 3.27Å; L107-R110 VanDerWaalsContact O-N 3.07Å; N108-R110 PolarHBondContact O-N 2.91Å; R110-F112 PolarHBondContact O-N 3.32Å; R110-F113 WeakPolarHBondContact O-CB 3.49Å; R110-F113 PolarHBondContact O-N 3Å; R110-V114 WeakPolarHBondContact O-CG2 3.27Å; R110-V114 PolarHBondContact O-N 3Å |
| 111 | T | 85.5 | Confident | 86.6 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 17% | 0.172 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -47.9 | 174 | -50.1 | 0 | 0 | 0 | 0 | 111.2 | H63 E67 L107 N108 F113 V114 V115 | H63-T111 WeakPolarHBondContact NE2-CA 3.3Å; H63-T111 PolarHBondContact NE2-OG1 3.32Å; E67-T111 WeakPolarHBondContact OE1-CB 3.17Å; E67-T111 WeakPolarHBondContact OE1-CG2 3.44Å; E67-T111 PolarHBondContact OE1-OG1 3.29Å; L107-T111 PolarHBondContact O-N 2.79Å; L107-T111 PolarHBondContact O-OG1 2.9Å; N108-T111 WeakPolarHBondContact O-CB 3.44Å; N108-T111 PolarHBondContact O-N 3.37Å; N108-T111 VanDerWaalsContact O-N 3.12Å; T111-F113 VanDerWaalsContact C-N 3.34Å; T111-F113 PolarHBondContact O-N 3.38Å; T111-V114 PolarHBondContact O-N 3.07Å; T111-V115 HydrophobicContact CG2-CG2 4.27Å; T111-V115 WeakPolarHBondContact O-CB 3.48Å; T111-V115 VanDerWaalsContact O-CG2 3.31Å; T111-V115 WeakPolarHBondContact O-CG2 3.25Å; T111-V115 PolarHBondContact O-N 2.66Å |
| 112 | F | 84.6 | Confident | 87 | Confident | 129 Ų | 129 | 47 Ų | 47 | 57% | 0.566 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -59.7 | -42.4 | 176.5 | -72.5 | -61.8 | 0 | 0 | 0 | 112.3 | N108 R110 S116 I180 | N108-F112 HydrophobicContact CB-CE2 4.4Å; N108-F112 WeakPolarHBondContact O-CD2 3.5Å; N108-F112 PolarHBondContact O-N 2.96Å; R110-F112 PolarHBondContact O-N 3.32Å; F112-S116 VanDerWaalsContact O-CB 3.25Å; F112-S116 WeakPolarHBondContact O-CB 3.36Å; F112-S116 PolarHBondContact O-N 3.07Å; F112-S116 PolarHBondContact O-OG 3.39Å; F112-I180 HydrophobicContact CB-CD1 3.95Å; F112-I180 HydrophobicContact CB-CG1 4.36Å |
| 113 | F | 87.5 | Confident | 87.2 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -50.5 | 175.1 | 179 | -109.7 | 0 | 0 | 0 | 112.4 | K49 R109 R110 T111 S116 C117 L177 I180 L181 Y188 | K49-F113 HydrophobicContact CB-CZ 4.29Å; K49-F113 HydrophobicContact CG-CZ 4.16Å; R109-F113 PolarHBondContact O-N 2.95Å; R109-F113 VanDerWaalsContact O-N 3.16Å; R110-F113 WeakPolarHBondContact O-CB 3.49Å; R110-F113 PolarHBondContact O-N 3Å; T111-F113 VanDerWaalsContact C-N 3.34Å; T111-F113 PolarHBondContact O-N 3.38Å; F113-S116 PolarHBondContact O-N 3.15Å; F113-C117 VanDerWaalsContact CE2-SG 3.53Å; F113-C117 WeakPolarHBondContact O-CB 3.42Å; F113-C117 PolarHBondContact O-N 2.93Å; F113-C117 PolarHBondContact O-SG 2.84Å; F113-L177 HydrophobicContact CD2-CD2 4.19Å; F113-L177 HydrophobicContact CE2-CD2 4.34Å; F113-I180 HydrophobicContact CB-CG2 3.76Å; F113-I180 HydrophobicContact CD2-CG2 4.01Å; F113-I180 HydrophobicContact CG-CG2 4.37Å; F113-L181 HydrophobicContact CD2-CD2 4.24Å; F113-L181 HydrophobicContact CE2-CD1 4.41Å; F113-L181 HydrophobicContact CE2-CD2 3.77Å; F113-L181 HydrophobicContact CE2-CG 4.22Å; F113-Y188 HydrophobicContact CE2-CD1 4.41Å; F113-Y188 AromaticContact CE2-CE1 3.76Å; F113-Y188 HydrophobicContact CE2-CE1 3.76Å; F113-Y188 HydrophobicContact CZ-CD1 4.4Å; F113-Y188 AromaticContact CZ-CE1 3.7Å; F113-Y188 HydrophobicContact CZ-CE1 3.7Å |
| 114 | V | 87.2 | Confident | 87.2 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | -177.4 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | I59 R60 H63 R110 T111 Y118 | I59-V114 HydrophobicContact CG2-CG1 4.21Å; I59-V114 HydrophobicContact CG2-CG2 4.01Å; R60-V114 HydrophobicContact CB-CG1 4.07Å; H63-V114 HydrophobicContact CB-CG1 4.06Å; H63-V114 HydrophobicContact CB-CG2 4.35Å; R110-V114 WeakPolarHBondContact O-CG2 3.27Å; R110-V114 PolarHBondContact O-N 3Å; T111-V114 PolarHBondContact O-N 3.07Å; V114-Y118 WeakPolarHBondContact O-CB 3.27Å; V114-Y118 PolarHBondContact O-N 2.88Å; V114-Y118 VanDerWaalsContact O-N 3.11Å |
| 115 | V | 87.3 | Confident | 87.4 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.4 | -45.6 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | T111 C117 Y118 T119 | T111-V115 HydrophobicContact CG2-CG2 4.27Å; T111-V115 WeakPolarHBondContact O-CB 3.48Å; T111-V115 VanDerWaalsContact O-CG2 3.31Å; T111-V115 WeakPolarHBondContact O-CG2 3.25Å; T111-V115 PolarHBondContact O-N 2.66Å; V115-C117 PolarHBondContact O-N 3.17Å; V115-Y118 WeakPolarHBondContact O-CB 3.27Å; V115-Y118 PolarHBondContact O-N 3.41Å; V115-Y118 VanDerWaalsContact O-N 3.17Å; V115-T119 PolarHBondContact O-N 2.98Å; V115-T119 PolarHBondContact O-OG1 3.46Å; V115-T119 VanDerWaalsContact O-OG1 3.12Å |
| 116 | S | 87.9 | Confident | 87.8 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.6 | -31.9 | -178 | -52.1 | 0 | 0 | 0 | 0 | 112.6 | F112 F113 T119 Y120 I180 | F112-S116 VanDerWaalsContact O-CB 3.25Å; F112-S116 WeakPolarHBondContact O-CB 3.36Å; F112-S116 PolarHBondContact O-N 3.07Å; F112-S116 PolarHBondContact O-OG 3.39Å; F113-S116 PolarHBondContact O-N 3.15Å; S116-T119 VanDerWaalsContact CA-OG1 3.28Å; S116-T119 WeakPolarHBondContact CA-OG1 3.42Å; S116-T119 PolarHBondContact O-OG1 2.71Å; S116-Y120 VanDerWaalsContact O-CB 3.23Å; S116-Y120 WeakPolarHBondContact O-CB 3.5Å; S116-Y120 PolarHBondContact O-N 3.04Å; S116-I180 WeakPolarHBondContact OG-CD1 3.19Å |
| 117 | C | 88.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.8 | -42.2 | 169.8 | -69.2 | 0 | 0 | 0 | 0 | 111.5 | P50 F113 V115 Y120 F121 Y188 | P50-C117 HydrophobicContact CG-CB 3.59Å; F113-C117 VanDerWaalsContact CE2-SG 3.53Å; F113-C117 WeakPolarHBondContact O-CB 3.42Å; F113-C117 PolarHBondContact O-N 2.93Å; F113-C117 PolarHBondContact O-SG 2.84Å; V115-C117 PolarHBondContact O-N 3.17Å; C117-Y120 PolarHBondContact O-N 3.04Å; C117-F121 VanDerWaalsContact O-CD2 3.28Å; C117-F121 WeakPolarHBondContact O-CD2 3.32Å; C117-F121 PolarHBondContact O-N 3.45Å; C117-Y188 PolarHBondContact SG-OH 3.46Å; C117-Y188 VanDerWaalsContact SG-OH 3.36Å |
| 118 | Y | 91.9 | Very high | 88 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 17% | 0.169 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 178.5 | 175.4 | -88.2 | 0 | 0 | 0 | 112.6 | F53 C57 R60 V114 V115 R122 | F53-Y118 HydrophobicContact CD2-CE2 4.39Å; F53-Y118 HydrophobicContact CE2-CD2 4.02Å; F53-Y118 AromaticContact CE2-CE2 3.46Å; F53-Y118 HydrophobicContact CE2-CE2 3.46Å; F53-Y118 VanDerWaalsContact CE2-CE2 3.46Å; F53-Y118 AromaticContact CE2-CZ 3.74Å; F53-Y118 HydrophobicContact CZ-CE2 4.01Å; C57-Y118 HydrophobicContact CB-CE2 4.22Å; R60-Y118 HydrophobicContact CB-CD2 4.32Å; V114-Y118 WeakPolarHBondContact O-CB 3.27Å; V114-Y118 PolarHBondContact O-N 2.88Å; V114-Y118 VanDerWaalsContact O-N 3.11Å; V115-Y118 WeakPolarHBondContact O-CB 3.27Å; V115-Y118 PolarHBondContact O-N 3.41Å; V115-Y118 VanDerWaalsContact O-N 3.17Å; Y118-R122 WeakPolarHBondContact O-CB 3.49Å; Y118-R122 PolarHBondContact O-N 2.79Å; Y118-R122 VanDerWaalsContact O-N 3.12Å |
| 119 | T | 89.9 | Confident | 88.3 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 24% | 0.239 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67 | -45.3 | 174.6 | 46.1 | 0 | 0 | 0 | 0 | 111.6 | V115 S116 R122 L123 E173 | V115-T119 PolarHBondContact O-N 2.98Å; V115-T119 PolarHBondContact O-OG1 3.46Å; V115-T119 VanDerWaalsContact O-OG1 3.12Å; S116-T119 VanDerWaalsContact CA-OG1 3.28Å; S116-T119 WeakPolarHBondContact CA-OG1 3.42Å; S116-T119 PolarHBondContact O-OG1 2.71Å; T119-R122 PolarHBondContact O-N 2.95Å; T119-L123 WeakPolarHBondContact O-CB 3.23Å; T119-L123 WeakPolarHBondContact O-CD1 3.27Å; T119-L123 VanDerWaalsContact O-CG 3.29Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.48Å; T119-E173 WeakPolarHBondContact CB-OE2 2.97Å; T119-E173 PolarHBondContact OG1-OE2 3.39Å |
| 120 | Y | 93.1 | Very high | 88.4 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.8 | -58.1 | 175.8 | 176.3 | -84.6 | 0 | 0 | 0 | 111.7 | S116 C117 R122 L123 V124 L170 L174 L177 L192 F196 | S116-Y120 VanDerWaalsContact O-CB 3.23Å; S116-Y120 WeakPolarHBondContact O-CB 3.5Å; S116-Y120 PolarHBondContact O-N 3.04Å; C117-Y120 PolarHBondContact O-N 3.04Å; Y120-R122 VanDerWaalsContact C-N 3.3Å; Y120-R122 PolarHBondContact O-N 3.3Å; Y120-L123 PolarHBondContact O-N 3.27Å; Y120-V124 HydrophobicContact CD1-CG2 4.39Å; Y120-V124 HydrophobicContact CE1-CG2 3.91Å; Y120-V124 PolarHBondContact O-N 3.41Å; Y120-V124 VanDerWaalsContact O-N 3.11Å; Y120-L170 HydrophobicContact CD1-CD1 4.43Å; Y120-L170 HydrophobicContact CD2-CD1 3.48Å; Y120-L170 VanDerWaalsContact CD2-CD1 3.48Å; Y120-L170 HydrophobicContact CD2-CG 4.31Å; Y120-L170 HydrophobicContact CE1-CD1 4.48Å; Y120-L170 HydrophobicContact CE2-CD1 3.59Å; Y120-L170 HydrophobicContact CE2-CG 4.08Å; Y120-L170 HydrophobicContact CG-CD1 3.92Å; Y120-L170 VanDerWaalsContact O-CD1 3.27Å; Y120-L170 WeakPolarHBondContact O-CD1 3.41Å; Y120-L174 HydrophobicContact CD2-CB 4.36Å; Y120-L174 HydrophobicContact CE2-CB 4.25Å; Y120-L174 HydrophobicContact CE2-CD1 4.16Å; Y120-L177 HydrophobicContact CD2-CD1 4.16Å; Y120-L177 HydrophobicContact CG-CD1 4Å; Y120-L192 HydrophobicContact CD1-CD2 3.73Å; Y120-L192 HydrophobicContact CE1-CD2 3.55Å; Y120-L192 HydrophobicContact CG-CD2 4.35Å; Y120-L192 PolarHBondContact OH-O 3.28Å; Y120-F196 HydrophobicContact CE2-CB 4.49Å; Y120-F196 PolarHBondContact OH-N 2.92Å; Y120-F196 VanDerWaalsContact OH-N 3.13Å |
| 121 | F | 91.8 | Very high | 88.4 | Confident | 26 Ų | 26 | 41.3 Ų | 41.3 | 11% | 0.114 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -30.5 | -176.8 | -76.8 | -68 | 0 | 0 | 0 | 113.2 | P50 Y51 F53 A56 C117 V124 E125 L192 | P50-F121 HydrophobicContact CB-CD2 4.37Å; P50-F121 HydrophobicContact CB-CE2 4.17Å; P50-F121 HydrophobicContact CG-CD2 4.2Å; P50-F121 HydrophobicContact CG-CE2 3.97Å; P50-F121 WeakPolarHBondContact O-CE2 3.13Å; P50-F121 WeakPolarHBondContact O-CZ 3.16Å; Y51-F121 VanDerWaalsContact C-CE1 3.49Å; Y51-F121 WeakPolarHBondContact O-CE1 3.38Å; F53-F121 HydrophobicContact CB-CB 4.09Å; F53-F121 HydrophobicContact CD2-CB 4.49Å; A56-F121 HydrophobicContact CB-CB 4.37Å; A56-F121 HydrophobicContact CB-CD2 4.09Å; C117-F121 VanDerWaalsContact O-CD2 3.28Å; C117-F121 WeakPolarHBondContact O-CD2 3.32Å; C117-F121 PolarHBondContact O-N 3.45Å; F121-V124 PolarHBondContact O-N 3.03Å; F121-E125 PolarHBondContact O-N 3.05Å; F121-L192 HydrophobicContact CE2-CD2 4.11Å; F121-L192 HydrophobicContact CZ-CD2 3.9Å |
| 122 | R | 91.1 | Very high | 88.3 | Confident | 99 Ų | 99 | 42.3 Ų | 42.3 | 37% | 0.374 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64 | -40.6 | 171.2 | -176.9 | -179.6 | 166.4 | -154.7 | -7.6 | 112 | F53 Y118 T119 Y120 V124 E125 E126 | F53-R122 HydrophobicContact CD2-CB 3.92Å; F53-R122 HydrophobicContact CE2-CB 3.66Å; F53-R122 HydrophobicContact CE2-CG 4.08Å; F53-R122 HydrophobicContact CZ-CB 4.48Å; F53-R122 HydrophobicContact CZ-CG 4.44Å; Y118-R122 WeakPolarHBondContact O-CB 3.49Å; Y118-R122 PolarHBondContact O-N 2.79Å; Y118-R122 VanDerWaalsContact O-N 3.12Å; T119-R122 PolarHBondContact O-N 2.95Å; Y120-R122 VanDerWaalsContact C-N 3.3Å; Y120-R122 PolarHBondContact O-N 3.3Å; R122-V124 VanDerWaalsContact C-N 3.34Å; R122-E125 PolarHBondContact O-N 2.9Å; R122-E126 HydrophobicContact CG-CG 4.26Å; R122-E126 IonicContact CZ-OE1 3.35Å; R122-E126 IonicContact NE-OE1 3.1Å; R122-E126 PolarHBondContact NE-OE1 3.4Å; R122-E126 IonicContact NE-OE2 2.94Å; R122-E126 IonicContact NH2-OE1 3.34Å; R122-E126 PolarHBondContact NH2-OE1 2.66Å; R122-E126 IonicContact NH2-OE2 2.7Å; R122-E126 WeakPolarHBondContact O-CB 3.38Å; R122-E126 WeakPolarHBondContact O-CG 3.37Å; R122-E126 PolarHBondContact O-N 3.19Å |
| 123 | L | 90.7 | Very high | 88.1 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.9 | -31.2 | 179.9 | -73.5 | 164.1 | 0 | 0 | 0 | 112.2 | T119 Y120 L127 L170 E173 | T119-L123 WeakPolarHBondContact O-CB 3.23Å; T119-L123 WeakPolarHBondContact O-CD1 3.27Å; T119-L123 VanDerWaalsContact O-CG 3.29Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.48Å; Y120-L123 PolarHBondContact O-N 3.27Å; L123-L127 VanDerWaalsContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 PolarHBondContact O-N 3.17Å; L123-L170 HydrophobicContact CB-CB 4.26Å; L123-L170 HydrophobicContact CB-CD1 3.83Å; L123-E173 HydrophobicContact CD1-CG 4.06Å |
| 124 | V | 89.2 | Confident | 87.5 | Confident | 28 Ų | 28 | 40 Ų | 40 | 17% | 0.17 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -49.3 | 168.7 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | Y120 F121 R122 L127 W128 L170 | Y120-V124 HydrophobicContact CD1-CG2 4.39Å; Y120-V124 HydrophobicContact CE1-CG2 3.91Å; Y120-V124 PolarHBondContact O-N 3.41Å; Y120-V124 VanDerWaalsContact O-N 3.11Å; F121-V124 PolarHBondContact O-N 3.03Å; R122-V124 VanDerWaalsContact C-N 3.34Å; V124-L127 PolarHBondContact O-N 2.88Å; V124-W128 VanDerWaalsContact O-CD1 3.32Å; V124-W128 PolarHBondContact O-N 3.04Å; V124-L170 HydrophobicContact CG2-CD1 3.65Å; V124-L170 HydrophobicContact CG2-CD2 3.93Å; V124-L170 HydrophobicContact CG2-CG 4.47Å |
| 125 | E | 89 | Confident | 86.9 | Confident | 89 Ų | 89 | 45.5 Ų | 45.5 | 42% | 0.416 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 178.4 | -174.2 | -180 | -110 | 0 | 0 | 112 | F53 F121 R122 L127 W128 N129 | F53-E125 WeakPolarHBondContact CD1-OE2 3.25Å; F53-E125 WeakPolarHBondContact CE1-OE2 3.45Å; F121-E125 PolarHBondContact O-N 3.05Å; R122-E125 PolarHBondContact O-N 2.9Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 2.92Å; E125-W128 PolarHBondContact O-N 3.41Å; E125-N129 PolarHBondContact O-N 3.35Å; E125-N129 VanDerWaalsContact O-N 3.16Å; E125-N129 PolarHBondContact O-ND2 2.9Å |
| 126 | E | 88.7 | Confident | 86.3 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 15% | 0.15 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -30.6 | 178.1 | -71.8 | -178.3 | 162.4 | 0 | 0 | 112.5 | R122 I130 R166 | R122-E126 HydrophobicContact CG-CG 4.26Å; R122-E126 IonicContact CZ-OE1 3.35Å; R122-E126 IonicContact NE-OE1 3.1Å; R122-E126 PolarHBondContact NE-OE1 3.4Å; R122-E126 IonicContact NE-OE2 2.94Å; R122-E126 IonicContact NH2-OE1 3.34Å; R122-E126 PolarHBondContact NH2-OE1 2.66Å; R122-E126 IonicContact NH2-OE2 2.7Å; R122-E126 WeakPolarHBondContact O-CB 3.38Å; R122-E126 WeakPolarHBondContact O-CG 3.37Å; R122-E126 PolarHBondContact O-N 3.19Å; E126-I130 WeakPolarHBondContact O-CD1 3.24Å; E126-I130 VanDerWaalsContact O-CG1 3.3Å; E126-I130 WeakPolarHBondContact O-CG1 3.49Å; E126-R166 IonicContact OE1-NH2 2.74Å; E126-R166 IonicContact OE2-CZ 3.97Å; E126-R166 IonicContact OE2-NH1 2.78Å; E126-R166 PolarHBondContact OE2-NH1 2.77Å; E126-R166 IonicContact OE2-NH2 3.4Å; E126-R166 PolarHBondContact OE2-NH2 2.79Å |
| 127 | L | 89.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.1 | -49.4 | 171.8 | 178.9 | 68.4 | 0 | 0 | 0 | 111.9 | L123 V124 E125 N129 I130 L131 C163 R166 L167 A199 A203 | L123-L127 VanDerWaalsContact O-CB 3.29Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 PolarHBondContact O-N 3.17Å; V124-L127 PolarHBondContact O-N 2.88Å; E125-L127 VanDerWaalsContact C-N 3.3Å; E125-L127 PolarHBondContact O-N 2.92Å; L127-N129 VanDerWaalsContact C-N 3.28Å; L127-N129 PolarHBondContact O-N 2.94Å; L127-I130 PolarHBondContact O-N 3.06Å; L127-I130 VanDerWaalsContact O-N 3.08Å; L127-L131 HydrophobicContact CD1-CG 4.46Å; L127-L131 HydrophobicContact CG-CD1 4.1Å; L127-L131 HydrophobicContact CG-CG 4.43Å; L127-L131 WeakPolarHBondContact O-CG 3.27Å; L127-L131 PolarHBondContact O-N 3.36Å; L127-C163 HydrophobicContact CD1-CB 4.26Å; L127-R166 HydrophobicContact CB-CB 4.25Å; L127-R166 HydrophobicContact CD1-CB 4.01Å; L127-L167 HydrophobicContact CD1-CG 4.38Å; L127-L167 HydrophobicContact CD2-CD2 3.7Å; L127-L167 HydrophobicContact CD2-CG 4.43Å; L127-A199 HydrophobicContact CD2-CB 3.85Å; L127-A203 HydrophobicContact CD1-CB 4.26Å; L127-A203 HydrophobicContact CD2-CB 4.36Å |
| 128 | W | 85.4 | Confident | 84.3 | Confident | 111 Ų | 111 | 53.7 Ų | 53.7 | 42% | 0.42 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.2 | -39.2 | -179.3 | -88.3 | 108.2 | 0 | 0 | 0 | 112.8 | V124 E125 I130 L131 E132 A202 | V124-W128 VanDerWaalsContact O-CD1 3.32Å; V124-W128 PolarHBondContact O-N 3.04Å; E125-W128 PolarHBondContact O-N 3.41Å; W128-I130 PolarHBondContact O-N 2.86Å; W128-L131 HydrophobicContact CE3-CD1 4.42Å; W128-L131 PolarHBondContact O-N 3.17Å; W128-E132 PolarHBondContact O-N 3.34Å; W128-A202 HydrophobicContact CH2-CB 3.91Å; W128-A202 HydrophobicContact CZ2-CB 4.19Å |
| 129 | N | 87.9 | Confident | 83.1 | Confident | 88 Ų | 88 | 58.7 Ų | 58.7 | 47% | 0.471 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 175 | -76.7 | -68.5 | 0 | 0 | 0 | 112.6 | E125 L127 E132 E133 | E125-N129 PolarHBondContact O-N 3.35Å; E125-N129 VanDerWaalsContact O-N 3.16Å; E125-N129 PolarHBondContact O-ND2 2.9Å; L127-N129 VanDerWaalsContact C-N 3.28Å; L127-N129 PolarHBondContact O-N 2.94Å; N129-E132 PolarHBondContact O-N 2.86Å; N129-E133 PolarHBondContact O-N 2.99Å; N129-E133 VanDerWaalsContact O-N 3.1Å |
| 130 | I | 85.4 | Confident | 81.7 | Confident | 19 Ų | 19 | 63 Ų | 63 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 177.7 | -60.4 | 156.8 | 0 | 0 | 0 | 110.6 | E126 L127 W128 E132 E133 L134 K162 C163 R166 | E126-I130 WeakPolarHBondContact O-CD1 3.24Å; E126-I130 VanDerWaalsContact O-CG1 3.3Å; E126-I130 WeakPolarHBondContact O-CG1 3.49Å; L127-I130 PolarHBondContact O-N 3.06Å; L127-I130 VanDerWaalsContact O-N 3.08Å; W128-I130 PolarHBondContact O-N 2.86Å; I130-E132 VanDerWaalsContact C-N 3.3Å; I130-E132 PolarHBondContact O-N 2.82Å; I130-E133 PolarHBondContact O-N 3.04Å; I130-L134 HydrophobicContact CG2-CD1 3.97Å; I130-L134 WeakPolarHBondContact O-CB 3.43Å; I130-L134 WeakPolarHBondContact O-CG 3.41Å; I130-L134 PolarHBondContact O-N 2.86Å; I130-K162 HydrophobicContact CD1-CB 4.12Å; I130-K162 HydrophobicContact CG2-CB 3.93Å; I130-C163 VanDerWaalsContact CG2-SG 3.52Å; I130-R166 HydrophobicContact CD1-CG 3.49Å; I130-R166 VanDerWaalsContact CD1-CG 3.49Å |
| 131 | L | 84.6 | Confident | 80 | Confident | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -36.8 | 176.5 | -63.4 | 174.7 | 0 | 0 | 0 | 111.9 | L127 W128 L134 Q135 C163 A202 A203 A206 | L127-L131 HydrophobicContact CD1-CG 4.46Å; L127-L131 HydrophobicContact CG-CD1 4.1Å; L127-L131 HydrophobicContact CG-CG 4.43Å; L127-L131 WeakPolarHBondContact O-CG 3.27Å; L127-L131 PolarHBondContact O-N 3.36Å; W128-L131 HydrophobicContact CE3-CD1 4.42Å; W128-L131 PolarHBondContact O-N 3.17Å; L131-L134 PolarHBondContact O-N 3.28Å; L131-Q135 WeakPolarHBondContact O-CB 3.48Å; L131-Q135 PolarHBondContact O-N 3.38Å; L131-C163 VanDerWaalsContact CD2-SG 3.59Å; L131-A202 HydrophobicContact CD1-CB 4.18Å; L131-A203 HydrophobicContact CD1-CB 4.29Å; L131-A203 HydrophobicContact CD2-CB 4.11Å; L131-A206 HydrophobicContact CD2-CB 3.75Å |
| 132 | E | 83 | Confident | 78.2 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 23% | 0.229 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 176.6 | -154.7 | -166.4 | 128.5 | 0 | 0 | 113 | W128 N129 I130 Q135 K136 Y997 | W128-E132 PolarHBondContact O-N 3.34Å; N129-E132 PolarHBondContact O-N 2.86Å; I130-E132 VanDerWaalsContact C-N 3.3Å; I130-E132 PolarHBondContact O-N 2.82Å; E132-Q135 PolarHBondContact O-N 2.93Å; E132-K136 WeakPolarHBondContact O-CD 3.41Å; E132-K136 WeakPolarHBondContact O-CG 3.45Å; E132-K136 PolarHBondContact O-N 3.38Å; E132-K136 WeakPolarHBondContact OE1-CE 3.49Å; E132-K136 IonicContact OE1-NZ 3.58Å; E132-K136 PolarHBondContact OE1-NZ 2.8Å; E132-Y997 WeakPolarHBondContact OE1-CD2 3.37Å; E132-Y997 WeakPolarHBondContact OE2-CD2 3.38Å; E132-Y997 WeakPolarHBondContact OE2-CE2 3.49Å |
| 133 | E | 79.6 | Confident | 76.5 | Confident | 107 Ų | 107 | 66.5 Ų | 66.5 | 50% | 0.5 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 170.9 | -73.6 | -159 | 139.6 | 0 | 0 | 111.9 | N129 I130 K136 R137 | N129-E133 PolarHBondContact O-N 2.99Å; N129-E133 VanDerWaalsContact O-N 3.1Å; I130-E133 PolarHBondContact O-N 3.04Å; E133-K136 PolarHBondContact O-N 3.18Å; E133-R137 WeakPolarHBondContact O-CG 3.43Å; E133-R137 PolarHBondContact O-N 3.45Å |
| 134 | L | 75.2 | Confident | 75.2 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 177 | -79.6 | 167.7 | 0 | 0 | 0 | 112.5 | I130 L131 K136 R137 E138 C163 L210 | I130-L134 HydrophobicContact CG2-CD1 3.97Å; I130-L134 WeakPolarHBondContact O-CB 3.43Å; I130-L134 WeakPolarHBondContact O-CG 3.41Å; I130-L134 PolarHBondContact O-N 2.86Å; L131-L134 PolarHBondContact O-N 3.28Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 3.05Å; L134-R137 PolarHBondContact O-N 3.21Å; L134-E138 PolarHBondContact O-N 2.78Å; L134-C163 WeakPolarHBondContact CD1-SG 3.5Å; L134-L210 HydrophobicContact CB-CD1 3.86Å; L134-L210 HydrophobicContact CB-CD2 4.22Å; L134-L210 HydrophobicContact CD1-CD1 3.65Å; L134-L210 HydrophobicContact CD2-CD1 3.69Å; L134-L210 HydrophobicContact CD2-CD2 4.08Å; L134-L210 HydrophobicContact CG-CD1 3.93Å |
| 135 | Q | 74.5 | Confident | 74.1 | Confident | 121 Ų | 121 | 72 Ų | 72 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -71.6 | -17.5 | 179.3 | -161.6 | -179.9 | 53.3 | 0 | 0 | 113.6 | L131 E132 | L131-Q135 WeakPolarHBondContact O-CB 3.48Å; L131-Q135 PolarHBondContact O-N 3.38Å; E132-Q135 PolarHBondContact O-N 2.93Å |
| 136 | K | 75.5 | Confident | 73.1 | Confident | 100 Ų | 100 | 69 Ų | 69 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -77.2 | -56.3 | 166.4 | -68.4 | 159.9 | -171.4 | 162 | 0 | 109.8 | E132 E133 L134 E138 K139 | E132-K136 WeakPolarHBondContact O-CD 3.41Å; E132-K136 WeakPolarHBondContact O-CG 3.45Å; E132-K136 PolarHBondContact O-N 3.38Å; E132-K136 WeakPolarHBondContact OE1-CE 3.49Å; E132-K136 IonicContact OE1-NZ 3.58Å; E132-K136 PolarHBondContact OE1-NZ 2.8Å; E133-K136 PolarHBondContact O-N 3.18Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 3.05Å; K136-E138 VanDerWaalsContact C-N 3.26Å; K136-E138 PolarHBondContact O-N 3.05Å; K136-K139 PolarHBondContact O-N 2.86Å |
| 137 | R | 68.3 | Low | 72.4 | Confident | 89 Ų | 89 | 71.6 Ų | 71.6 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -57.7 | -30.6 | -178.5 | -74.4 | 171.3 | 159.8 | -134.2 | -20.7 | 114.5 | E133 L134 K139 E140 D155 | E133-R137 WeakPolarHBondContact O-CG 3.43Å; E133-R137 PolarHBondContact O-N 3.45Å; L134-R137 PolarHBondContact O-N 3.21Å; R137-K139 PolarHBondContact O-N 3.01Å; R137-K139 VanDerWaalsContact O-N 3.1Å; R137-E140 PolarHBondContact O-N 2.85Å; R137-D155 IonicContact CZ-OD1 2.64Å; R137-D155 VanDerWaalsContact NH1-CB 3.34Å; R137-D155 VanDerWaalsContact NH1-CG 3.32Å; R137-D155 IonicContact NH1-OD1 2.66Å; R137-D155 PolarHBondContact NH1-OD1 3.16Å; R137-D155 IonicContact NH2-OD1 3.03Å; R137-D155 PolarHBondContact NH2-OD1 3.2Å |
| 138 | E | 66.6 | Low | 71.6 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 21% | 0.206 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -31.6 | 175.1 | -176.5 | 175.5 | -136.2 | 0 | 0 | 113.1 | L134 K136 S209 L210 R213 | L134-E138 PolarHBondContact O-N 2.78Å; K136-E138 VanDerWaalsContact C-N 3.26Å; K136-E138 PolarHBondContact O-N 3.05Å; E138-S209 WeakPolarHBondContact OE1-CB 3.47Å; E138-S209 PolarHBondContact OE1-OG 2.94Å; E138-L210 HydrophobicContact CB-CD2 4.3Å; E138-R213 HydrophobicContact CG-CG 4.34Å; E138-R213 PolarHBondContact O-NE 2.86Å; E138-R213 PolarHBondContact O-NH2 2.99Å |
| 139 | K | 65.9 | Low | 71.2 | Confident | 148 Ų | 148 | 68 Ų | 68 | 64% | 0.643 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -20.8 | -175.7 | -63.5 | 166.2 | -173.8 | 159.1 | 0 | 113.5 | K136 R137 V141 | K136-K139 PolarHBondContact O-N 2.86Å; R137-K139 PolarHBondContact O-N 3.01Å; R137-K139 VanDerWaalsContact O-N 3.1Å; K139-V141 PolarHBondContact O-N 3.38Å |
| 140 | E | 60.9 | Low | 70.7 | Confident | 129 Ų | 129 | 70.2 Ų | 70.2 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | trans | -91 | 83.9 | -168.7 | -67.8 | 171.7 | 167 | 0 | 0 | 111.7 | R137 | R137-E140 PolarHBondContact O-N 2.85Š| ||
| 141 | V | 57.8 | Low | 70.4 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | trans | -140.8 | 77.2 | 166 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | K139 T143 A152 L217 | K139-V141 PolarHBondContact O-N 3.38Å; V141-T143 VanDerWaalsContact C-N 3.31Å; V141-T143 PolarHBondContact O-N 2.91Å; V141-A152 HydrophobicContact CG2-CB 3.92Å; V141-L217 HydrophobicContact CG1-CD2 4.47Å; V141-L217 HydrophobicContact CG2-CD2 4.37Å | ||
| 142 | D | 52.6 | Low | 70.1 | Confident | 111 Ų | 111 | 72.4 Ų | 72.4 | 59% | 0.594 | 36% | 0.358 | S | S | * | . | trans | -71.3 | -24.1 | -173.6 | -70.8 | -10.3 | 0 | 0 | 0 | 113.3 | Y2249 | D142-Y2249 PolarHBondContact O-OH 2.55Š| ||
| 143 | T | 55.8 | Low | 70.2 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | trans | -127.5 | 132.3 | 176.2 | 54 | 0 | 0 | 0 | 0 | 111.7 | V141 D145 S148 | V141-T143 VanDerWaalsContact C-N 3.31Å; V141-T143 PolarHBondContact O-N 2.91Å; T143-D145 VanDerWaalsContact CB-OD2 3.27Å; T143-D145 WeakPolarHBondContact CB-OD2 3.3Å; T143-D145 PolarHBondContact O-N 2.81Å; T143-D145 PolarHBondContact OG1-OD2 3.22Å; T143-S148 WeakPolarHBondContact O-CB 3.44Å; T143-S148 PolarHBondContact OG1-OG 2.92Å; T143-S148 VanDerWaalsContact OG1-OG 3.13Å | ||
| 144 | Y | 63.1 | Low | 70.3 | Confident | 116 Ų | 116 | 68.6 Ų | 68.6 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | trans | -86.1 | 37.8 | 176.1 | -87.5 | -83.5 | 0 | 0 | 0 | 112.4 | I149 H220 | Y144-I149 HydrophobicContact CD1-CD1 4.12Å; Y144-H220 AromaticContact CD1-CD2 3.52Å; Y144-H220 AromaticContact CE1-CD2 3.26Å; Y144-H220 WeakPolarHBondContact CE1-CD2 3.34Å; Y144-H220 AromaticContact CE1-NE2 3.59Å | ||
| 145 | D | 66.9 | Low | 70.6 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -86.2 | 158.6 | 173.1 | 73.6 | 84.5 | 0 | 0 | 0 | 111.7 | T143 T147 S148 I149 | T143-D145 VanDerWaalsContact CB-OD2 3.27Å; T143-D145 WeakPolarHBondContact CB-OD2 3.3Å; T143-D145 PolarHBondContact O-N 2.81Å; T143-D145 PolarHBondContact OG1-OD2 3.22Å; D145-T147 VanDerWaalsContact C-N 3.26Å; D145-T147 PolarHBondContact O-N 2.8Å; D145-T147 WeakPolarHBondContact OD1-CA 3.39Å; D145-T147 WeakPolarHBondContact OD1-CB 3.42Å; D145-T147 PolarHBondContact OD1-N 2.86Å; D145-T147 PolarHBondContact OD1-OG1 3.48Å; D145-S148 PolarHBondContact O-N 2.87Å; D145-S148 PolarHBondContact OD1-N 3.1Å; D145-S148 PolarHBondContact OD1-OG 2.76Å; D145-S148 WeakPolarHBondContact OD2-CB 3.39Å; D145-S148 PolarHBondContact OD2-OG 2.87Å; D145-I149 WeakPolarHBondContact O-CB 3.45Å; D145-I149 WeakPolarHBondContact O-CD1 3.25Å; D145-I149 VanDerWaalsContact O-CG1 3.28Å; D145-I149 WeakPolarHBondContact O-CG1 3.28Å; D145-I149 PolarHBondContact O-N 3.45Å |
| 146 | G | 68.5 | Low | 70.9 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -28.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K150 | G146-K150 WeakPolarHBondContact O-CB 3.45Å; G146-K150 WeakPolarHBondContact O-CD 3.37Å; G146-K150 WeakPolarHBondContact O-CG 3.3Å; G146-K150 PolarHBondContact O-N 3.49Å |
| 147 | T | 72.7 | Confident | 71.3 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -74.3 | -48.2 | 177.3 | 3.8 | 0 | 0 | 0 | 0 | 111.4 | D145 K150 N151 | D145-T147 VanDerWaalsContact C-N 3.26Å; D145-T147 PolarHBondContact O-N 2.8Å; D145-T147 WeakPolarHBondContact OD1-CA 3.39Å; D145-T147 WeakPolarHBondContact OD1-CB 3.42Å; D145-T147 PolarHBondContact OD1-N 2.86Å; D145-T147 PolarHBondContact OD1-OG1 3.48Å; T147-K150 PolarHBondContact O-N 3.12Å; T147-N151 PolarHBondContact O-N 2.67Å; T147-N151 PolarHBondContact O-ND2 2.87Å; T147-N151 PolarHBondContact O-OD1 3.39Å |
| 148 | S | 74 | Confident | 72 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 25% | 0.245 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.7 | -38.1 | -179.1 | -59 | 0 | 0 | 0 | 0 | 111.8 | T143 D145 N151 A152 | T143-S148 WeakPolarHBondContact O-CB 3.44Å; T143-S148 PolarHBondContact OG1-OG 2.92Å; T143-S148 VanDerWaalsContact OG1-OG 3.13Å; D145-S148 PolarHBondContact O-N 2.87Å; D145-S148 PolarHBondContact OD1-N 3.1Å; D145-S148 PolarHBondContact OD1-OG 2.76Å; D145-S148 WeakPolarHBondContact OD2-CB 3.39Å; D145-S148 PolarHBondContact OD2-OG 2.87Å; S148-N151 PolarHBondContact O-N 2.7Å; S148-A152 WeakPolarHBondContact O-CB 3.43Å; S148-A152 PolarHBondContact O-N 2.71Å |
| 149 | I | 76.6 | Confident | 72.7 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 171.4 | -67.8 | 164.5 | 0 | 0 | 0 | 111.1 | Y144 D145 A152 I153 L217 H220 L224 | Y144-I149 HydrophobicContact CD1-CD1 4.12Å; D145-I149 WeakPolarHBondContact O-CB 3.45Å; D145-I149 WeakPolarHBondContact O-CD1 3.25Å; D145-I149 VanDerWaalsContact O-CG1 3.28Å; D145-I149 WeakPolarHBondContact O-CG1 3.28Å; D145-I149 PolarHBondContact O-N 3.45Å; I149-A152 PolarHBondContact O-N 3.09Å; I149-I153 HydrophobicContact CG2-CD1 3.85Å; I149-I153 WeakPolarHBondContact O-CD1 3.39Å; I149-I153 VanDerWaalsContact O-CG1 3.23Å; I149-I153 WeakPolarHBondContact O-CG1 3.31Å; I149-I153 PolarHBondContact O-N 3.04Å; I149-L217 HydrophobicContact CG1-CD2 4.31Å; I149-L217 HydrophobicContact CG2-CB 4.22Å; I149-L217 HydrophobicContact CG2-CD2 4.3Å; I149-L217 WeakPolarHBondContact CG2-O 3.44Å; I149-H220 HydrophobicContact CD1-CB 4.09Å; I149-L224 HydrophobicContact CD1-CD1 3.68Å |
| 150 | K | 77.6 | Confident | 73.4 | Confident | 134 Ų | 134 | 56.9 Ų | 56.9 | 58% | 0.583 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 176.8 | -78.1 | 170.3 | -176.7 | 172.7 | 0 | 112.3 | G146 T147 S154 | G146-K150 WeakPolarHBondContact O-CB 3.45Å; G146-K150 WeakPolarHBondContact O-CD 3.37Å; G146-K150 WeakPolarHBondContact O-CG 3.3Å; G146-K150 PolarHBondContact O-N 3.49Å; T147-K150 PolarHBondContact O-N 3.12Å; K150-S154 PolarHBondContact O-N 3.31Å |
| 151 | N | 78.6 | Confident | 74.5 | Confident | 62 Ų | 62 | 56 Ų | 56 | 33% | 0.332 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.6 | -53.7 | 174.4 | -63.3 | -23.2 | 0 | 0 | 0 | 110.6 | T147 S148 I153 S154 D155 K1100 | T147-N151 PolarHBondContact O-N 2.67Å; T147-N151 PolarHBondContact O-ND2 2.87Å; T147-N151 PolarHBondContact O-OD1 3.39Å; S148-N151 PolarHBondContact O-N 2.7Å; N151-I153 VanDerWaalsContact C-N 3.29Å; N151-I153 PolarHBondContact O-N 3Å; N151-S154 WeakPolarHBondContact O-CA 3.43Å; N151-S154 WeakPolarHBondContact O-CB 3.4Å; N151-S154 PolarHBondContact O-N 3Å; N151-D155 PolarHBondContact O-N 3.26Å; N151-K1100 PolarHBondContact OD1-NZ 3.44Å |
| 152 | A | 79.3 | Confident | 75.7 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 12% | 0.124 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -35.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | V141 S148 I149 L156 L217 | V141-A152 HydrophobicContact CG2-CB 3.92Å; S148-A152 WeakPolarHBondContact O-CB 3.43Å; S148-A152 PolarHBondContact O-N 2.71Å; I149-A152 PolarHBondContact O-N 3.09Å; A152-L156 WeakPolarHBondContact O-CB 3.27Å; A152-L156 WeakPolarHBondContact O-CD1 3.22Å; A152-L156 WeakPolarHBondContact O-CG 3.31Å; A152-L156 PolarHBondContact O-N 3.36Å; A152-L217 HydrophobicContact CB-CD1 3.91Å |
| 153 | I | 83.6 | Confident | 77.3 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 172.6 | -72.8 | 161.6 | 0 | 0 | 0 | 111.4 | I149 N151 L156 E157 L217 K218 | I149-I153 HydrophobicContact CG2-CD1 3.85Å; I149-I153 WeakPolarHBondContact O-CD1 3.39Å; I149-I153 VanDerWaalsContact O-CG1 3.23Å; I149-I153 WeakPolarHBondContact O-CG1 3.31Å; I149-I153 PolarHBondContact O-N 3.04Å; N151-I153 VanDerWaalsContact C-N 3.29Å; N151-I153 PolarHBondContact O-N 3Å; I153-L156 PolarHBondContact O-N 3.44Å; I153-E157 WeakPolarHBondContact O-CB 3.33Å; I153-E157 WeakPolarHBondContact O-CG 3.5Å; I153-E157 PolarHBondContact O-N 2.53Å; I153-L217 HydrophobicContact CD1-CB 3.99Å; I153-L217 HydrophobicContact CG1-CB 3.64Å; I153-L217 HydrophobicContact CG1-CD1 4.37Å; I153-K218 HydrophobicContact CD1-CG 3.74Å; I153-K218 HydrophobicContact CG1-CG 4.21Å; I153-K218 HydrophobicContact CG2-CG 4.34Å |
| 154 | S | 82.7 | Confident | 78.5 | Confident | 62 Ų | 62 | 54.1 Ų | 54.1 | 43% | 0.434 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.5 | -44.6 | 179 | -168.6 | 0 | 0 | 0 | 0 | 111.9 | K150 N151 L156 E157 H158 | K150-S154 PolarHBondContact O-N 3.31Å; N151-S154 WeakPolarHBondContact O-CA 3.43Å; N151-S154 WeakPolarHBondContact O-CB 3.4Å; N151-S154 PolarHBondContact O-N 3Å; S154-L156 VanDerWaalsContact C-N 3.3Å; S154-L156 PolarHBondContact O-N 2.82Å; S154-E157 PolarHBondContact O-N 2.85Å; S154-E157 VanDerWaalsContact O-N 3.1Å; S154-H158 WeakPolarHBondContact O-CB 3.49Å; S154-H158 PolarHBondContact O-N 3.25Å |
| 155 | D | 80.1 | Confident | 79.5 | Confident | 58 Ų | 58 | 52.9 Ų | 52.9 | 31% | 0.31 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.6 | -34.3 | 177.8 | -82.3 | -56 | 0 | 0 | 0 | 113.1 | R137 N151 G159 | R137-D155 IonicContact CZ-OD1 2.64Å; R137-D155 VanDerWaalsContact NH1-CB 3.34Å; R137-D155 VanDerWaalsContact NH1-CG 3.32Å; R137-D155 IonicContact NH1-OD1 2.66Å; R137-D155 PolarHBondContact NH1-OD1 3.16Å; R137-D155 IonicContact NH2-OD1 3.03Å; R137-D155 PolarHBondContact NH2-OD1 3.2Å; N151-D155 PolarHBondContact O-N 3.26Å; D155-G159 PolarHBondContact O-N 3.29Å |
| 156 | L | 82.3 | Confident | 80.5 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.7 | -37.7 | 171.6 | -69 | 169.9 | 0 | 0 | 0 | 112.4 | A152 I153 S154 V160 L210 R213 K214 L217 | A152-L156 WeakPolarHBondContact O-CB 3.27Å; A152-L156 WeakPolarHBondContact O-CD1 3.22Å; A152-L156 WeakPolarHBondContact O-CG 3.31Å; A152-L156 PolarHBondContact O-N 3.36Å; I153-L156 PolarHBondContact O-N 3.44Å; S154-L156 VanDerWaalsContact C-N 3.3Å; S154-L156 PolarHBondContact O-N 2.82Å; L156-V160 WeakPolarHBondContact O-CG2 3.47Å; L156-V160 PolarHBondContact O-N 2.96Å; L156-L210 HydrophobicContact CD2-CB 4.29Å; L156-L210 HydrophobicContact CD2-CD2 3.38Å; L156-L210 HydrophobicContact CD2-CG 4.4Å; L156-R213 HydrophobicContact CD1-CB 4.28Å; L156-R213 HydrophobicContact CD1-CG 3.98Å; L156-K214 HydrophobicContact CD1-CB 4.33Å; L156-L217 HydrophobicContact CD1-CD1 3.69Å |
| 157 | E | 82.5 | Confident | 81.4 | Confident | 72 Ų | 72 | 54 Ų | 54 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.1 | -48.9 | 177.1 | -80.8 | 178.5 | 148.4 | 0 | 0 | 111.5 | I153 S154 G159 V160 E161 K214 K218 | I153-E157 WeakPolarHBondContact O-CB 3.33Å; I153-E157 WeakPolarHBondContact O-CG 3.5Å; I153-E157 PolarHBondContact O-N 2.53Å; S154-E157 PolarHBondContact O-N 2.85Å; S154-E157 VanDerWaalsContact O-N 3.1Å; E157-G159 PolarHBondContact O-N 3Å; E157-V160 PolarHBondContact O-N 3.44Å; E157-E161 PolarHBondContact O-N 2.99Å; E157-K214 HydrophobicContact CG-CD 3.98Å; E157-K214 WeakPolarHBondContact OE1-CE 3.29Å; E157-K214 IonicContact OE1-NZ 2.75Å; E157-K214 PolarHBondContact OE1-NZ 3.19Å; E157-K218 IonicContact OE1-NZ 2.68Å; E157-K218 PolarHBondContact OE1-NZ 3.41Å; E157-K218 IonicContact OE2-NZ 3.17Å |
| 158 | H | 83.6 | Confident | 82 | Confident | 104 Ų | 104 | 55.4 Ų | 55.4 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.6 | -34 | -179.6 | -176.2 | 50.1 | 0 | 0 | 0 | 113.6 | S154 E161 K162 | S154-H158 WeakPolarHBondContact O-CB 3.49Å; S154-H158 PolarHBondContact O-N 3.25Å; H158-E161 IonicContact CE1-OE2 2.65Å; H158-E161 PolarHBondContact CE1-OE2 3.12Å; H158-E161 IonicContact ND1-OE2 3.48Å; H158-K162 WeakPolarHBondContact O-CG 3.07Å; H158-K162 PolarHBondContact O-N 2.86Å |
| 159 | G | 80.7 | Confident | 82.4 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D155 E157 K162 C163 | D155-G159 PolarHBondContact O-N 3.29Å; E157-G159 PolarHBondContact O-N 3Å; G159-K162 WeakPolarHBondContact O-CB 3.31Å; G159-K162 PolarHBondContact O-N 3.41Å; G159-C163 PolarHBondContact O-N 3.03Å; G159-C163 VanDerWaalsContact O-N 3.17Å |
| 160 | V | 82.2 | Confident | 83 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 174.7 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | L156 E157 K162 C163 E164 T207 L210 | L156-V160 WeakPolarHBondContact O-CG2 3.47Å; L156-V160 PolarHBondContact O-N 2.96Å; E157-V160 PolarHBondContact O-N 3.44Å; V160-K162 VanDerWaalsContact C-N 3.32Å; V160-K162 PolarHBondContact O-N 2.57Å; V160-C163 WeakPolarHBondContact O-CB 3.45Å; V160-C163 PolarHBondContact O-N 3.35Å; V160-C163 VanDerWaalsContact O-N 3.11Å; V160-E164 HydrophobicContact CG1-CG 4.43Å; V160-E164 WeakPolarHBondContact CG1-OE1 3.5Å; V160-E164 PolarHBondContact O-N 3.35Å; V160-T207 HydrophobicContact CG1-CG2 3.84Å; V160-T207 HydrophobicContact CG2-CG2 4.35Å; V160-L210 HydrophobicContact CG2-CB 4.05Å; V160-L210 HydrophobicContact CG2-CD1 4.02Å |
| 161 | E | 82.8 | Confident | 83.4 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 52% | 0.523 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 175.6 | -174.5 | -177 | -164.7 | 0 | 0 | 111.7 | E157 H158 C163 E164 V165 | E157-E161 PolarHBondContact O-N 2.99Å; H158-E161 IonicContact CE1-OE2 2.65Å; H158-E161 PolarHBondContact CE1-OE2 3.12Å; H158-E161 IonicContact ND1-OE2 3.48Å; E161-C163 VanDerWaalsContact C-N 3.33Å; E161-C163 PolarHBondContact O-N 2.9Å; E161-E164 PolarHBondContact O-N 3Å; E161-V165 WeakPolarHBondContact O-CG2 3.28Å; E161-V165 PolarHBondContact O-N 2.92Å |
| 162 | K | 84.2 | Confident | 83.7 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 34% | 0.339 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 173.8 | -75.8 | 174.1 | 177 | 166 | 0 | 112.5 | I130 H158 G159 V160 R166 | I130-K162 HydrophobicContact CD1-CB 4.12Å; I130-K162 HydrophobicContact CG2-CB 3.93Å; H158-K162 WeakPolarHBondContact O-CG 3.07Å; H158-K162 PolarHBondContact O-N 2.86Å; G159-K162 WeakPolarHBondContact O-CB 3.31Å; G159-K162 PolarHBondContact O-N 3.41Å; V160-K162 VanDerWaalsContact C-N 3.32Å; V160-K162 PolarHBondContact O-N 2.57Å; K162-R166 WeakPolarHBondContact O-CG 3.44Å; K162-R166 PolarHBondContact O-N 3.33Å; K162-R166 VanDerWaalsContact O-N 3.14Å |
| 163 | C | 84.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -49.2 | 176.3 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | L127 I130 L131 L134 G159 V160 E161 V165 R166 L167 | L127-C163 HydrophobicContact CD1-CB 4.26Å; I130-C163 VanDerWaalsContact CG2-SG 3.52Å; L131-C163 VanDerWaalsContact CD2-SG 3.59Å; L134-C163 WeakPolarHBondContact CD1-SG 3.5Å; G159-C163 PolarHBondContact O-N 3.03Å; G159-C163 VanDerWaalsContact O-N 3.17Å; V160-C163 WeakPolarHBondContact O-CB 3.45Å; V160-C163 PolarHBondContact O-N 3.35Å; V160-C163 VanDerWaalsContact O-N 3.11Å; E161-C163 VanDerWaalsContact C-N 3.33Å; E161-C163 PolarHBondContact O-N 2.9Å; C163-V165 VanDerWaalsContact C-N 3.29Å; C163-V165 PolarHBondContact O-N 3.46Å; C163-R166 PolarHBondContact O-N 3.23Å; C163-R166 VanDerWaalsContact O-N 3.11Å; C163-L167 WeakPolarHBondContact O-CG 3.38Å; C163-L167 PolarHBondContact O-N 3.49Å |
| 164 | E | 81.8 | Confident | 84.5 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | -179 | -68.3 | 177.4 | -176.5 | 0 | 0 | 110.8 | V160 E161 N168 K211 | V160-E164 HydrophobicContact CG1-CG 4.43Å; V160-E164 WeakPolarHBondContact CG1-OE1 3.5Å; V160-E164 PolarHBondContact O-N 3.35Å; E161-E164 PolarHBondContact O-N 3Å; E164-N168 VanDerWaalsContact O-CG 3.3Å; E164-N168 PolarHBondContact O-N 3.49Å; E164-N168 PolarHBondContact O-ND2 3.18Å; E164-N168 VanDerWaalsContact O-ND2 3.15Å; E164-K211 IonicContact OE1-NZ 2.75Å; E164-K211 PolarHBondContact OE1-NZ 3.16Å |
| 165 | V | 83.4 | Confident | 84.6 | Confident | 89 Ų | 89 | 51 Ų | 51 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 172.6 | 172 | 0 | 0 | 0 | 0 | 113 | E161 C163 G169 | E161-V165 WeakPolarHBondContact O-CG2 3.28Å; E161-V165 PolarHBondContact O-N 2.92Å; C163-V165 VanDerWaalsContact C-N 3.29Å; C163-V165 PolarHBondContact O-N 3.46Å; V165-G169 PolarHBondContact O-N 3.27Å |
| 166 | R | 88.6 | Confident | 84.8 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.8 | -37.9 | 179.1 | -66.3 | -33.7 | -167.2 | 129.2 | 17.1 | 113 | E126 L127 I130 K162 C163 G169 L170 | E126-R166 IonicContact OE1-NH2 2.74Å; E126-R166 IonicContact OE2-CZ 3.97Å; E126-R166 IonicContact OE2-NH1 2.78Å; E126-R166 PolarHBondContact OE2-NH1 2.77Å; E126-R166 IonicContact OE2-NH2 3.4Å; E126-R166 PolarHBondContact OE2-NH2 2.79Å; L127-R166 HydrophobicContact CB-CB 4.25Å; L127-R166 HydrophobicContact CD1-CB 4.01Å; I130-R166 HydrophobicContact CD1-CG 3.49Å; I130-R166 VanDerWaalsContact CD1-CG 3.49Å; K162-R166 WeakPolarHBondContact O-CG 3.44Å; K162-R166 PolarHBondContact O-N 3.33Å; K162-R166 VanDerWaalsContact O-N 3.14Å; C163-R166 PolarHBondContact O-N 3.23Å; C163-R166 VanDerWaalsContact O-N 3.11Å; R166-G169 PolarHBondContact O-N 2.79Å; R166-L170 WeakPolarHBondContact O-CB 3.43Å; R166-L170 PolarHBondContact O-N 3.35Å |
| 167 | L | 87.3 | Confident | 85 | Confident | 27 Ų | 27 | 51 Ų | 51 | 14% | 0.141 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 173.5 | -72.7 | 174.2 | 0 | 0 | 0 | 111.8 | L127 C163 G169 L170 A171 A203 | L127-L167 HydrophobicContact CD1-CG 4.38Å; L127-L167 HydrophobicContact CD2-CD2 3.7Å; L127-L167 HydrophobicContact CD2-CG 4.43Å; C163-L167 WeakPolarHBondContact O-CG 3.38Å; C163-L167 PolarHBondContact O-N 3.49Å; L167-G169 VanDerWaalsContact C-N 3.34Å; L167-G169 PolarHBondContact O-N 3.17Å; L167-L170 PolarHBondContact O-N 2.88Å; L167-A171 PolarHBondContact O-N 3.23Å; L167-A203 HydrophobicContact CD1-CB 3.78Å; L167-A203 HydrophobicContact CD2-CB 3.97Å; L167-A203 HydrophobicContact CG-CB 4.15Å |
| 168 | N | 85 | Confident | 85.2 | Confident | 116 Ų | 116 | 52.4 Ų | 52.4 | 62% | 0.62 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 178.1 | -72.1 | -27.9 | 0 | 0 | 0 | 112.3 | E164 H172 | E164-N168 VanDerWaalsContact O-CG 3.3Å; E164-N168 PolarHBondContact O-N 3.49Å; E164-N168 PolarHBondContact O-ND2 3.18Å; E164-N168 VanDerWaalsContact O-ND2 3.15Å; N168-H172 PolarHBondContact O-N 3.34Å; N168-H172 VanDerWaalsContact O-N 3.15Å |
| 169 | G | 83.8 | Confident | 85 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | V165 R166 L167 H172 E173 | V165-G169 PolarHBondContact O-N 3.27Å; R166-G169 PolarHBondContact O-N 2.79Å; L167-G169 VanDerWaalsContact C-N 3.34Å; L167-G169 PolarHBondContact O-N 3.17Å; G169-H172 PolarHBondContact O-N 2.92Å; G169-E173 PolarHBondContact O-N 3.11Å |
| 170 | L | 88.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.9 | -39 | 179.6 | -172.5 | 65.8 | 0 | 0 | 0 | 111.8 | Y120 L123 V124 R166 L167 E173 L174 F196 A199 | Y120-L170 HydrophobicContact CD1-CD1 4.43Å; Y120-L170 HydrophobicContact CD2-CD1 3.48Å; Y120-L170 VanDerWaalsContact CD2-CD1 3.48Å; Y120-L170 HydrophobicContact CD2-CG 4.31Å; Y120-L170 HydrophobicContact CE1-CD1 4.48Å; Y120-L170 HydrophobicContact CE2-CD1 3.59Å; Y120-L170 HydrophobicContact CE2-CG 4.08Å; Y120-L170 HydrophobicContact CG-CD1 3.92Å; Y120-L170 VanDerWaalsContact O-CD1 3.27Å; Y120-L170 WeakPolarHBondContact O-CD1 3.41Å; L123-L170 HydrophobicContact CB-CB 4.26Å; L123-L170 HydrophobicContact CB-CD1 3.83Å; V124-L170 HydrophobicContact CG2-CD1 3.65Å; V124-L170 HydrophobicContact CG2-CD2 3.93Å; V124-L170 HydrophobicContact CG2-CG 4.47Å; R166-L170 WeakPolarHBondContact O-CB 3.43Å; R166-L170 PolarHBondContact O-N 3.35Å; L167-L170 PolarHBondContact O-N 2.88Å; L170-E173 PolarHBondContact O-N 2.93Å; L170-L174 WeakPolarHBondContact O-CB 3.18Å; L170-L174 PolarHBondContact O-N 3.17Å; L170-F196 HydrophobicContact CB-CD2 4.39Å; L170-F196 HydrophobicContact CB-CE2 4.4Å; L170-F196 HydrophobicContact CD2-CD2 3.8Å; L170-F196 HydrophobicContact CD2-CE2 4.42Å; L170-F196 HydrophobicContact CG-CD2 3.83Å; L170-F196 HydrophobicContact CG-CE2 4.33Å; L170-A199 HydrophobicContact CD2-CB 3.73Å |
| 171 | A | 86.5 | Confident | 84.6 | Confident | 36 Ų | 36 | 56 Ų | 56 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L167 L174 E175 F196 | L167-A171 PolarHBondContact O-N 3.23Å; A171-L174 PolarHBondContact O-N 3.02Å; A171-E175 PolarHBondContact O-N 2.95Å; A171-F196 HydrophobicContact CB-CE2 3.78Å; A171-F196 HydrophobicContact CB-CZ 3.66Å |
| 172 | H | 85.1 | Confident | 83.5 | Confident | 61 Ų | 61 | 57 Ų | 57 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 178 | -177.9 | -94.9 | 0 | 0 | 0 | 112.8 | N168 G169 E175 R176 N1529 | N168-H172 PolarHBondContact O-N 3.34Å; N168-H172 VanDerWaalsContact O-N 3.15Å; G169-H172 PolarHBondContact O-N 2.92Å; H172-E175 PolarHBondContact O-N 3.35Å; H172-R176 PolarHBondContact O-N 2.82Å; H172-N1529 PolarHBondContact CE1-OD1 2.87Å; H172-N1529 PolarHBondContact NE2-ND2 3.28Å; H172-N1529 PolarHBondContact NE2-OD1 3.2Å |
| 173 | E | 88 | Confident | 82 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 7% | 0.065 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74.3 | -27.1 | 178.8 | -63.1 | -64.5 | 113.3 | 0 | 0 | 112.2 | T119 L123 G169 L170 R176 L177 | T119-E173 WeakPolarHBondContact CB-OE2 2.97Å; T119-E173 PolarHBondContact OG1-OE2 3.39Å; L123-E173 HydrophobicContact CD1-CG 4.06Å; G169-E173 PolarHBondContact O-N 3.11Å; L170-E173 PolarHBondContact O-N 2.93Å; E173-R176 WeakPolarHBondContact OE1-CD 3.36Å; E173-R176 IonicContact OE1-CZ 2.76Å; E173-R176 IonicContact OE1-NE 2.63Å; E173-R176 IonicContact OE1-NH1 3.62Å; E173-R176 PolarHBondContact OE1-NH1 3.06Å; E173-R176 IonicContact OE2-NH1 2.71Å; E173-L177 WeakPolarHBondContact O-CB 3.35Å; E173-L177 VanDerWaalsContact O-CG 3.3Å; E173-L177 WeakPolarHBondContact O-CG 3.39Å; E173-L177 PolarHBondContact O-N 2.84Å |
| 174 | L | 90 | Very high | 80.7 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 167.6 | -178.5 | 66.6 | 0 | 0 | 0 | 111.9 | Y120 L170 A171 L177 R178 L192 E193 F196 | Y120-L174 HydrophobicContact CD2-CB 4.36Å; Y120-L174 HydrophobicContact CE2-CB 4.25Å; Y120-L174 HydrophobicContact CE2-CD1 4.16Å; L170-L174 WeakPolarHBondContact O-CB 3.18Å; L170-L174 PolarHBondContact O-N 3.17Å; A171-L174 PolarHBondContact O-N 3.02Å; L174-L177 CarbonylContact O-C 3.58Å; L174-L177 WeakPolarHBondContact O-CB 3.44Å; L174-L177 PolarHBondContact O-N 3.08Å; L174-L177 VanDerWaalsContact O-N 3.15Å; L174-R178 PolarHBondContact O-N 3.5Å; L174-L192 HydrophobicContact CD1-CB 3.81Å; L174-E193 HydrophobicContact CD1-CG 4.22Å; L174-E193 HydrophobicContact CD2-CG 4.32Å; L174-F196 HydrophobicContact CD2-CB 3.75Å; L174-F196 HydrophobicContact CD2-CD1 3.56Å; L174-F196 HydrophobicContact CD2-CD2 4.33Å; L174-F196 HydrophobicContact CD2-CE1 4.24Å; L174-F196 HydrophobicContact CD2-CG 3.61Å |
| 175 | E | 85.8 | Confident | 80.2 | Confident | 89 Ų | 89 | 62.6 Ų | 62.6 | 42% | 0.416 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.3 | -35.9 | 177.2 | -165 | 58.8 | -137.1 | 0 | 0 | 112.1 | A171 H172 L177 R178 I179 | A171-E175 PolarHBondContact O-N 2.95Å; H172-E175 PolarHBondContact O-N 3.35Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 3.07Å; E175-R178 WeakPolarHBondContact O-CB 3.13Å; E175-R178 PolarHBondContact O-N 3.03Å; E175-R178 WeakPolarHBondContact OE2-CD 3.4Å; E175-R178 IonicContact OE2-CZ 2.74Å; E175-R178 IonicContact OE2-NE 3.3Å; E175-R178 IonicContact OE2-NH1 3.89Å; E175-R178 PolarHBondContact OE2-NH1 3.09Å; E175-I179 WeakPolarHBondContact O-CG1 3.34Å; E175-I179 PolarHBondContact O-N 3.49Å; E175-I179 VanDerWaalsContact O-N 3.09Å |
| 176 | R | 85 | Confident | 79.9 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 25% | 0.249 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 167.2 | -80.8 | 171.5 | 145.4 | -165 | -7.1 | 112.2 | H172 E173 R178 I179 I180 N1560 | H172-R176 PolarHBondContact O-N 2.82Å; E173-R176 WeakPolarHBondContact OE1-CD 3.36Å; E173-R176 IonicContact OE1-CZ 2.76Å; E173-R176 IonicContact OE1-NE 2.63Å; E173-R176 IonicContact OE1-NH1 3.62Å; E173-R176 PolarHBondContact OE1-NH1 3.06Å; E173-R176 IonicContact OE2-NH1 2.71Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 2.93Å; R176-I179 PolarHBondContact O-N 3.17Å; R176-I180 WeakPolarHBondContact O-CD1 3.32Å; R176-I180 VanDerWaalsContact O-CG1 3.25Å; R176-I180 WeakPolarHBondContact O-CG1 2.86Å; R176-I180 PolarHBondContact O-N 2.92Å; R176-N1560 PolarHBondContact NH2-OD1 3.42Å |
| 177 | L | 86.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 175.6 | -74.8 | 167 | 0 | 0 | 0 | 112.2 | F113 Y120 E173 L174 E175 I180 L181 L192 | F113-L177 HydrophobicContact CD2-CD2 4.19Å; F113-L177 HydrophobicContact CE2-CD2 4.34Å; Y120-L177 HydrophobicContact CD2-CD1 4.16Å; Y120-L177 HydrophobicContact CG-CD1 4Å; E173-L177 WeakPolarHBondContact O-CB 3.35Å; E173-L177 VanDerWaalsContact O-CG 3.3Å; E173-L177 WeakPolarHBondContact O-CG 3.39Å; E173-L177 PolarHBondContact O-N 2.84Å; L174-L177 CarbonylContact O-C 3.58Å; L174-L177 WeakPolarHBondContact O-CB 3.44Å; L174-L177 PolarHBondContact O-N 3.08Å; L174-L177 VanDerWaalsContact O-N 3.15Å; E175-L177 VanDerWaalsContact C-N 3.33Å; E175-L177 PolarHBondContact O-N 3.07Å; L177-I180 PolarHBondContact O-N 3.05Å; L177-L181 WeakPolarHBondContact O-CB 3.37Å; L177-L181 VanDerWaalsContact O-CG 3.32Å; L177-L181 WeakPolarHBondContact O-CG 3.37Å; L177-L181 PolarHBondContact O-N 2.9Å; L177-L192 HydrophobicContact CB-CD1 4.38Å; L177-L192 HydrophobicContact CD1-CD1 3.91Å; L177-L192 HydrophobicContact CD1-CD2 4.5Å |
| 178 | R | 85.2 | Confident | 79.6 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 38% | 0.377 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 170.4 | -74.1 | 168.6 | 161 | 180 | -5.5 | 113 | L174 E175 R176 L181 L189 E193 | L174-R178 PolarHBondContact O-N 3.5Å; E175-R178 WeakPolarHBondContact O-CB 3.13Å; E175-R178 PolarHBondContact O-N 3.03Å; E175-R178 WeakPolarHBondContact OE2-CD 3.4Å; E175-R178 IonicContact OE2-CZ 2.74Å; E175-R178 IonicContact OE2-NE 3.3Å; E175-R178 IonicContact OE2-NH1 3.89Å; E175-R178 PolarHBondContact OE2-NH1 3.09Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 2.93Å; R178-L181 CarbonylContact O-C 3.56Å; R178-L189 HydrophobicContact CG-CD1 3.66Å; R178-L189 HydrophobicContact CG-CD2 4.12Å; R178-L189 HydrophobicContact CG-CG 4.46Å; R178-E193 IonicContact CZ-OE1 3.57Å; R178-E193 VanDerWaalsContact CZ-OE1 3.23Å; R178-E193 IonicContact NE-OE1 2.96Å; R178-E193 PolarHBondContact NE-OE1 3.27Å; R178-E193 IonicContact NH2-OE1 2.71Å; R178-E193 PolarHBondContact NH2-OE1 3.34Å; R178-E193 IonicContact NH2-OE2 3.78Å |
| 179 | I | 79.8 | Confident | 79.6 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 63% | 0.631 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -68 | -38 | 178.7 | -65.7 | 165.6 | 0 | 0 | 0 | 111.5 | E175 R176 | E175-I179 WeakPolarHBondContact O-CG1 3.34Å; E175-I179 PolarHBondContact O-N 3.49Å; E175-I179 VanDerWaalsContact O-N 3.09Å; R176-I179 PolarHBondContact O-N 3.17Å |
| 180 | I | 78.6 | Confident | 79.6 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 27% | 0.272 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -74 | -44.6 | 178.9 | -64.1 | 159.7 | 0 | 0 | 0 | 110.8 | F112 F113 S116 R176 L177 K182 | F112-I180 HydrophobicContact CB-CD1 3.95Å; F112-I180 HydrophobicContact CB-CG1 4.36Å; F113-I180 HydrophobicContact CB-CG2 3.76Å; F113-I180 HydrophobicContact CD2-CG2 4.01Å; F113-I180 HydrophobicContact CG-CG2 4.37Å; S116-I180 WeakPolarHBondContact OG-CD1 3.19Å; R176-I180 WeakPolarHBondContact O-CD1 3.32Å; R176-I180 VanDerWaalsContact O-CG1 3.25Å; R176-I180 WeakPolarHBondContact O-CG1 2.86Å; R176-I180 PolarHBondContact O-N 2.92Å; L177-I180 PolarHBondContact O-N 3.05Å; I180-K182 VanDerWaalsContact C-N 3.28Å; I180-K182 PolarHBondContact O-N 3.4Å |
| 181 | L | 75.9 | Confident | 79.5 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 12% | 0.12 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -80.1 | 73.6 | 175 | -65.2 | 168.4 | 0 | 0 | 0 | 110.4 | F113 L177 R178 D185 Y188 L189 L192 | F113-L181 HydrophobicContact CD2-CD2 4.24Å; F113-L181 HydrophobicContact CE2-CD1 4.41Å; F113-L181 HydrophobicContact CE2-CD2 3.77Å; F113-L181 HydrophobicContact CE2-CG 4.22Å; L177-L181 WeakPolarHBondContact O-CB 3.37Å; L177-L181 VanDerWaalsContact O-CG 3.32Å; L177-L181 WeakPolarHBondContact O-CG 3.37Å; L177-L181 PolarHBondContact O-N 2.9Å; R178-L181 CarbonylContact O-C 3.56Å; L181-D185 HydrophobicContact CD2-CB 4.38Å; L181-Y188 HydrophobicContact CD1-CD1 3.74Å; L181-Y188 HydrophobicContact CD1-CE1 4.06Å; L181-Y188 HydrophobicContact CD2-CD1 4.27Å; L181-L189 HydrophobicContact CD1-CB 4.11Å; L181-L189 HydrophobicContact CD1-CD1 4.21Å; L181-L192 HydrophobicContact CD1-CD1 4.05Å |
| 182 | K | 59.5 | Low | 79.6 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 58% | 0.578 | 33% | 0.331 | S | S | * | . | trans | -50 | 159.8 | 162 | -68.8 | -168.8 | 176.1 | -171.4 | 0 | 110.5 | I180 S184 D185 | I180-K182 VanDerWaalsContact C-N 3.28Å; I180-K182 PolarHBondContact O-N 3.4Å; K182-S184 PolarHBondContact O-N 3.42Å; K182-S184 PolarHBondContact O-OG 3.28Å; K182-D185 PolarHBondContact O-N 3.21Å | ||
| 183 | P | 52.6 | Low | 79.8 | Confident | 127 Ų | 127 | 61.7 Ų | 61.7 | 83% | 0.825 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 3.5 | -171.1 | -28.3 | 36.5 | 0 | 0 | 0 | 118.3 | D185 | P183-D185 PolarHBondContact O-N 3.38Š|
| 184 | S | 57.4 | Low | 79.7 | Confident | 107 Ų | 107 | 64.9 Ų | 64.9 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.2 | 167.3 | 35.4 | 0 | 0 | 0 | 0 | 115.8 | K182 | K182-S184 PolarHBondContact O-N 3.42Å; K182-S184 PolarHBondContact O-OG 3.28Å |
| 185 | D | 72.3 | Confident | 79.5 | Confident | 45 Ų | 45 | 66.1 Ų | 66.1 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | trans | -149.4 | 65.9 | -175.9 | -146.7 | -60.7 | 0 | 0 | 0 | 114.5 | K49 L181 K182 P183 Y188 | K49-D185 WeakPolarHBondContact CE-OD2 3.36Å; K49-D185 IonicContact NZ-OD1 3.38Å; K49-D185 PolarHBondContact NZ-OD1 2.9Å; K49-D185 IonicContact NZ-OD2 2.72Å; K49-D185 PolarHBondContact NZ-OD2 2.67Å; L181-D185 HydrophobicContact CD2-CB 4.38Å; K182-D185 PolarHBondContact O-N 3.21Å; P183-D185 PolarHBondContact O-N 3.38Å; D185-Y188 WeakPolarHBondContact OD1-CB 3.32Å | ||
| 186 | P | 77.6 | Confident | 79.7 | Confident | 82 Ų | 82 | 64 Ų | 64 | 53% | 0.532 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.9 | -32.3 | -175.7 | 28.7 | -35.2 | 0 | 0 | 0 | 113.5 | Y188 L189 G190 | P186-Y188 PolarHBondContact O-N 3.37Å; P186-L189 PolarHBondContact O-N 2.97Å; P186-G190 PolarHBondContact O-N 2.96Å |
| 187 | D | 81.9 | Confident | 79.8 | Confident | 125 Ų | 125 | 66.6 Ų | 66.6 | 67% | 0.668 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.2 | -36.6 | -173 | -59.2 | -23.1 | 0 | 0 | 0 | 112.7 | Q191 | D187-Q191 WeakPolarHBondContact O-CG 3.39Å; D187-Q191 PolarHBondContact O-N 2.84Å; D187-Q191 PolarHBondContact O-NE2 2.93Å |
| 188 | Y | 87.3 | Confident | 79.9 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -77 | -36 | 175.2 | 176.7 | -108.3 | 0 | 0 | 0 | 111.9 | K49 P50 Y51 F113 C117 L181 D185 P186 G190 Q191 L192 | K49-Y188 HydrophobicContact CB-CD2 3.96Å; K49-Y188 HydrophobicContact CB-CE1 4.26Å; K49-Y188 HydrophobicContact CB-CE2 3.65Å; K49-Y188 HydrophobicContact CB-CG 4.39Å; K49-Y188 HydrophobicContact CD-CD1 3.8Å; K49-Y188 HydrophobicContact CD-CD2 3.7Å; K49-Y188 HydrophobicContact CD-CE1 4.33Å; K49-Y188 HydrophobicContact CD-CE2 4.24Å; K49-Y188 HydrophobicContact CD-CG 3.45Å; K49-Y188 VanDerWaalsContact CD-CG 3.45Å; K49-Y188 HydrophobicContact CG-CD2 4.45Å; K49-Y188 HydrophobicContact CG-CG 4.44Å; P50-Y188 WeakPolarHBondContact O-CE2 3.42Å; P50-Y188 PolarHBondContact O-OH 2.73Å; P50-Y188 VanDerWaalsContact O-OH 3.06Å; Y51-Y188 HydrophobicContact CD1-CE2 4.35Å; Y51-Y188 AromaticContact CE1-CD2 3.83Å; Y51-Y188 HydrophobicContact CE1-CD2 3.83Å; Y51-Y188 HydrophobicContact CE1-CE2 4.04Å; F113-Y188 HydrophobicContact CE2-CD1 4.41Å; F113-Y188 AromaticContact CE2-CE1 3.76Å; F113-Y188 HydrophobicContact CE2-CE1 3.76Å; F113-Y188 HydrophobicContact CZ-CD1 4.4Å; F113-Y188 AromaticContact CZ-CE1 3.7Å; F113-Y188 HydrophobicContact CZ-CE1 3.7Å; C117-Y188 PolarHBondContact SG-OH 3.46Å; C117-Y188 VanDerWaalsContact SG-OH 3.36Å; L181-Y188 HydrophobicContact CD1-CD1 3.74Å; L181-Y188 HydrophobicContact CD1-CE1 4.06Å; L181-Y188 HydrophobicContact CD2-CD1 4.27Å; D185-Y188 WeakPolarHBondContact OD1-CB 3.32Å; P186-Y188 PolarHBondContact O-N 3.37Å; Y188-G190 VanDerWaalsContact C-N 3.33Å; Y188-Q191 PolarHBondContact O-N 2.82Å; Y188-L192 HydrophobicContact CD1-CD1 3.92Å; Y188-L192 HydrophobicContact CE1-CD1 3.45Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.45Å; Y188-L192 HydrophobicContact CE1-CG 4.18Å; Y188-L192 HydrophobicContact CE2-CG 4.49Å; Y188-L192 PolarHBondContact O-N 2.83Å; Y188-L192 VanDerWaalsContact O-N 3.14Å |
| 189 | L | 85.2 | Confident | 79.9 | Confident | 31 Ų | 31 | 65.6 Ų | 65.6 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 172.8 | 178.9 | 59.2 | 0 | 0 | 0 | 111 | R178 L181 P186 Q191 L192 E193 | R178-L189 HydrophobicContact CG-CD1 3.66Å; R178-L189 HydrophobicContact CG-CD2 4.12Å; R178-L189 HydrophobicContact CG-CG 4.46Å; L181-L189 HydrophobicContact CD1-CB 4.11Å; L181-L189 HydrophobicContact CD1-CD1 4.21Å; P186-L189 PolarHBondContact O-N 2.97Å; L189-Q191 VanDerWaalsContact C-N 3.32Å; L189-Q191 PolarHBondContact O-N 3.39Å; L189-L192 WeakPolarHBondContact O-CB 3.47Å; L189-L192 PolarHBondContact O-N 2.94Å; L189-L192 VanDerWaalsContact O-N 3.14Å; L189-E193 HydrophobicContact CD1-CG 4.49Å; L189-E193 WeakPolarHBondContact O-CG 3.48Å; L189-E193 PolarHBondContact O-N 2.86Å |
| 190 | G | 83.1 | Confident | 80.2 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.8 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | P186 Y188 L192 E193 D194 | P186-G190 PolarHBondContact O-N 2.96Å; Y188-G190 VanDerWaalsContact C-N 3.33Å; G190-L192 PolarHBondContact O-N 3.34Å; G190-E193 PolarHBondContact O-N 3.43Å; G190-E193 VanDerWaalsContact O-N 3.16Å; G190-D194 PolarHBondContact O-N 2.9Å |
| 191 | Q | 86 | Confident | 80.5 | Confident | 101 Ų | 101 | 65.8 Ų | 65.8 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -34.5 | 176.6 | -72 | 167.7 | 56.6 | 0 | 0 | 113.2 | Y51 D187 Y188 L189 G195 | Y51-Q191 VanDerWaalsContact CE1-OE1 3.31Å; D187-Q191 WeakPolarHBondContact O-CG 3.39Å; D187-Q191 PolarHBondContact O-N 2.84Å; D187-Q191 PolarHBondContact O-NE2 2.93Å; Y188-Q191 PolarHBondContact O-N 2.82Å; L189-Q191 VanDerWaalsContact C-N 3.32Å; L189-Q191 PolarHBondContact O-N 3.39Å; Q191-G195 PolarHBondContact O-N 3.45Å |
| 192 | L | 89 | Confident | 81 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -70.3 | -35.9 | 171.8 | -67.7 | 167.8 | 0 | 0 | 0 | 111.9 | Y120 F121 L174 L177 L181 Y188 L189 G190 F196 | Y120-L192 HydrophobicContact CD1-CD2 3.73Å; Y120-L192 HydrophobicContact CE1-CD2 3.55Å; Y120-L192 HydrophobicContact CG-CD2 4.35Å; Y120-L192 PolarHBondContact OH-O 3.28Å; F121-L192 HydrophobicContact CE2-CD2 4.11Å; F121-L192 HydrophobicContact CZ-CD2 3.9Å; L174-L192 HydrophobicContact CD1-CB 3.81Å; L177-L192 HydrophobicContact CB-CD1 4.38Å; L177-L192 HydrophobicContact CD1-CD1 3.91Å; L177-L192 HydrophobicContact CD1-CD2 4.5Å; L181-L192 HydrophobicContact CD1-CD1 4.05Å; Y188-L192 HydrophobicContact CD1-CD1 3.92Å; Y188-L192 HydrophobicContact CE1-CD1 3.45Å; Y188-L192 VanDerWaalsContact CE1-CD1 3.45Å; Y188-L192 HydrophobicContact CE1-CG 4.18Å; Y188-L192 HydrophobicContact CE2-CG 4.49Å; Y188-L192 PolarHBondContact O-N 2.83Å; Y188-L192 VanDerWaalsContact O-N 3.14Å; L189-L192 WeakPolarHBondContact O-CB 3.47Å; L189-L192 PolarHBondContact O-N 2.94Å; L189-L192 VanDerWaalsContact O-N 3.14Å; G190-L192 PolarHBondContact O-N 3.34Å; L192-F196 WeakPolarHBondContact O-CB 3.43Å; L192-F196 PolarHBondContact O-N 3.49Å |
| 193 | E | 88.4 | Confident | 82.1 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.1 | -35.7 | 173.9 | -68 | -167.3 | 172 | 0 | 0 | 112.6 | L174 R178 L189 G190 F196 R197 | L174-E193 HydrophobicContact CD1-CG 4.22Å; L174-E193 HydrophobicContact CD2-CG 4.32Å; R178-E193 IonicContact CZ-OE1 3.57Å; R178-E193 VanDerWaalsContact CZ-OE1 3.23Å; R178-E193 IonicContact NE-OE1 2.96Å; R178-E193 PolarHBondContact NE-OE1 3.27Å; R178-E193 IonicContact NH2-OE1 2.71Å; R178-E193 PolarHBondContact NH2-OE1 3.34Å; R178-E193 IonicContact NH2-OE2 3.78Å; L189-E193 HydrophobicContact CD1-CG 4.49Å; L189-E193 WeakPolarHBondContact O-CG 3.48Å; L189-E193 PolarHBondContact O-N 2.86Å; G190-E193 PolarHBondContact O-N 3.43Å; G190-E193 VanDerWaalsContact O-N 3.16Å; E193-F196 PolarHBondContact O-N 3.47Å; E193-R197 WeakPolarHBondContact O-CB 3.23Å; E193-R197 WeakPolarHBondContact O-CG 3.5Å; E193-R197 PolarHBondContact O-N 3.36Å; E193-R197 IonicContact OE2-NH1 3.87Å |
| 194 | D | 87.7 | Confident | 83.4 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 43% | 0.428 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 173.7 | -74.5 | -33.2 | 0 | 0 | 0 | 111.9 | G190 F196 R197 D198 | G190-D194 PolarHBondContact O-N 2.9Å; D194-F196 PolarHBondContact O-N 2.86Å; D194-R197 WeakPolarHBondContact O-CB 3.48Å; D194-R197 PolarHBondContact O-N 2.94Å; D194-R197 VanDerWaalsContact O-N 3.08Å; D194-R197 IonicContact OD1-CZ 3.48Å; D194-R197 IonicContact OD1-NE 2.85Å; D194-R197 PolarHBondContact OD1-NE 3.25Å; D194-R197 IonicContact OD1-NH2 2.73Å; D194-R197 PolarHBondContact OD1-NH2 3.29Å; D194-R197 IonicContact OD2-NH2 3.68Å; D194-D198 PolarHBondContact O-N 3.21Å |
| 195 | G | 85.5 | Confident | 84.5 | Confident | 32 Ų | 32 | 57.1 Ų | 57.1 | 33% | 0.33 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.3 | -34 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q191 A199 | Q191-G195 PolarHBondContact O-N 3.45Å; G195-A199 WeakPolarHBondContact O-CB 3.18Å; G195-A199 PolarHBondContact O-N 3.37Å |
| 196 | F | 89.9 | Confident | 84.9 | Confident | 46 Ų | 46 | 56.1 Ų | 56.1 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.6 | -42.2 | 172.9 | 176.3 | -109.2 | 0 | 0 | 0 | 112.5 | Y120 L170 A171 L174 L192 E193 D194 D198 A199 C200 | Y120-F196 HydrophobicContact CE2-CB 4.49Å; Y120-F196 PolarHBondContact OH-N 2.92Å; Y120-F196 VanDerWaalsContact OH-N 3.13Å; L170-F196 HydrophobicContact CB-CD2 4.39Å; L170-F196 HydrophobicContact CB-CE2 4.4Å; L170-F196 HydrophobicContact CD2-CD2 3.8Å; L170-F196 HydrophobicContact CD2-CE2 4.42Å; L170-F196 HydrophobicContact CG-CD2 3.83Å; L170-F196 HydrophobicContact CG-CE2 4.33Å; A171-F196 HydrophobicContact CB-CE2 3.78Å; A171-F196 HydrophobicContact CB-CZ 3.66Å; L174-F196 HydrophobicContact CD2-CB 3.75Å; L174-F196 HydrophobicContact CD2-CD1 3.56Å; L174-F196 HydrophobicContact CD2-CD2 4.33Å; L174-F196 HydrophobicContact CD2-CE1 4.24Å; L174-F196 HydrophobicContact CD2-CG 3.61Å; L192-F196 WeakPolarHBondContact O-CB 3.43Å; L192-F196 PolarHBondContact O-N 3.49Å; E193-F196 PolarHBondContact O-N 3.47Å; D194-F196 PolarHBondContact O-N 2.86Å; F196-D198 VanDerWaalsContact C-N 3.3Å; F196-D198 PolarHBondContact O-N 2.95Å; F196-A199 PolarHBondContact O-N 3.32Å; F196-C200 WeakPolarHBondContact CZ-SG 3.48Å; F196-C200 WeakPolarHBondContact O-CB 3.26Å; F196-C200 PolarHBondContact O-N 3.04Å; F196-C200 PolarHBondContact O-SG 2.94Å; F196-C200 VanDerWaalsContact O-SG 3.38Å |
| 197 | R | 87.7 | Confident | 84.8 | Confident | 120 Ų | 120 | 52.8 Ų | 52.8 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.8 | -43.4 | 173.7 | -81 | -176.5 | -84.3 | -90.7 | 4.9 | 111.4 | E193 D194 C200 R201 | E193-R197 WeakPolarHBondContact O-CB 3.23Å; E193-R197 WeakPolarHBondContact O-CG 3.5Å; E193-R197 PolarHBondContact O-N 3.36Å; E193-R197 IonicContact OE2-NH1 3.87Å; D194-R197 WeakPolarHBondContact O-CB 3.48Å; D194-R197 PolarHBondContact O-N 2.94Å; D194-R197 VanDerWaalsContact O-N 3.08Å; D194-R197 IonicContact OD1-CZ 3.48Å; D194-R197 IonicContact OD1-NE 2.85Å; D194-R197 PolarHBondContact OD1-NE 3.25Å; D194-R197 IonicContact OD1-NH2 2.73Å; D194-R197 PolarHBondContact OD1-NH2 3.29Å; D194-R197 IonicContact OD2-NH2 3.68Å; R197-C200 PolarHBondContact O-N 3.4Å; R197-R201 WeakPolarHBondContact O-CB 3.5Å; R197-R201 PolarHBondContact O-N 2.88Å |
| 198 | D | 87 | Confident | 84.6 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 40% | 0.401 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -73.8 | -35.8 | 179.5 | -75.8 | -24.2 | 0 | 0 | 0 | 113.5 | D194 F196 R201 A202 | D194-D198 PolarHBondContact O-N 3.21Å; F196-D198 VanDerWaalsContact C-N 3.3Å; F196-D198 PolarHBondContact O-N 2.95Å; D198-R201 PolarHBondContact O-N 3.41Å; D198-R201 IonicContact OD1-CZ 2.69Å; D198-R201 IonicContact OD1-NE 2.93Å; D198-R201 PolarHBondContact OD1-NE 3.4Å; D198-R201 IonicContact OD1-NH2 3.98Å; D198-R201 PolarHBondContact OD1-NH2 3.44Å; D198-A202 WeakPolarHBondContact O-CB 3.19Å; D198-A202 PolarHBondContact O-N 2.86Å |
| 199 | A | 86.2 | Confident | 84 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L127 L170 G195 F196 A203 | L127-A199 HydrophobicContact CD2-CB 3.85Å; L170-A199 HydrophobicContact CD2-CB 3.73Å; G195-A199 WeakPolarHBondContact O-CB 3.18Å; G195-A199 PolarHBondContact O-N 3.37Å; F196-A199 PolarHBondContact O-N 3.32Å; A199-A203 VanDerWaalsContact O-CB 3.23Å; A199-A203 WeakPolarHBondContact O-CB 3.44Å; A199-A203 PolarHBondContact O-N 3.11Å |
| 200 | C | 85.3 | Confident | 83.7 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 173.9 | -75.7 | 0 | 0 | 0 | 0 | 112.5 | F196 R197 T204 | F196-C200 WeakPolarHBondContact CZ-SG 3.48Å; F196-C200 WeakPolarHBondContact O-CB 3.26Å; F196-C200 PolarHBondContact O-N 3.04Å; F196-C200 PolarHBondContact O-SG 2.94Å; F196-C200 VanDerWaalsContact O-SG 3.38Å; R197-C200 PolarHBondContact O-N 3.4Å; C200-T204 VanDerWaalsContact O-CB 3.25Å; C200-T204 WeakPolarHBondContact O-CB 3.47Å; C200-T204 PolarHBondContact O-N 3.5Å; C200-T204 PolarHBondContact O-OG1 2.82Å |
| 201 | R | 86.2 | Confident | 83.4 | Confident | 147 Ų | 147 | 56.6 Ų | 56.6 | 56% | 0.555 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.7 | -57.8 | 178.7 | -166.4 | -155.5 | -51.8 | -111.8 | 6.1 | 111.1 | R197 D198 A203 T204 E205 | R197-R201 WeakPolarHBondContact O-CB 3.5Å; R197-R201 PolarHBondContact O-N 2.88Å; D198-R201 PolarHBondContact O-N 3.41Å; D198-R201 IonicContact OD1-CZ 2.69Å; D198-R201 IonicContact OD1-NE 2.93Å; D198-R201 PolarHBondContact OD1-NE 3.4Å; D198-R201 IonicContact OD1-NH2 3.98Å; D198-R201 PolarHBondContact OD1-NH2 3.44Å; R201-A203 VanDerWaalsContact C-N 3.31Å; R201-A203 PolarHBondContact O-N 3.24Å; R201-T204 PolarHBondContact O-N 2.97Å; R201-T204 VanDerWaalsContact O-N 3.09Å; R201-E205 WeakPolarHBondContact CG-OE1 3.49Å; R201-E205 WeakPolarHBondContact O-CG 3.23Å; R201-E205 PolarHBondContact O-N 3.14Å |
| 202 | A | 84.5 | Confident | 83 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -40.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W128 L131 D198 A206 | W128-A202 HydrophobicContact CH2-CB 3.91Å; W128-A202 HydrophobicContact CZ2-CB 4.19Å; L131-A202 HydrophobicContact CD1-CB 4.18Å; D198-A202 WeakPolarHBondContact O-CB 3.19Å; D198-A202 PolarHBondContact O-N 2.86Å; A202-A206 WeakPolarHBondContact O-CB 3.38Å; A202-A206 PolarHBondContact O-N 3.4Å |
| 203 | A | 83.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.5 | -34.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L127 L131 L167 A199 R201 T207 | L127-A203 HydrophobicContact CD1-CB 4.26Å; L127-A203 HydrophobicContact CD2-CB 4.36Å; L131-A203 HydrophobicContact CD1-CB 4.29Å; L131-A203 HydrophobicContact CD2-CB 4.11Å; L167-A203 HydrophobicContact CD1-CB 3.78Å; L167-A203 HydrophobicContact CD2-CB 3.97Å; L167-A203 HydrophobicContact CG-CB 4.15Å; A199-A203 VanDerWaalsContact O-CB 3.23Å; A199-A203 WeakPolarHBondContact O-CB 3.44Å; A199-A203 PolarHBondContact O-N 3.11Å; R201-A203 VanDerWaalsContact C-N 3.31Å; R201-A203 PolarHBondContact O-N 3.24Å; A203-T207 WeakPolarHBondContact O-CB 3.3Å; A203-T207 PolarHBondContact O-N 3.31Å; A203-T207 PolarHBondContact O-OG1 3.08Å |
| 204 | T | 81 | Confident | 82.2 | Confident | 67 Ų | 67 | 60 Ų | 60 | 41% | 0.411 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.6 | -46.3 | 175.3 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | C200 R201 T207 Q208 | C200-T204 VanDerWaalsContact O-CB 3.25Å; C200-T204 WeakPolarHBondContact O-CB 3.47Å; C200-T204 PolarHBondContact O-N 3.5Å; C200-T204 PolarHBondContact O-OG1 2.82Å; R201-T204 PolarHBondContact O-N 2.97Å; R201-T204 VanDerWaalsContact O-N 3.09Å; T204-T207 PolarHBondContact O-N 3.33Å; T204-Q208 HydrophobicContact CG2-CG 4.47Å; T204-Q208 WeakPolarHBondContact O-CB 3.44Å; T204-Q208 WeakPolarHBondContact O-CG 3.45Å; T204-Q208 PolarHBondContact O-N 3.23Å |
| 205 | E | 79.7 | Confident | 81.6 | Confident | 119 Ų | 119 | 62 Ų | 62 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.7 | -49 | 177.9 | -72.1 | 174.5 | -164.6 | 0 | 0 | 111.6 | R201 Q208 S209 | R201-E205 WeakPolarHBondContact CG-OE1 3.49Å; R201-E205 WeakPolarHBondContact O-CG 3.23Å; R201-E205 PolarHBondContact O-N 3.14Å; E205-Q208 PolarHBondContact O-N 2.95Å; E205-S209 PolarHBondContact O-N 2.92Å; E205-S209 VanDerWaalsContact O-N 3.09Å |
| 206 | A | 79.6 | Confident | 81.1 | Confident | 25 Ų | 25 | 63 Ų | 63 | 21% | 0.207 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L131 A202 Q208 S209 L210 | L131-A206 HydrophobicContact CD2-CB 3.75Å; A202-A206 WeakPolarHBondContact O-CB 3.38Å; A202-A206 PolarHBondContact O-N 3.4Å; A206-Q208 VanDerWaalsContact C-N 3.26Å; A206-Q208 PolarHBondContact O-N 2.86Å; A206-S209 PolarHBondContact O-N 3.47Å; A206-S209 VanDerWaalsContact O-N 3.1Å; A206-L210 HydrophobicContact CB-CD1 4.43Å; A206-L210 WeakPolarHBondContact O-CB 3.29Å; A206-L210 WeakPolarHBondContact O-CD1 3.44Å; A206-L210 WeakPolarHBondContact O-CG 3.46Å; A206-L210 PolarHBondContact O-N 2.7Å |
| 207 | T | 77 | Confident | 80.7 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.8 | -34.5 | -179.4 | -66 | 0 | 0 | 0 | 0 | 112.7 | V160 A203 T204 K211 | V160-T207 HydrophobicContact CG1-CG2 3.84Å; V160-T207 HydrophobicContact CG2-CG2 4.35Å; A203-T207 WeakPolarHBondContact O-CB 3.3Å; A203-T207 PolarHBondContact O-N 3.31Å; A203-T207 PolarHBondContact O-OG1 3.08Å; T204-T207 PolarHBondContact O-N 3.33Å; T207-K211 HydrophobicContact CG2-CD 3.71Å; T207-K211 HydrophobicContact CG2-CG 4.39Å; T207-K211 VanDerWaalsContact O-CB 3.24Å; T207-K211 WeakPolarHBondContact O-CB 3.25Å; T207-K211 WeakPolarHBondContact O-CD 3.29Å; T207-K211 WeakPolarHBondContact O-CG 3.24Å; T207-K211 PolarHBondContact O-N 2.98Å |
| 208 | Q | 77.6 | Confident | 80.3 | Confident | 118 Ų | 118 | 59.1 Ų | 59.1 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.6 | -48.8 | 172.4 | -74.7 | 178.3 | 5.9 | 0 | 0 | 111.8 | T204 E205 A206 L210 K211 I212 | T204-Q208 HydrophobicContact CG2-CG 4.47Å; T204-Q208 WeakPolarHBondContact O-CB 3.44Å; T204-Q208 WeakPolarHBondContact O-CG 3.45Å; T204-Q208 PolarHBondContact O-N 3.23Å; E205-Q208 PolarHBondContact O-N 2.95Å; A206-Q208 VanDerWaalsContact C-N 3.26Å; A206-Q208 PolarHBondContact O-N 2.86Å; Q208-L210 VanDerWaalsContact C-N 3.31Å; Q208-L210 PolarHBondContact O-N 2.96Å; Q208-K211 PolarHBondContact O-N 3.03Å; Q208-I212 WeakPolarHBondContact O-CG1 3.42Å; Q208-I212 PolarHBondContact O-N 2.78Å |
| 209 | S | 73.5 | Confident | 79.6 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 178.1 | -156.9 | 0 | 0 | 0 | 0 | 111.8 | E138 E205 A206 I212 R213 | E138-S209 WeakPolarHBondContact OE1-CB 3.47Å; E138-S209 PolarHBondContact OE1-OG 2.94Å; E205-S209 PolarHBondContact O-N 2.92Å; E205-S209 VanDerWaalsContact O-N 3.09Å; A206-S209 PolarHBondContact O-N 3.47Å; A206-S209 VanDerWaalsContact O-N 3.1Å; S209-I212 WeakPolarHBondContact O-CB 3.25Å; S209-I212 PolarHBondContact O-N 2.89Å; S209-R213 WeakPolarHBondContact O-CB 3.41Å; S209-R213 PolarHBondContact O-N 3.36Å |
| 210 | L | 79.7 | Confident | 79.1 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.6 | -39.9 | 177.4 | -58.8 | 161 | 0 | 0 | 0 | 111.9 | L134 E138 L156 V160 A206 Q208 I212 R213 K214 | L134-L210 HydrophobicContact CB-CD1 3.86Å; L134-L210 HydrophobicContact CB-CD2 4.22Å; L134-L210 HydrophobicContact CD1-CD1 3.65Å; L134-L210 HydrophobicContact CD2-CD1 3.69Å; L134-L210 HydrophobicContact CD2-CD2 4.08Å; L134-L210 HydrophobicContact CG-CD1 3.93Å; E138-L210 HydrophobicContact CB-CD2 4.3Å; L156-L210 HydrophobicContact CD2-CB 4.29Å; L156-L210 HydrophobicContact CD2-CD2 3.38Å; L156-L210 HydrophobicContact CD2-CG 4.4Å; V160-L210 HydrophobicContact CG2-CB 4.05Å; V160-L210 HydrophobicContact CG2-CD1 4.02Å; A206-L210 HydrophobicContact CB-CD1 4.43Å; A206-L210 WeakPolarHBondContact O-CB 3.29Å; A206-L210 WeakPolarHBondContact O-CD1 3.44Å; A206-L210 WeakPolarHBondContact O-CG 3.46Å; A206-L210 PolarHBondContact O-N 2.7Å; Q208-L210 VanDerWaalsContact C-N 3.31Å; Q208-L210 PolarHBondContact O-N 2.96Å; L210-I212 VanDerWaalsContact C-N 3.32Å; L210-I212 PolarHBondContact O-N 3.17Å; L210-R213 PolarHBondContact O-N 2.94Å; L210-K214 WeakPolarHBondContact O-CB 3.45Å; L210-K214 PolarHBondContact O-N 3.42Å |
| 211 | K | 77.3 | Confident | 78.7 | Confident | 89 Ų | 89 | 58.7 Ų | 58.7 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 173 | -76.6 | 169.2 | -176.4 | 167.4 | 0 | 111.1 | E164 T207 Q208 L215 | E164-K211 IonicContact OE1-NZ 2.75Å; E164-K211 PolarHBondContact OE1-NZ 3.16Å; T207-K211 HydrophobicContact CG2-CD 3.71Å; T207-K211 HydrophobicContact CG2-CG 4.39Å; T207-K211 VanDerWaalsContact O-CB 3.24Å; T207-K211 WeakPolarHBondContact O-CB 3.25Å; T207-K211 WeakPolarHBondContact O-CD 3.29Å; T207-K211 WeakPolarHBondContact O-CG 3.24Å; T207-K211 PolarHBondContact O-N 2.98Å; Q208-K211 PolarHBondContact O-N 3.03Å; K211-L215 WeakPolarHBondContact O-CG 3.35Å; K211-L215 PolarHBondContact O-N 2.84Å; K211-L215 VanDerWaalsContact O-N 3.11Å |
| 212 | I | 76.3 | Confident | 78.3 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 55% | 0.549 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.5 | -49.1 | 172.2 | -66.6 | 163.8 | 0 | 0 | 0 | 111.6 | Q208 S209 L210 K214 L215 V216 | Q208-I212 WeakPolarHBondContact O-CG1 3.42Å; Q208-I212 PolarHBondContact O-N 2.78Å; S209-I212 WeakPolarHBondContact O-CB 3.25Å; S209-I212 PolarHBondContact O-N 2.89Å; L210-I212 VanDerWaalsContact C-N 3.32Å; L210-I212 PolarHBondContact O-N 3.17Å; I212-K214 VanDerWaalsContact C-N 3.28Å; I212-K214 PolarHBondContact O-N 2.81Å; I212-L215 WeakPolarHBondContact O-CB 3.42Å; I212-L215 PolarHBondContact O-N 3.46Å; I212-V216 PolarHBondContact O-N 2.88Å |
| 213 | R | 79.5 | Confident | 77.8 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 20% | 0.2 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 177.9 | -171.4 | 65.2 | 162.6 | 141.1 | 2.8 | 111.5 | E138 L156 S209 L210 V216 L217 | E138-R213 HydrophobicContact CG-CG 4.34Å; E138-R213 PolarHBondContact O-NE 2.86Å; E138-R213 PolarHBondContact O-NH2 2.99Å; L156-R213 HydrophobicContact CD1-CB 4.28Å; L156-R213 HydrophobicContact CD1-CG 3.98Å; S209-R213 WeakPolarHBondContact O-CB 3.41Å; S209-R213 PolarHBondContact O-N 3.36Å; L210-R213 PolarHBondContact O-N 2.94Å; R213-V216 PolarHBondContact O-N 2.66Å; R213-L217 HydrophobicContact CG-CD1 4.42Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 2.87Å |
| 214 | K | 81.6 | Confident | 77.5 | Confident | 55 Ų | 55 | 60 Ų | 60 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 172.5 | 171.6 | -177.3 | 171.6 | 170.1 | 0 | 112.9 | L156 E157 L210 I212 L217 K218 | L156-K214 HydrophobicContact CD1-CB 4.33Å; E157-K214 HydrophobicContact CG-CD 3.98Å; E157-K214 WeakPolarHBondContact OE1-CE 3.29Å; E157-K214 IonicContact OE1-NZ 2.75Å; E157-K214 PolarHBondContact OE1-NZ 3.19Å; L210-K214 WeakPolarHBondContact O-CB 3.45Å; L210-K214 PolarHBondContact O-N 3.42Å; I212-K214 VanDerWaalsContact C-N 3.28Å; I212-K214 PolarHBondContact O-N 2.81Å; K214-L217 PolarHBondContact O-N 2.69Å; K214-K218 HydrophobicContact CG-CD 4.49Å; K214-K218 WeakPolarHBondContact O-CB 3.25Å; K214-K218 WeakPolarHBondContact O-CG 3.45Å; K214-K218 PolarHBondContact O-N 3.43Å |
| 215 | L | 74.8 | Confident | 77.3 | Confident | 122 Ų | 122 | 61.6 Ų | 61.6 | 64% | 0.639 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.4 | -43.3 | 174.8 | -75.9 | 167 | 0 | 0 | 0 | 111.8 | K211 I212 L217 K218 K219 | K211-L215 WeakPolarHBondContact O-CG 3.35Å; K211-L215 PolarHBondContact O-N 2.84Å; K211-L215 VanDerWaalsContact O-N 3.11Å; I212-L215 WeakPolarHBondContact O-CB 3.42Å; I212-L215 PolarHBondContact O-N 3.46Å; L215-L217 PolarHBondContact O-N 2.93Å; L215-K218 PolarHBondContact O-N 2.7Å; L215-K219 WeakPolarHBondContact O-CB 3.38Å; L215-K219 PolarHBondContact O-N 3.35Å |
| 216 | V | 75.9 | Confident | 77.2 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.5 | -46.9 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | I212 R213 K219 H220 | I212-V216 PolarHBondContact O-N 2.88Å; R213-V216 PolarHBondContact O-N 2.66Å; V216-K219 WeakPolarHBondContact O-CB 3.5Å; V216-K219 PolarHBondContact O-N 2.76Å; V216-H220 PolarHBondContact O-N 2.86Å; V216-H220 PolarHBondContact O-ND1 2.63Å |
| 217 | L | 81.1 | Confident | 77 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.3 | -70.4 | 170.5 | 0 | 0 | 0 | 112.7 | V141 I149 A152 I153 L156 R213 K214 L215 K219 H220 S221 | V141-L217 HydrophobicContact CG1-CD2 4.47Å; V141-L217 HydrophobicContact CG2-CD2 4.37Å; I149-L217 HydrophobicContact CG1-CD2 4.31Å; I149-L217 HydrophobicContact CG2-CB 4.22Å; I149-L217 HydrophobicContact CG2-CD2 4.3Å; I149-L217 WeakPolarHBondContact CG2-O 3.44Å; A152-L217 HydrophobicContact CB-CD1 3.91Å; I153-L217 HydrophobicContact CD1-CB 3.99Å; I153-L217 HydrophobicContact CG1-CB 3.64Å; I153-L217 HydrophobicContact CG1-CD1 4.37Å; L156-L217 HydrophobicContact CD1-CD1 3.69Å; R213-L217 HydrophobicContact CG-CD1 4.42Å; R213-L217 WeakPolarHBondContact O-CG 3.34Å; R213-L217 PolarHBondContact O-N 2.87Å; K214-L217 PolarHBondContact O-N 2.69Å; L215-L217 PolarHBondContact O-N 2.93Å; L217-K219 VanDerWaalsContact C-N 3.28Å; L217-K219 PolarHBondContact O-N 2.75Å; L217-H220 PolarHBondContact O-N 3.06Å; L217-H220 VanDerWaalsContact O-N 3.13Å; L217-S221 PolarHBondContact O-N 2.87Å |
| 218 | K | 79.4 | Confident | 77.1 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 36% | 0.357 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -34 | 175.4 | -74.6 | -171.4 | -176.8 | -164.1 | 0 | 112.2 | I153 E157 K214 L215 K222 | I153-K218 HydrophobicContact CD1-CG 3.74Å; I153-K218 HydrophobicContact CG1-CG 4.21Å; I153-K218 HydrophobicContact CG2-CG 4.34Å; E157-K218 IonicContact OE1-NZ 2.68Å; E157-K218 PolarHBondContact OE1-NZ 3.41Å; E157-K218 IonicContact OE2-NZ 3.17Å; K214-K218 HydrophobicContact CG-CD 4.49Å; K214-K218 WeakPolarHBondContact O-CB 3.25Å; K214-K218 WeakPolarHBondContact O-CG 3.45Å; K214-K218 PolarHBondContact O-N 3.43Å; L215-K218 PolarHBondContact O-N 2.7Å; K218-K222 PolarHBondContact O-N 2.75Å |
| 219 | K | 73.1 | Confident | 77.2 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 172 | -171.7 | -174 | -177 | -166.3 | 0 | 112.5 | L215 V216 L217 K222 L223 A294 D295 | L215-K219 WeakPolarHBondContact O-CB 3.38Å; L215-K219 PolarHBondContact O-N 3.35Å; V216-K219 WeakPolarHBondContact O-CB 3.5Å; V216-K219 PolarHBondContact O-N 2.76Å; L217-K219 VanDerWaalsContact C-N 3.28Å; L217-K219 PolarHBondContact O-N 2.75Å; K219-K222 PolarHBondContact O-N 2.87Å; K219-L223 PolarHBondContact O-N 3.23Å; K219-L223 VanDerWaalsContact O-N 3.16Å; K219-A294 PolarHBondContact NZ-O 2.91Å; K219-D295 WeakPolarHBondContact CD-OD1 3.43Å; K219-D295 WeakPolarHBondContact CE-OD1 3.42Å; K219-D295 VanDerWaalsContact NZ-CA 3.33Å; K219-D295 IonicContact NZ-OD1 3.76Å; K219-D295 PolarHBondContact NZ-OD1 2.96Å |
| 220 | H | 74.1 | Confident | 77.6 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 7% | 0.069 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 175.3 | -74.5 | 58.1 | 0 | 0 | 0 | 112.1 | Y144 I149 V216 L217 K222 L223 L224 D295 R297 | Y144-H220 AromaticContact CD1-CD2 3.52Å; Y144-H220 AromaticContact CE1-CD2 3.26Å; Y144-H220 WeakPolarHBondContact CE1-CD2 3.34Å; Y144-H220 AromaticContact CE1-NE2 3.59Å; I149-H220 HydrophobicContact CD1-CB 4.09Å; V216-H220 PolarHBondContact O-N 2.86Å; V216-H220 PolarHBondContact O-ND1 2.63Å; L217-H220 PolarHBondContact O-N 3.06Å; L217-H220 VanDerWaalsContact O-N 3.13Å; H220-K222 PolarHBondContact O-N 3.12Å; H220-L223 PolarHBondContact O-N 2.79Å; H220-L223 VanDerWaalsContact O-N 3.17Å; H220-L224 PolarHBondContact O-N 2.58Å; H220-L224 VanDerWaalsContact O-N 3.1Å; H220-D295 IonicContact CE1-OD2 2.74Å; H220-D295 PolarHBondContact CE1-OD2 2.82Å; H220-D295 IonicContact NE2-OD2 3.65Å; H220-R297 PolarHBondContact CD2-NH2 2.85Å; H220-R297 PolarHBondContact NE2-NH2 3.42Å |
| 221 | S | 78.3 | Confident | 77.6 | Confident | 22 Ų | 22 | 60 Ų | 60 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 174.7 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | L217 L223 L224 E225 | L217-S221 PolarHBondContact O-N 2.87Å; S221-L223 VanDerWaalsContact C-N 3.27Å; S221-L223 PolarHBondContact O-N 3.01Å; S221-L224 PolarHBondContact O-N 2.61Å; S221-E225 WeakPolarHBondContact O-CB 3.34Å; S221-E225 PolarHBondContact O-N 2.86Å |
| 222 | K | 76.2 | Confident | 77.8 | Confident | 128 Ų | 128 | 60.8 Ų | 60.8 | 56% | 0.557 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.9 | -32.4 | 176.3 | -75.6 | -169.9 | 172.4 | -168.4 | 0 | 113.3 | K218 K219 H220 C226 | K218-K222 PolarHBondContact O-N 2.75Å; K219-K222 PolarHBondContact O-N 2.87Å; H220-K222 PolarHBondContact O-N 3.12Å; K222-C226 WeakPolarHBondContact O-CB 2.96Å; K222-C226 PolarHBondContact O-N 3.31Å; K222-C226 PolarHBondContact O-SG 3.18Å |
| 223 | L | 75.5 | Confident | 78.1 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.2 | -38.4 | 179.4 | -162.9 | 151.3 | 0 | 0 | 0 | 111.3 | K219 H220 S221 E227 Y288 L291 | K219-L223 PolarHBondContact O-N 3.23Å; K219-L223 VanDerWaalsContact O-N 3.16Å; H220-L223 PolarHBondContact O-N 2.79Å; H220-L223 VanDerWaalsContact O-N 3.17Å; S221-L223 VanDerWaalsContact C-N 3.27Å; S221-L223 PolarHBondContact O-N 3.01Å; L223-E227 PolarHBondContact O-N 3.47Å; L223-Y288 HydrophobicContact CD2-CE2 3.67Å; L223-Y288 HydrophobicContact CG-CE2 4.06Å; L223-Y288 VanDerWaalsContact O-CE2 3.29Å; L223-Y288 WeakPolarHBondContact O-CE2 3.21Å; L223-L291 HydrophobicContact CD1-CB 4.32Å |
| 224 | L | 76.1 | Confident | 78.3 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.1 | -46.5 | 170.9 | -70.6 | 170 | 0 | 0 | 0 | 112.1 | I149 H220 S221 C226 E227 E228 | I149-L224 HydrophobicContact CD1-CD1 3.68Å; H220-L224 PolarHBondContact O-N 2.58Å; H220-L224 VanDerWaalsContact O-N 3.1Å; S221-L224 PolarHBondContact O-N 2.61Å; L224-C226 VanDerWaalsContact C-N 3.29Å; L224-C226 PolarHBondContact O-N 3.5Å; L224-E227 WeakPolarHBondContact O-CA 3.41Å; L224-E227 WeakPolarHBondContact O-CB 3.43Å; L224-E227 PolarHBondContact O-N 2.82Å; L224-E228 PolarHBondContact O-N 3.39Å |
| 225 | E | 77.4 | Confident | 78.3 | Confident | 99 Ų | 99 | 52 Ų | 52 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.5 | -41.4 | 176.3 | -178 | 178.9 | -165.7 | 0 | 0 | 111.6 | S221 E227 N229 | S221-E225 WeakPolarHBondContact O-CB 3.34Å; S221-E225 PolarHBondContact O-N 2.86Å; E225-E227 VanDerWaalsContact C-N 3.34Å; E225-E227 PolarHBondContact O-N 3.48Å; E225-N229 WeakPolarHBondContact O-CB 3.29Å; E225-N229 PolarHBondContact O-N 2.91Å; E225-N229 VanDerWaalsContact O-N 3.12Å; E225-N229 PolarHBondContact O-ND2 2.95Å |
| 226 | C | 77.4 | Confident | 78.7 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 14% | 0.135 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.1 | -23.7 | 173.5 | -69.8 | 0 | 0 | 0 | 0 | 114.1 | K222 L224 V230 Y288 L291 | K222-C226 WeakPolarHBondContact O-CB 2.96Å; K222-C226 PolarHBondContact O-N 3.31Å; K222-C226 PolarHBondContact O-SG 3.18Å; L224-C226 VanDerWaalsContact C-N 3.29Å; L224-C226 PolarHBondContact O-N 3.5Å; C226-V230 WeakPolarHBondContact O-CG2 3.5Å; C226-Y288 HydrophobicContact CB-CD2 3.85Å; C226-L291 HydrophobicContact CB-CD1 4.41Å |
| 227 | E | 74.3 | Confident | 79.2 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -78.3 | -40.9 | 173.7 | 173.1 | 154 | -170.7 | 0 | 0 | 111.5 | L223 L224 E225 V230 Y231 Y288 I303 | L223-E227 PolarHBondContact O-N 3.47Å; L224-E227 WeakPolarHBondContact O-CA 3.41Å; L224-E227 WeakPolarHBondContact O-CB 3.43Å; L224-E227 PolarHBondContact O-N 2.82Å; E225-E227 VanDerWaalsContact C-N 3.34Å; E225-E227 PolarHBondContact O-N 3.48Å; E227-V230 PolarHBondContact O-N 3.48Å; E227-Y231 HydrophobicContact CG-CD2 4.18Å; E227-Y231 HydrophobicContact CG-CE2 3.37Å; E227-Y231 WeakPolarHBondContact O-CD2 3.25Å; E227-Y231 PolarHBondContact O-N 2.9Å; E227-Y231 PolarHBondContact OE1-OH 2.81Å; E227-Y288 HydrophobicContact CB-CD2 4.29Å; E227-Y288 HydrophobicContact CB-CE2 3.69Å; E227-Y288 PolarHBondContact OE2-OH 2.88Å; E227-I303 HydrophobicContact CB-CD1 4.46Å; E227-I303 VanDerWaalsContact CD-CD1 3.41Å; E227-I303 HydrophobicContact CG-CD1 3.98Å; E227-I303 WeakPolarHBondContact OE2-CD1 3.25Å |
| 228 | E | 79.5 | Confident | 79.2 | Confident | 123 Ų | 123 | 52.2 Ų | 52.2 | 58% | 0.575 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.4 | -54.1 | 175.3 | -168.2 | 162.3 | -141 | 0 | 0 | 111.4 | L224 V230 Y231 E232 | L224-E228 PolarHBondContact O-N 3.39Å; E228-V230 PolarHBondContact O-N 3.45Å; E228-V230 VanDerWaalsContact O-N 3.13Å; E228-Y231 PolarHBondContact O-N 2.83Å; E228-E232 PolarHBondContact O-N 3.07Å; E228-E232 VanDerWaalsContact O-N 3.16Å |
| 229 | N | 81 | Confident | 79.4 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.8 | -30.1 | 176.5 | -78.2 | -70.9 | 0 | 0 | 0 | 113.5 | E225 S233 L284 | E225-N229 WeakPolarHBondContact O-CB 3.29Å; E225-N229 PolarHBondContact O-N 2.91Å; E225-N229 VanDerWaalsContact O-N 3.12Å; E225-N229 PolarHBondContact O-ND2 2.95Å; N229-S233 VanDerWaalsContact O-CB 3.31Å; N229-S233 WeakPolarHBondContact O-CB 3.41Å; N229-S233 PolarHBondContact O-N 2.8Å; N229-S233 VanDerWaalsContact O-N 3.13Å; N229-S233 PolarHBondContact O-OG 2.81Å; N229-L284 HydrophobicContact CB-CD1 3.78Å; N229-L284 HydrophobicContact CB-CD2 4.14Å |
| 230 | V | 80.4 | Confident | 80 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.3 | -37.7 | 176.8 | 161.9 | 0 | 0 | 0 | 0 | 111.8 | C226 E227 E228 I234 L284 L285 | C226-V230 WeakPolarHBondContact O-CG2 3.5Å; E227-V230 PolarHBondContact O-N 3.48Å; E228-V230 PolarHBondContact O-N 3.45Å; E228-V230 VanDerWaalsContact O-N 3.13Å; V230-I234 HydrophobicContact CG1-CD1 4.04Å; V230-I234 WeakPolarHBondContact O-CD1 3.35Å; V230-I234 VanDerWaalsContact O-CG1 3.31Å; V230-I234 WeakPolarHBondContact O-CG1 3.48Å; V230-I234 PolarHBondContact O-N 3.08Å; V230-L284 HydrophobicContact CG2-CB 3.61Å; V230-L284 HydrophobicContact CG2-CD1 4.28Å; V230-L285 HydrophobicContact CG1-CD2 3.79Å; V230-L285 HydrophobicContact CG1-CG 4.43Å; V230-L285 HydrophobicContact CG2-CD2 4.2Å; V230-L285 HydrophobicContact CG2-CG 4.35Å |
| 231 | Y | 80.7 | Confident | 80.5 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 31% | 0.306 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.3 | -44.6 | 176.8 | -64.2 | -60.8 | 0 | 0 | 0 | 111.7 | E227 E228 I234 G235 N302 S306 | E227-Y231 HydrophobicContact CG-CD2 4.18Å; E227-Y231 HydrophobicContact CG-CE2 3.37Å; E227-Y231 WeakPolarHBondContact O-CD2 3.25Å; E227-Y231 PolarHBondContact O-N 2.9Å; E227-Y231 PolarHBondContact OE1-OH 2.81Å; E228-Y231 PolarHBondContact O-N 2.83Å; Y231-I234 PolarHBondContact O-N 2.98Å; Y231-G235 PolarHBondContact O-N 2.74Å; Y231-N302 WeakPolarHBondContact OH-CB 3.41Å; Y231-S306 WeakPolarHBondContact CE1-OG 3.33Å |
| 232 | E | 81.9 | Confident | 80.6 | Confident | 104 Ų | 104 | 56.5 Ų | 56.5 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 178.3 | -65.9 | -170 | 148.6 | 0 | 0 | 111.6 | E228 I234 G235 W236 | E228-E232 PolarHBondContact O-N 3.07Å; E228-E232 VanDerWaalsContact O-N 3.16Å; E232-I234 PolarHBondContact O-N 2.71Å; E232-G235 WeakPolarHBondContact O-CA 3.21Å; E232-G235 PolarHBondContact O-N 2.93Å; E232-W236 PolarHBondContact O-N 2.84Å |
| 233 | S | 81.4 | Confident | 80.8 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -28.1 | -179.7 | -54.7 | 0 | 0 | 0 | 0 | 113.2 | N229 I237 T277 Y280 C281 | N229-S233 VanDerWaalsContact O-CB 3.31Å; N229-S233 WeakPolarHBondContact O-CB 3.41Å; N229-S233 PolarHBondContact O-N 2.8Å; N229-S233 VanDerWaalsContact O-N 3.13Å; N229-S233 PolarHBondContact O-OG 2.81Å; S233-I237 WeakPolarHBondContact O-CG1 3.44Å; S233-I237 PolarHBondContact O-N 3.02Å; S233-T277 WeakPolarHBondContact O-CG2 3.07Å; S233-Y280 WeakPolarHBondContact OG-CD1 3.41Å; S233-Y280 WeakPolarHBondContact OG-CE1 3.5Å; S233-C281 WeakPolarHBondContact CB-SG 3.39Å |
| 234 | I | 84 | Confident | 81 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -76.9 | -39.4 | 171.8 | -72.5 | 167.5 | 0 | 0 | 0 | 111 | V230 Y231 E232 W236 I237 E238 S306 R309 L310 | V230-I234 HydrophobicContact CG1-CD1 4.04Å; V230-I234 WeakPolarHBondContact O-CD1 3.35Å; V230-I234 VanDerWaalsContact O-CG1 3.31Å; V230-I234 WeakPolarHBondContact O-CG1 3.48Å; V230-I234 PolarHBondContact O-N 3.08Å; Y231-I234 PolarHBondContact O-N 2.98Å; E232-I234 PolarHBondContact O-N 2.71Å; I234-W236 VanDerWaalsContact C-N 3.32Å; I234-W236 PolarHBondContact O-N 2.68Å; I234-I237 PolarHBondContact O-N 2.75Å; I234-E238 PolarHBondContact O-N 3.25Å; I234-S306 VanDerWaalsContact CD1-CB 3.48Å; I234-S306 VanDerWaalsContact CD1-O 3.32Å; I234-S306 WeakPolarHBondContact CD1-O 3.47Å; I234-R309 HydrophobicContact CG2-CB 4.13Å; I234-L310 HydrophobicContact CD1-CB 4.49Å; I234-L310 HydrophobicContact CG1-CB 4.47Å; I234-L310 HydrophobicContact CG1-CD1 4.29Å |
| 235 | G | 81.6 | Confident | 81 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.5 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y231 E232 I237 E238 E239 | Y231-G235 PolarHBondContact O-N 2.74Å; E232-G235 WeakPolarHBondContact O-CA 3.21Å; E232-G235 PolarHBondContact O-N 2.93Å; G235-I237 VanDerWaalsContact C-N 3.28Å; G235-I237 PolarHBondContact O-N 3.3Å; G235-E238 PolarHBondContact O-N 2.93Å; G235-E238 VanDerWaalsContact O-N 3.14Å; G235-E239 WeakPolarHBondContact O-CB 3.26Å; G235-E239 PolarHBondContact O-N 3.16Å |
| 236 | W | 83.2 | Confident | 80.7 | Confident | 133 Ų | 133 | 52.8 Ų | 52.8 | 50% | 0.504 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61 | -33 | 173.5 | -64.8 | -13.8 | 0 | 0 | 0 | 113.1 | E232 I234 L240 T277 | E232-W236 PolarHBondContact O-N 2.84Å; I234-W236 VanDerWaalsContact C-N 3.32Å; I234-W236 PolarHBondContact O-N 2.68Å; W236-L240 WeakPolarHBondContact O-CB 3.47Å; W236-L240 WeakPolarHBondContact O-CD1 3.48Å; W236-L240 WeakPolarHBondContact O-CG 2.89Å; W236-L240 PolarHBondContact O-N 3.01Å; W236-T277 HydrophobicContact CB-CG2 4.31Å; W236-T277 HydrophobicContact CE3-CG2 4.14Å |
| 237 | I | 85.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.7 | -30.1 | 176.7 | -70.3 | 171.6 | 0 | 0 | 0 | 111.8 | S233 I234 G235 Y241 T277 L310 I313 L317 | S233-I237 WeakPolarHBondContact O-CG1 3.44Å; S233-I237 PolarHBondContact O-N 3.02Å; I234-I237 PolarHBondContact O-N 2.75Å; G235-I237 VanDerWaalsContact C-N 3.28Å; G235-I237 PolarHBondContact O-N 3.3Å; I237-Y241 WeakPolarHBondContact O-CB 3.39Å; I237-Y241 PolarHBondContact O-N 2.91Å; I237-T277 HydrophobicContact CD1-CG2 3.97Å; I237-T277 HydrophobicContact CG1-CG2 3.82Å; I237-L310 HydrophobicContact CD1-CD1 3.48Å; I237-L310 VanDerWaalsContact CD1-CD1 3.48Å; I237-I313 HydrophobicContact CG2-CG2 3.93Å; I237-L317 HydrophobicContact CG2-CD2 4.14Å |
| 238 | E | 82.9 | Confident | 80.1 | Confident | 51 Ų | 51 | 54 Ų | 54 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -46.7 | 170.1 | -70.6 | 171.9 | 177.5 | 0 | 0 | 110.6 | I234 G235 L240 Y241 E242 R309 I313 | I234-E238 PolarHBondContact O-N 3.25Å; G235-E238 PolarHBondContact O-N 2.93Å; G235-E238 VanDerWaalsContact O-N 3.14Å; E238-L240 PolarHBondContact O-N 3.36Å; E238-Y241 WeakPolarHBondContact O-CB 3.48Å; E238-Y241 PolarHBondContact O-N 3.5Å; E238-Y241 VanDerWaalsContact O-N 3.12Å; E238-E242 PolarHBondContact O-N 3.41Å; E238-R309 IonicContact OE1-CZ 2.98Å; E238-R309 VanDerWaalsContact OE1-CZ 3.26Å; E238-R309 IonicContact OE1-NE 2.61Å; E238-R309 PolarHBondContact OE1-NE 3.4Å; E238-R309 IonicContact OE1-NH2 2.91Å; E238-R309 PolarHBondContact OE1-NH2 3.08Å; E238-R309 IonicContact OE2-CZ 2.66Å; E238-R309 IonicContact OE2-NH2 3.58Å; E238-R309 PolarHBondContact OE2-NH2 2.82Å; E238-I313 HydrophobicContact CG-CD1 3.32Å; E238-I313 HydrophobicContact CG-CG1 4.36Å; E238-I313 WeakPolarHBondContact OE1-CD1 3.49Å |
| 239 | E | 82.3 | Confident | 79.3 | Confident | 109 Ų | 109 | 54.6 Ų | 54.6 | 51% | 0.509 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 175.5 | -176.3 | -176.3 | 178.2 | 0 | 0 | 112.8 | G235 Y241 E242 N243 | G235-E239 WeakPolarHBondContact O-CB 3.26Å; G235-E239 PolarHBondContact O-N 3.16Å; E239-Y241 VanDerWaalsContact C-N 3.28Å; E239-Y241 PolarHBondContact O-N 2.77Å; E239-E242 PolarHBondContact O-N 3.05Å; E239-N243 WeakPolarHBondContact O-CB 2.97Å; E239-N243 PolarHBondContact O-N 3.36Å; E239-N243 PolarHBondContact O-ND2 3.24Å |
| 240 | L | 84.9 | Confident | 78.3 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 174.5 | -72.3 | 160.9 | 0 | 0 | 0 | 112 | W236 E238 I244 I270 Q273 | W236-L240 WeakPolarHBondContact O-CB 3.47Å; W236-L240 WeakPolarHBondContact O-CD1 3.48Å; W236-L240 WeakPolarHBondContact O-CG 2.89Å; W236-L240 PolarHBondContact O-N 3.01Å; E238-L240 PolarHBondContact O-N 3.36Å; L240-I244 WeakPolarHBondContact O-CD1 3.37Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 3Å; L240-I270 HydrophobicContact CD2-CG2 3.82Å; L240-Q273 HydrophobicContact CD1-CG 3.93Å; L240-Q273 HydrophobicContact CD2-CB 4.35Å; L240-Q273 HydrophobicContact CD2-CG 3.9Å |
| 241 | Y | 85.4 | Confident | 77.3 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 9% | 0.09 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -46.5 | 175.2 | 178.1 | -93.2 | 0 | 0 | 0 | 111.7 | I237 E238 E239 N243 I244 E245 I313 K316 L317 R320 | I237-Y241 WeakPolarHBondContact O-CB 3.39Å; I237-Y241 PolarHBondContact O-N 2.91Å; E238-Y241 WeakPolarHBondContact O-CB 3.48Å; E238-Y241 PolarHBondContact O-N 3.5Å; E238-Y241 VanDerWaalsContact O-N 3.12Å; E239-Y241 VanDerWaalsContact C-N 3.28Å; E239-Y241 PolarHBondContact O-N 2.77Å; Y241-N243 PolarHBondContact O-N 3.49Å; Y241-I244 PolarHBondContact O-N 3.23Å; Y241-E245 WeakPolarHBondContact CE1-OE2 3.29Å; Y241-E245 WeakPolarHBondContact O-CB 3.26Å; Y241-E245 PolarHBondContact O-N 3.35Å; Y241-E245 VanDerWaalsContact OH-CD 3.3Å; Y241-E245 PolarHBondContact OH-OE1 3.28Å; Y241-E245 PolarHBondContact OH-OE2 3.47Å; Y241-I313 HydrophobicContact CD2-CG2 4.47Å; Y241-I313 HydrophobicContact CG-CG2 4.21Å; Y241-K316 HydrophobicContact CD2-CB 4.14Å; Y241-K316 HydrophobicContact CE2-CB 3.42Å; Y241-K316 VanDerWaalsContact CE2-CB 3.42Å; Y241-K316 PolarHBondContact OH-NZ 2.95Å; Y241-L317 HydrophobicContact CD2-CB 4.11Å; Y241-L317 HydrophobicContact CD2-CD1 4.28Å; Y241-R320 HydrophobicContact CE2-CG 4.5Å |
| 242 | E | 81.2 | Confident | 76.5 | Confident | 128 Ų | 128 | 54.3 Ų | 54.3 | 60% | 0.598 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | 176.9 | -70.1 | -179.7 | 177.8 | 0 | 0 | 111.7 | E238 E239 I244 E245 V246 | E238-E242 PolarHBondContact O-N 3.41Å; E239-E242 PolarHBondContact O-N 3.05Å; E242-I244 PolarHBondContact O-N 3.01Å; E242-E245 PolarHBondContact O-N 2.9Å; E242-V246 WeakPolarHBondContact O-CG2 3.19Å; E242-V246 PolarHBondContact O-N 3.08Å |
| 243 | N | 79.4 | Confident | 76.3 | Confident | 87 Ų | 87 | 49.5 Ų | 49.5 | 47% | 0.465 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -37.4 | 176 | -80.4 | -71.5 | 0 | 0 | 0 | 113.3 | E239 Y241 M247 | E239-N243 WeakPolarHBondContact O-CB 2.97Å; E239-N243 PolarHBondContact O-N 3.36Å; E239-N243 PolarHBondContact O-ND2 3.24Å; Y241-N243 PolarHBondContact O-N 3.49Å; N243-M247 WeakPolarHBondContact O-CG 3.24Å; N243-M247 PolarHBondContact O-N 3.14Å |
| 244 | I | 79.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73 | -36.7 | 175 | -76.6 | 160.1 | 0 | 0 | 0 | 111.6 | L240 Y241 E242 V246 M247 Y248 I270 L317 R320 L321 | L240-I244 WeakPolarHBondContact O-CD1 3.37Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 3Å; Y241-I244 PolarHBondContact O-N 3.23Å; E242-I244 PolarHBondContact O-N 3.01Å; I244-V246 VanDerWaalsContact C-N 3.32Å; I244-M247 PolarHBondContact O-N 2.95Å; I244-Y248 VanDerWaalsContact O-CB 3.23Å; I244-Y248 WeakPolarHBondContact O-CB 3.38Å; I244-Y248 PolarHBondContact O-N 2.94Å; I244-I270 HydrophobicContact CD1-CB 4.37Å; I244-I270 HydrophobicContact CD1-CG2 3.4Å; I244-I270 VanDerWaalsContact CD1-CG2 3.4Å; I244-I270 HydrophobicContact CG1-CD1 4.41Å; I244-I270 HydrophobicContact CG1-CG2 3.98Å; I244-L317 HydrophobicContact CD1-CD1 3.49Å; I244-L317 VanDerWaalsContact CD1-CD1 3.49Å; I244-R320 HydrophobicContact CG2-CB 3.73Å; I244-L321 HydrophobicContact CD1-CD1 4.19Å; I244-L321 HydrophobicContact CD1-CD2 3.66Å; I244-L321 HydrophobicContact CD1-CG 3.76Å; I244-L321 HydrophobicContact CG1-CD2 4.48Å |
| 245 | E | 76.6 | Confident | 75.4 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 28% | 0.276 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 175.4 | -161.7 | 146.3 | -108.8 | 0 | 0 | 110.2 | Y241 E242 Y248 E249 | Y241-E245 WeakPolarHBondContact CE1-OE2 3.29Å; Y241-E245 WeakPolarHBondContact O-CB 3.26Å; Y241-E245 PolarHBondContact O-N 3.35Å; Y241-E245 VanDerWaalsContact OH-CD 3.3Å; Y241-E245 PolarHBondContact OH-OE1 3.28Å; Y241-E245 PolarHBondContact OH-OE2 3.47Å; E242-E245 PolarHBondContact O-N 2.9Å; E245-Y248 WeakPolarHBondContact O-CB 3.37Å; E245-Y248 PolarHBondContact O-N 3.37Å; E245-E249 WeakPolarHBondContact O-CG 3.48Å; E245-E249 PolarHBondContact O-N 2.96Å |
| 246 | V | 70.9 | Confident | 75.3 | Confident | 71 Ų | 71 | 54 Ų | 54 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -50.2 | 169.8 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | E242 I244 Y248 E249 E250 | E242-V246 WeakPolarHBondContact O-CG2 3.19Å; E242-V246 PolarHBondContact O-N 3.08Å; I244-V246 VanDerWaalsContact C-N 3.32Å; V246-Y248 PolarHBondContact O-N 2.83Å; V246-E249 PolarHBondContact O-N 2.65Å; V246-E249 VanDerWaalsContact O-N 3.11Å; V246-E250 HydrophobicContact CG1-CG 4.32Å; V246-E250 WeakPolarHBondContact O-CB 3.46Å; V246-E250 WeakPolarHBondContact O-CG 3.15Å; V246-E250 PolarHBondContact O-N 3.47Å |
| 247 | M | 69.8 | Low | 75.3 | Confident | 30 Ų | 30 | 50.8 Ų | 50.8 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.8 | -30.8 | 177.5 | -77.8 | -173.8 | 66 | 0 | 0 | 113.1 | N243 I244 N251 C252 L263 I270 L324 | N243-M247 WeakPolarHBondContact O-CG 3.24Å; N243-M247 PolarHBondContact O-N 3.14Å; I244-M247 PolarHBondContact O-N 2.95Å; M247-N251 PolarHBondContact O-N 2.8Å; M247-C252 PolarHBondContact O-N 3.04Å; M247-L263 HydrophobicContact CE-CD2 3.89Å; M247-I270 HydrophobicContact SD-CD1 3.85Å; M247-L324 HydrophobicContact CE-CD2 4.2Å |
| 248 | Y | 68.8 | Low | 74.9 | Confident | 47 Ų | 47 | 56.7 Ų | 56.7 | 18% | 0.184 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -74.6 | -41.8 | 175.8 | 176.3 | -87.7 | 0 | 0 | 0 | 111.9 | I244 E245 V246 N251 E323 R327 | I244-Y248 VanDerWaalsContact O-CB 3.23Å; I244-Y248 WeakPolarHBondContact O-CB 3.38Å; I244-Y248 PolarHBondContact O-N 2.94Å; E245-Y248 WeakPolarHBondContact O-CB 3.37Å; E245-Y248 PolarHBondContact O-N 3.37Å; V246-Y248 PolarHBondContact O-N 2.83Å; Y248-N251 WeakPolarHBondContact O-CA 3.33Å; Y248-N251 PolarHBondContact O-N 2.78Å; Y248-N251 PolarHBondContact O-ND2 2.66Å; Y248-E323 HydrophobicContact CE2-CG 4.37Å; Y248-E323 WeakPolarHBondContact CE2-OE2 3.4Å; Y248-E323 PolarHBondContact OH-OE1 2.76Å; Y248-E323 PolarHBondContact OH-OE2 3.37Å; Y248-R327 PolarHBondContact OH-NH2 2.62Å |
| 249 | E | 63.6 | Low | 74.8 | Confident | 134 Ų | 134 | 57.8 Ų | 57.8 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.7 | -36.7 | 172.5 | -73.7 | -178.6 | 178.5 | 0 | 0 | 112.6 | E245 V246 N251 | E245-E249 WeakPolarHBondContact O-CG 3.48Å; E245-E249 PolarHBondContact O-N 2.96Å; V246-E249 PolarHBondContact O-N 2.65Å; V246-E249 VanDerWaalsContact O-N 3.11Å; E249-N251 PolarHBondContact O-N 3.01Å; E249-N251 PolarHBondContact O-ND2 2.9Å |
| 250 | E | 60.6 | Low | 74.8 | Confident | 69 Ų | 69 | 52.6 Ų | 52.6 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.8 | 169.9 | -71 | -173.9 | 162.8 | 0 | 0 | 113.4 | V246 C252 | V246-E250 HydrophobicContact CG1-CG 4.32Å; V246-E250 WeakPolarHBondContact O-CB 3.46Å; V246-E250 WeakPolarHBondContact O-CG 3.15Å; V246-E250 PolarHBondContact O-N 3.47Å; E250-C252 PolarHBondContact O-N 2.93Å |
| 251 | N | 57.9 | Low | 74.7 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 35.7 | 179.2 | -75.6 | -91.2 | 0 | 0 | 0 | 113.6 | M247 Y248 E249 V253 R327 P405 T420 | M247-N251 PolarHBondContact O-N 2.8Å; Y248-N251 WeakPolarHBondContact O-CA 3.33Å; Y248-N251 PolarHBondContact O-N 2.78Å; Y248-N251 PolarHBondContact O-ND2 2.66Å; E249-N251 PolarHBondContact O-N 3.01Å; E249-N251 PolarHBondContact O-ND2 2.9Å; N251-V253 PolarHBondContact O-N 3.26Å; N251-R327 PolarHBondContact OD1-NH1 3.07Å; N251-P405 WeakPolarHBondContact OD1-CD 3.42Å; N251-T420 HydrophobicContact CB-CG2 3.58Å |
| 252 | C | 64.9 | Low | 74.5 | Confident | 24 Ų | 24 | 56 Ų | 56 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | trans | -67.3 | 96.4 | -176.5 | -83 | 0 | 0 | 0 | 0 | 112.7 | M247 E250 L263 | M247-C252 PolarHBondContact O-N 3.04Å; E250-C252 PolarHBondContact O-N 2.93Å; C252-L263 HydrophobicContact CB-CD1 4.06Å; C252-L263 HydrophobicContact CB-CD2 3.9Å | ||
| 253 | V | 76.8 | Confident | 74.6 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | trans | -109.9 | -6.1 | 167.7 | -56.3 | 0 | 0 | 0 | 0 | 114 | N251 S260 R327 A331 L404 V423 | N251-V253 PolarHBondContact O-N 3.26Å; V253-S260 VanDerWaalsContact O-CB 3.29Å; V253-S260 WeakPolarHBondContact O-CB 3.37Å; V253-R327 HydrophobicContact CG1-CB 3.78Å; V253-A331 HydrophobicContact CB-CB 3.82Å; V253-A331 HydrophobicContact CG2-CB 3.97Å; V253-L404 HydrophobicContact CG1-CD2 4.11Å; V253-L404 HydrophobicContact CG2-CD1 4.36Å; V253-L404 HydrophobicContact CG2-CD2 3.97Å; V253-V423 HydrophobicContact CG2-CG1 3.69Å | ||
| 254 | G | 71.9 | Confident | 74.9 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | trans | 85.6 | 144.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y335 | G254-Y335 WeakPolarHBondContact O-CE2 3.27Å; G254-Y335 PolarHBondContact O-OH 3.14Å; G254-Y335 VanDerWaalsContact O-OH 3.08Å | ||
| 255 | K | 76.1 | Confident | 75 | Confident | 68 Ų | 68 | 50.7 Ų | 50.7 | 30% | 0.296 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -83.9 | -10.3 | -178 | -61.2 | 173.1 | -179.2 | -176.2 | 0 | 113.8 | E259 Y335 V423 V426 | K255-E259 VanDerWaalsContact CB-OE2 3.3Å; K255-E259 WeakPolarHBondContact CB-OE2 3.32Å; K255-E259 WeakPolarHBondContact CG-OE2 3.31Å; K255-E259 PolarHBondContact N-OE2 3.43Å; K255-Y335 VanDerWaalsContact C-CZ 3.5Å; K255-Y335 VanDerWaalsContact C-OH 3.26Å; K255-Y335 PolarHBondContact O-OH 3.07Å; K255-V423 HydrophobicContact CB-CG2 4.45Å; K255-V423 HydrophobicContact CG-CG2 3.74Å; K255-V426 WeakPolarHBondContact O-CG1 3.21Å |
| 256 | N | 78.2 | Confident | 75.2 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -155.9 | 176.7 | -178.1 | 57.4 | 68.7 | 0 | 0 | 0 | 110.3 | L258 E259 S260 | N256-L258 PolarHBondContact O-N 3.31Å; N256-L258 WeakPolarHBondContact OD1-CB 3.47Å; N256-L258 PolarHBondContact OD1-N 2.86Å; N256-L258 VanDerWaalsContact OD1-N 3.07Å; N256-E259 VanDerWaalsContact ND2-CD 3.32Å; N256-E259 PolarHBondContact ND2-OE1 2.95Å; N256-E259 PolarHBondContact O-N 3.45Å; N256-E259 PolarHBondContact OD1-N 3.03Å; N256-S260 PolarHBondContact O-N 2.81Å; N256-S260 PolarHBondContact O-OG 3.12Å |
| 257 | Q | 83 | Confident | 75.8 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.9 | -51.4 | 179.6 | -178.3 | -172.2 | -37.2 | 0 | 0 | 111.9 | E259 S260 E261 V336 | Q257-E259 PolarHBondContact O-N 3.38Å; Q257-S260 WeakPolarHBondContact CA-OG 3.43Å; Q257-S260 CarbonylContact O-C 3.44Å; Q257-S260 PolarHBondContact O-N 2.96Å; Q257-S260 VanDerWaalsContact O-N 3.13Å; Q257-S260 PolarHBondContact O-OG 3.46Å; Q257-E261 HydrophobicContact CG-CG 4.23Å; Q257-E261 WeakPolarHBondContact CG-OE2 3.31Å; Q257-E261 PolarHBondContact NE2-OE2 2.96Å; Q257-E261 WeakPolarHBondContact O-CB 3.28Å; Q257-E261 WeakPolarHBondContact O-CG 3.32Å; Q257-E261 PolarHBondContact O-N 3.4Å; Q257-V336 HydrophobicContact CG-CG2 3.79Å |
| 258 | L | 78.6 | Confident | 76.5 | Confident | 124 Ų | 124 | 49.2 Ų | 49.2 | 65% | 0.649 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.9 | -43.4 | -175.1 | -69.2 | 164 | 0 | 0 | 0 | 111.7 | N256 E261 D262 | N256-L258 PolarHBondContact O-N 3.31Å; N256-L258 WeakPolarHBondContact OD1-CB 3.47Å; N256-L258 PolarHBondContact OD1-N 2.86Å; N256-L258 VanDerWaalsContact OD1-N 3.07Å; L258-E261 PolarHBondContact O-N 2.92Å; L258-D262 WeakPolarHBondContact O-CB 3.4Å; L258-D262 PolarHBondContact O-N 2.83Å |
| 259 | E | 81.1 | Confident | 77 | Confident | 73 Ų | 73 | 47.6 Ų | 47.6 | 34% | 0.341 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64 | -40.3 | 174.6 | -72.9 | 173.4 | -141.9 | 0 | 0 | 112.3 | K255 N256 Q257 E261 D262 L263 | K255-E259 VanDerWaalsContact CB-OE2 3.3Å; K255-E259 WeakPolarHBondContact CB-OE2 3.32Å; K255-E259 WeakPolarHBondContact CG-OE2 3.31Å; K255-E259 PolarHBondContact N-OE2 3.43Å; N256-E259 VanDerWaalsContact ND2-CD 3.32Å; N256-E259 PolarHBondContact ND2-OE1 2.95Å; N256-E259 PolarHBondContact O-N 3.45Å; N256-E259 PolarHBondContact OD1-N 3.03Å; Q257-E259 PolarHBondContact O-N 3.38Å; E259-E261 VanDerWaalsContact C-N 3.27Å; E259-E261 PolarHBondContact O-N 2.99Å; E259-D262 PolarHBondContact O-N 3.19Å; E259-L263 VanDerWaalsContact O-CB 3.31Å; E259-L263 WeakPolarHBondContact O-CB 3.41Å; E259-L263 WeakPolarHBondContact O-CD1 3.36Å; E259-L263 WeakPolarHBondContact O-CG 3.32Å; E259-L263 PolarHBondContact O-N 3.21Å |
| 260 | S | 82.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.2 | -26.6 | 174.9 | 71.4 | 0 | 0 | 0 | 0 | 112.7 | V253 N256 Q257 L264 T328 K332 | V253-S260 VanDerWaalsContact O-CB 3.29Å; V253-S260 WeakPolarHBondContact O-CB 3.37Å; N256-S260 PolarHBondContact O-N 2.81Å; N256-S260 PolarHBondContact O-OG 3.12Å; Q257-S260 WeakPolarHBondContact CA-OG 3.43Å; Q257-S260 CarbonylContact O-C 3.44Å; Q257-S260 PolarHBondContact O-N 2.96Å; Q257-S260 VanDerWaalsContact O-N 3.13Å; Q257-S260 PolarHBondContact O-OG 3.46Å; S260-L264 VanDerWaalsContact O-CB 3.26Å; S260-L264 WeakPolarHBondContact O-CB 3.33Å; S260-L264 PolarHBondContact O-N 3.43Å; S260-T328 VanDerWaalsContact O-CG2 3.25Å; S260-T328 WeakPolarHBondContact O-CG2 3.24Å; S260-K332 WeakPolarHBondContact OG-CA 3.43Å; S260-K332 WeakPolarHBondContact OG-CB 3.3Å |
| 261 | E | 83.1 | Confident | 79 | Confident | 57 Ų | 57 | 40.9 Ų | 40.9 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -78.8 | -41.9 | 174.9 | -73.5 | -175.2 | 132 | 0 | 0 | 112 | Q257 L258 E259 L263 L264 K265 K332 | Q257-E261 HydrophobicContact CG-CG 4.23Å; Q257-E261 WeakPolarHBondContact CG-OE2 3.31Å; Q257-E261 PolarHBondContact NE2-OE2 2.96Å; Q257-E261 WeakPolarHBondContact O-CB 3.28Å; Q257-E261 WeakPolarHBondContact O-CG 3.32Å; Q257-E261 PolarHBondContact O-N 3.4Å; L258-E261 PolarHBondContact O-N 2.92Å; E259-E261 VanDerWaalsContact C-N 3.27Å; E259-E261 PolarHBondContact O-N 2.99Å; E261-L263 VanDerWaalsContact C-N 3.35Å; E261-L264 PolarHBondContact O-N 3.49Å; E261-K265 WeakPolarHBondContact O-CB 3.2Å; E261-K265 PolarHBondContact O-N 3.43Å; E261-K332 HydrophobicContact CG-CD 3.77Å; E261-K332 HydrophobicContact CG-CG 4.31Å; E261-K332 WeakPolarHBondContact OE1-CE 3.49Å; E261-K332 IonicContact OE1-NZ 2.73Å; E261-K332 PolarHBondContact OE1-NZ 3.07Å |
| 262 | D | 81.2 | Confident | 80.2 | Confident | 53 Ų | 53 | 42.1 Ų | 42.1 | 28% | 0.283 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 170.9 | -84.8 | -16.6 | 0 | 0 | 0 | 111.7 | L258 E259 K265 K266 K1309 | L258-D262 WeakPolarHBondContact O-CB 3.4Å; L258-D262 PolarHBondContact O-N 2.83Å; E259-D262 PolarHBondContact O-N 3.19Å; D262-K265 PolarHBondContact O-N 3.45Å; D262-K266 WeakPolarHBondContact O-CG 3.47Å; D262-K266 PolarHBondContact O-N 3.47Å; D262-K1309 IonicContact OD2-NZ 2.71Å; D262-K1309 PolarHBondContact OD2-NZ 3.27Å |
| 263 | L | 82.6 | Confident | 81.1 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.3 | -40 | 177 | -77.4 | 164 | 0 | 0 | 0 | 112.2 | M247 C252 E259 E261 K265 K266 H267 T328 | M247-L263 HydrophobicContact CE-CD2 3.89Å; C252-L263 HydrophobicContact CB-CD1 4.06Å; C252-L263 HydrophobicContact CB-CD2 3.9Å; E259-L263 VanDerWaalsContact O-CB 3.31Å; E259-L263 WeakPolarHBondContact O-CB 3.41Å; E259-L263 WeakPolarHBondContact O-CD1 3.36Å; E259-L263 WeakPolarHBondContact O-CG 3.32Å; E259-L263 PolarHBondContact O-N 3.21Å; E261-L263 VanDerWaalsContact C-N 3.35Å; L263-K265 PolarHBondContact O-N 3.05Å; L263-K266 PolarHBondContact O-N 3.37Å; L263-H267 WeakPolarHBondContact O-CB 3.38Å; L263-H267 PolarHBondContact O-N 3.11Å; L263-T328 HydrophobicContact CB-CG2 3.78Å |
| 264 | L | 86.1 | Confident | 81.5 | Confident | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -31.4 | 171.9 | -98.2 | 164 | 0 | 0 | 0 | 112.4 | S260 E261 N268 Q325 T328 E329 K332 | S260-L264 VanDerWaalsContact O-CB 3.26Å; S260-L264 WeakPolarHBondContact O-CB 3.33Å; S260-L264 PolarHBondContact O-N 3.43Å; E261-L264 PolarHBondContact O-N 3.49Å; L264-N268 WeakPolarHBondContact O-CB 3.38Å; L264-N268 PolarHBondContact O-N 3.3Å; L264-N268 PolarHBondContact O-ND2 3.13Å; L264-Q325 HydrophobicContact CD2-CG 4.09Å; L264-T328 HydrophobicContact CB-CG2 4.42Å; L264-T328 HydrophobicContact CD1-CG2 4.34Å; L264-T328 HydrophobicContact CG-CG2 3.77Å; L264-E329 HydrophobicContact CD1-CG 4.02Å; L264-E329 HydrophobicContact CD2-CG 3.69Å; L264-E329 HydrophobicContact CG-CG 4.42Å; L264-K332 HydrophobicContact CD1-CB 4.11Å; L264-K332 HydrophobicContact CD1-CD 3.65Å |
| 265 | K | 82.3 | Confident | 82.2 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 26% | 0.261 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.2 | -56.7 | 171.3 | -165.9 | 156 | -171.9 | -161.3 | 0 | 110.6 | E261 D262 L263 H267 N268 D269 I1311 L1315 | E261-K265 WeakPolarHBondContact O-CB 3.2Å; E261-K265 PolarHBondContact O-N 3.43Å; D262-K265 PolarHBondContact O-N 3.45Å; L263-K265 PolarHBondContact O-N 3.05Å; K265-H267 VanDerWaalsContact C-N 3.33Å; K265-H267 PolarHBondContact O-N 2.72Å; K265-N268 CarbonylContact O-C 3.53Å; K265-N268 WeakPolarHBondContact O-CA 3.46Å; K265-N268 WeakPolarHBondContact O-CB 3.49Å; K265-N268 PolarHBondContact O-N 3.31Å; K265-D269 VanDerWaalsContact CG-OD1 3.31Å; K265-D269 WeakPolarHBondContact CG-OD1 3.31Å; K265-D269 PolarHBondContact O-N 3.12Å; K265-I1311 HydrophobicContact CD-CB 4.44Å; K265-I1311 HydrophobicContact CD-CD1 4.21Å; K265-I1311 HydrophobicContact CD-CG1 4.36Å; K265-I1311 HydrophobicContact CD-CG2 3.81Å; K265-I1311 VanDerWaalsContact CE-CG2 3.42Å; K265-I1311 HydrophobicContact CG-CG2 4.38Å; K265-L1315 WeakPolarHBondContact CE-O 3.43Å |
| 266 | K | 80.1 | Confident | 82.3 | Confident | 122 Ų | 122 | 47.3 Ų | 47.3 | 53% | 0.53 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -51.2 | -43.1 | 176.8 | -75 | -177.5 | 174.1 | -169.4 | 0 | 115 | D262 L263 N268 D269 I270 | D262-K266 WeakPolarHBondContact O-CG 3.47Å; D262-K266 PolarHBondContact O-N 3.47Å; L263-K266 PolarHBondContact O-N 3.37Å; K266-N268 VanDerWaalsContact C-N 3.26Å; K266-N268 PolarHBondContact O-N 3.31Å; K266-D269 PolarHBondContact N-OD1 3.47Å; K266-D269 WeakPolarHBondContact O-CB 3.44Å; K266-D269 PolarHBondContact O-N 3.44Å; K266-I270 WeakPolarHBondContact O-CD1 3.47Å; K266-I270 VanDerWaalsContact O-CG1 3.25Å; K266-I270 WeakPolarHBondContact O-CG1 3.01Å; K266-I270 PolarHBondContact O-N 2.91Å; K266-I270 VanDerWaalsContact O-N 3.11Å |
| 267 | H | 84.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -51.2 | -51.7 | 171.6 | 157.9 | 75.5 | 0 | 0 | 0 | 110.5 | L263 K265 I270 E271 L321 L324 | L263-H267 WeakPolarHBondContact O-CB 3.38Å; L263-H267 PolarHBondContact O-N 3.11Å; K265-H267 VanDerWaalsContact C-N 3.33Å; K265-H267 PolarHBondContact O-N 2.72Å; H267-I270 PolarHBondContact O-N 3.03Å; H267-E271 IonicContact CE1-OE2 3.67Å; H267-E271 IonicContact NE2-OE2 3.54Å; H267-E271 PolarHBondContact NE2-OE2 3.02Å; H267-E271 PolarHBondContact O-N 3.4Å; H267-E271 VanDerWaalsContact O-N 3.14Å; H267-L321 VanDerWaalsContact CE1-C 3.48Å; H267-L321 VanDerWaalsContact CE1-CD2 3.49Å; H267-L321 WeakPolarHBondContact CE1-CD2 3.34Å; H267-L321 PolarHBondContact CE1-O 3.26Å; H267-L321 PolarHBondContact ND1-O 3.4Å; H267-L324 HydrophobicContact CB-CD2 4.29Å |
| 268 | N | 83.9 | Confident | 82.9 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -51.8 | 178.7 | -99.3 | -83.7 | 0 | 0 | 0 | 109.1 | L264 K265 K266 I270 E271 L1315 S1317 | L264-N268 WeakPolarHBondContact O-CB 3.38Å; L264-N268 PolarHBondContact O-N 3.3Å; L264-N268 PolarHBondContact O-ND2 3.13Å; K265-N268 CarbonylContact O-C 3.53Å; K265-N268 WeakPolarHBondContact O-CA 3.46Å; K265-N268 WeakPolarHBondContact O-CB 3.49Å; K265-N268 PolarHBondContact O-N 3.31Å; K266-N268 VanDerWaalsContact C-N 3.26Å; K266-N268 PolarHBondContact O-N 3.31Å; N268-I270 VanDerWaalsContact C-N 3.25Å; N268-I270 PolarHBondContact O-N 3.17Å; N268-I270 VanDerWaalsContact O-N 3.15Å; N268-E271 WeakPolarHBondContact O-CB 3.12Å; N268-E271 PolarHBondContact O-N 2.89Å; N268-L1315 HydrophobicContact CB-CB 3.54Å; N268-L1315 HydrophobicContact CB-CD2 4.2Å; N268-L1315 HydrophobicContact CB-CG 4.44Å; N268-L1315 WeakPolarHBondContact O-CD1 3.25Å; N268-L1315 VanDerWaalsContact O-CD2 3.25Å; N268-L1315 WeakPolarHBondContact O-CD2 3.24Å; N268-L1315 WeakPolarHBondContact O-CG 3.33Å; N268-L1315 WeakPolarHBondContact OD1-CD2 3.31Å; N268-S1317 PolarHBondContact OD1-N 3.27Å; N268-S1317 VanDerWaalsContact OD1-N 3.17Å |
| 269 | D | 78.7 | Confident | 83.2 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -45.6 | -48 | 176.7 | -69.2 | 57.9 | 0 | 0 | 0 | 113.1 | K265 K266 Q273 S1313 R1314 | K265-D269 VanDerWaalsContact CG-OD1 3.31Å; K265-D269 WeakPolarHBondContact CG-OD1 3.31Å; K265-D269 PolarHBondContact O-N 3.12Å; K266-D269 PolarHBondContact N-OD1 3.47Å; K266-D269 WeakPolarHBondContact O-CB 3.44Å; K266-D269 PolarHBondContact O-N 3.44Å; D269-Q273 PolarHBondContact O-N 3.39Å; D269-S1313 WeakPolarHBondContact OD2-CB 3.45Å; D269-S1313 PolarHBondContact OD2-OG 3.21Å; D269-R1314 WeakPolarHBondContact CA-O 3.48Å; D269-R1314 HydrophobicContact CB-CB 4.26Å; D269-R1314 PolarHBondContact N-O 3.25Å; D269-R1314 VanDerWaalsContact O-CB 3.24Å; D269-R1314 WeakPolarHBondContact O-CB 3.49Å; D269-R1314 VanDerWaalsContact O-CD 3.26Å; D269-R1314 WeakPolarHBondContact O-CD 3.4Å |
| 270 | I | 81.1 | Confident | 83.3 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.9 | -32.7 | -177.3 | -57.2 | 161 | 0 | 0 | 0 | 111 | L240 I244 M247 K266 H267 N268 N272 Q273 A274 | L240-I270 HydrophobicContact CD2-CG2 3.82Å; I244-I270 HydrophobicContact CD1-CB 4.37Å; I244-I270 HydrophobicContact CD1-CG2 3.4Å; I244-I270 VanDerWaalsContact CD1-CG2 3.4Å; I244-I270 HydrophobicContact CG1-CD1 4.41Å; I244-I270 HydrophobicContact CG1-CG2 3.98Å; M247-I270 HydrophobicContact SD-CD1 3.85Å; K266-I270 WeakPolarHBondContact O-CD1 3.47Å; K266-I270 VanDerWaalsContact O-CG1 3.25Å; K266-I270 WeakPolarHBondContact O-CG1 3.01Å; K266-I270 PolarHBondContact O-N 2.91Å; K266-I270 VanDerWaalsContact O-N 3.11Å; H267-I270 PolarHBondContact O-N 3.03Å; N268-I270 VanDerWaalsContact C-N 3.25Å; N268-I270 PolarHBondContact O-N 3.17Å; N268-I270 VanDerWaalsContact O-N 3.15Å; I270-N272 PolarHBondContact O-N 2.77Å; I270-Q273 WeakPolarHBondContact O-CB 3.37Å; I270-Q273 PolarHBondContact O-N 2.86Å; I270-Q273 VanDerWaalsContact O-N 3.11Å; I270-A274 WeakPolarHBondContact O-CB 3.49Å; I270-A274 PolarHBondContact O-N 3.11Å |
| 271 | E | 85.4 | Confident | 83.5 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | -177.4 | -175.1 | 175.1 | 166.4 | 0 | 0 | 113.9 | H267 N268 K275 L321 L1315 | H267-E271 IonicContact CE1-OE2 3.67Å; H267-E271 IonicContact NE2-OE2 3.54Å; H267-E271 PolarHBondContact NE2-OE2 3.02Å; H267-E271 PolarHBondContact O-N 3.4Å; H267-E271 VanDerWaalsContact O-N 3.14Å; N268-E271 WeakPolarHBondContact O-CB 3.12Å; N268-E271 PolarHBondContact O-N 2.89Å; E271-K275 HydrophobicContact CG-CD 4.32Å; E271-K275 VanDerWaalsContact O-CG 3.27Å; E271-K275 WeakPolarHBondContact O-CG 3.19Å; E271-K275 PolarHBondContact O-N 3.41Å; E271-K275 VanDerWaalsContact OE1-CE 3.27Å; E271-K275 WeakPolarHBondContact OE1-CE 3.44Å; E271-K275 IonicContact OE1-NZ 2.77Å; E271-K275 PolarHBondContact OE1-NZ 2.79Å; E271-L321 HydrophobicContact CB-CD1 4.17Å; E271-L321 HydrophobicContact CB-CD2 4.12Å; E271-L321 HydrophobicContact CG-CD1 4.16Å; E271-L1315 HydrophobicContact CB-CD2 4.2Å |
| 272 | N | 82 | Confident | 83.5 | Confident | 53 Ų | 53 | 42.7 Ų | 42.7 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -78.9 | -25.8 | 169.8 | -71.9 | -6.9 | 0 | 0 | 0 | 111.9 | I270 A274 K275 T276 L1315 | I270-N272 PolarHBondContact O-N 2.77Å; N272-A274 PolarHBondContact O-N 3.11Å; N272-K275 PolarHBondContact O-N 3.18Å; N272-T276 WeakPolarHBondContact O-CB 3.04Å; N272-T276 WeakPolarHBondContact O-CG2 3.22Å; N272-T276 PolarHBondContact O-N 2.65Å; N272-T276 PolarHBondContact O-OG1 3.06Å; N272-L1315 HydrophobicContact CB-CD1 3.16Å; N272-L1315 HydrophobicContact CB-CD2 4.47Å; N272-L1315 HydrophobicContact CB-CG 4.13Å; N272-L1315 VanDerWaalsContact ND2-CD1 3.29Å; N272-L1315 WeakPolarHBondContact ND2-CD1 3.38Å; N272-L1315 WeakPolarHBondContact ND2-CG 3.26Å; N272-L1315 WeakPolarHBondContact OD1-CD2 3.36Å |
| 273 | Q | 84 | Confident | 83.7 | Confident | 66 Ų | 66 | 46 Ų | 46 | 31% | 0.308 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 172.6 | -174.1 | 159.6 | -27 | 0 | 0 | 109.2 | L240 D269 I270 T276 T277 | L240-Q273 HydrophobicContact CD1-CG 3.93Å; L240-Q273 HydrophobicContact CD2-CB 4.35Å; L240-Q273 HydrophobicContact CD2-CG 3.9Å; D269-Q273 PolarHBondContact O-N 3.39Å; I270-Q273 WeakPolarHBondContact O-CB 3.37Å; I270-Q273 PolarHBondContact O-N 2.86Å; I270-Q273 VanDerWaalsContact O-N 3.11Å; Q273-T276 PolarHBondContact O-OG1 3.45Å; Q273-T277 WeakPolarHBondContact O-CB 3.45Å; Q273-T277 PolarHBondContact O-N 2.68Å; Q273-T277 PolarHBondContact O-OG1 2.58Å |
| 274 | A | 85.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.4 | -55.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | I270 N272 T276 T277 Y278 W314 L317 | I270-A274 WeakPolarHBondContact O-CB 3.49Å; I270-A274 PolarHBondContact O-N 3.11Å; N272-A274 PolarHBondContact O-N 3.11Å; A274-T276 PolarHBondContact O-N 3.15Å; A274-T277 PolarHBondContact O-N 3.27Å; A274-Y278 VanDerWaalsContact O-CB 3.25Å; A274-Y278 WeakPolarHBondContact O-CB 3.45Å; A274-Y278 PolarHBondContact O-N 3.48Å; A274-W314 VanDerWaalsContact C-CZ3 3.5Å; A274-W314 HydrophobicContact CB-CH2 4.03Å; A274-W314 HydrophobicContact CB-CZ3 3.75Å; A274-W314 WeakPolarHBondContact O-CZ3 3.5Å; A274-L317 HydrophobicContact CB-CD2 3.7Å; A274-L317 HydrophobicContact CB-CG 4.36Å |
| 275 | K | 86.4 | Confident | 83.5 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -43.7 | -176.9 | -69.1 | 165.2 | -175 | 169.4 | 0 | 113.5 | E271 N272 Y278 T279 W314 | E271-K275 HydrophobicContact CG-CD 4.32Å; E271-K275 VanDerWaalsContact O-CG 3.27Å; E271-K275 WeakPolarHBondContact O-CG 3.19Å; E271-K275 PolarHBondContact O-N 3.41Å; E271-K275 VanDerWaalsContact OE1-CE 3.27Å; E271-K275 WeakPolarHBondContact OE1-CE 3.44Å; E271-K275 IonicContact OE1-NZ 2.77Å; E271-K275 PolarHBondContact OE1-NZ 2.79Å; N272-K275 PolarHBondContact O-N 3.18Å; K275-Y278 PolarHBondContact O-N 3.45Å; K275-T279 PolarHBondContact O-N 2.8Å; K275-T279 PolarHBondContact O-OG1 2.86Å; K275-W314 HydrophobicContact CB-CH2 4.28Å; K275-W314 HydrophobicContact CG-CH2 3.78Å; K275-W314 HydrophobicContact CG-CZ2 4.1Å |
| 276 | T | 79.1 | Confident | 83.5 | Confident | 65 Ų | 65 | 47 Ų | 47 | 40% | 0.399 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.3 | -39.9 | -179.8 | 57.2 | 0 | 0 | 0 | 0 | 111.8 | N272 Q273 A274 Y278 T279 Y280 | N272-T276 WeakPolarHBondContact O-CB 3.04Å; N272-T276 WeakPolarHBondContact O-CG2 3.22Å; N272-T276 PolarHBondContact O-N 2.65Å; N272-T276 PolarHBondContact O-OG1 3.06Å; Q273-T276 PolarHBondContact O-OG1 3.45Å; A274-T276 PolarHBondContact O-N 3.15Å; T276-Y278 VanDerWaalsContact C-N 3.33Å; T276-T279 PolarHBondContact O-OG1 2.91Å; T276-Y280 VanDerWaalsContact O-CB 3.31Å; T276-Y280 WeakPolarHBondContact O-CB 3.41Å; T276-Y280 PolarHBondContact O-N 3.49Å |
| 277 | T | 84.8 | Confident | 83.3 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | 176 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | S233 W236 I237 Q273 A274 Y280 C281 | S233-T277 WeakPolarHBondContact O-CG2 3.07Å; W236-T277 HydrophobicContact CB-CG2 4.31Å; W236-T277 HydrophobicContact CE3-CG2 4.14Å; I237-T277 HydrophobicContact CD1-CG2 3.97Å; I237-T277 HydrophobicContact CG1-CG2 3.82Å; Q273-T277 WeakPolarHBondContact O-CB 3.45Å; Q273-T277 PolarHBondContact O-N 2.68Å; Q273-T277 PolarHBondContact O-OG1 2.58Å; A274-T277 PolarHBondContact O-N 3.27Å; T277-Y280 PolarHBondContact O-N 3.37Å; T277-C281 WeakPolarHBondContact O-CB 3.45Å; T277-C281 PolarHBondContact O-N 2.84Å; T277-C281 PolarHBondContact O-SG 2.99Å |
| 278 | Y | 89.2 | Confident | 83.1 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -41.8 | 175.6 | 178.9 | -95.5 | 0 | 0 | 0 | 113 | A274 K275 T276 C281 I282 L310 F311 W314 | A274-Y278 VanDerWaalsContact O-CB 3.25Å; A274-Y278 WeakPolarHBondContact O-CB 3.45Å; A274-Y278 PolarHBondContact O-N 3.48Å; K275-Y278 PolarHBondContact O-N 3.45Å; T276-Y278 VanDerWaalsContact C-N 3.33Å; Y278-C281 WeakPolarHBondContact O-CB 3.19Å; Y278-C281 PolarHBondContact O-N 3.13Å; Y278-I282 HydrophobicContact CD1-CD1 4.06Å; Y278-I282 HydrophobicContact CE1-CD1 3.45Å; Y278-I282 VanDerWaalsContact CE1-CD1 3.45Å; Y278-I282 HydrophobicContact CE1-CG1 4.48Å; Y278-I282 HydrophobicContact CE2-CD1 4.38Å; Y278-I282 PolarHBondContact O-N 3.42Å; Y278-L310 HydrophobicContact CD2-CD1 3.69Å; Y278-L310 HydrophobicContact CD2-CD2 4.25Å; Y278-L310 HydrophobicContact CD2-CG 3.86Å; Y278-L310 HydrophobicContact CE2-CD1 4.15Å; Y278-L310 HydrophobicContact CE2-CD2 4.15Å; Y278-L310 HydrophobicContact CE2-CG 3.8Å; Y278-F311 WeakPolarHBondContact OH-CE1 3.49Å; Y278-W314 VanDerWaalsContact CB-CZ3 3.46Å; Y278-W314 HydrophobicContact CD1-CD2 4.15Å; Y278-W314 HydrophobicContact CD1-CE3 4.41Å; Y278-W314 HydrophobicContact CD1-CZ2 4.25Å; Y278-W314 HydrophobicContact CD2-CB 3.96Å; Y278-W314 AromaticContact CD2-CD2 3.37Å; Y278-W314 HydrophobicContact CD2-CD2 3.37Å; Y278-W314 AromaticContact CD2-CE3 3.38Å; Y278-W314 HydrophobicContact CD2-CE3 3.38Å; Y278-W314 AromaticContact CD2-CG 3.61Å; Y278-W314 HydrophobicContact CD2-CG 3.61Å; Y278-W314 HydrophobicContact CD2-CZ3 4.13Å; Y278-W314 HydrophobicContact CE1-CD2 4.33Å; Y278-W314 HydrophobicContact CE1-CG 4.45Å; Y278-W314 HydrophobicContact CE2-CB 3.57Å; Y278-W314 AromaticContact CE2-CD1 3.77Å; Y278-W314 AromaticContact CE2-CD2 3.6Å; Y278-W314 HydrophobicContact CE2-CD2 3.6Å; Y278-W314 HydrophobicContact CE2-CE3 4.09Å; Y278-W314 AromaticContact CE2-CG 3.31Å; Y278-W314 HydrophobicContact CE2-CG 3.31Å; Y278-W314 AromaticContact CG-CD2 3.67Å; Y278-W314 HydrophobicContact CG-CD2 3.67Å; Y278-W314 AromaticContact CG-CE2 3.99Å; Y278-W314 AromaticContact CG-CE3 3.57Å; Y278-W314 HydrophobicContact CG-CE3 3.57Å; Y278-W314 HydrophobicContact CG-CG 4.3Å; Y278-W314 HydrophobicContact CG-CH2 4.22Å; Y278-W314 HydrophobicContact CG-CZ2 4.27Å; Y278-W314 AromaticContact CG-CZ3 3.85Å; Y278-W314 HydrophobicContact CG-CZ3 3.85Å; Y278-W314 AromaticContact CZ-CD1 3.73Å; Y278-W314 AromaticContact CZ-CG 3.77Å; Y278-W314 AromaticContact CZ-NE1 3.99Å |
| 279 | T | 84.3 | Confident | 82.7 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 173.3 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | K275 T276 I282 Q283 | K275-T279 PolarHBondContact O-N 2.8Å; K275-T279 PolarHBondContact O-OG1 2.86Å; T276-T279 PolarHBondContact O-OG1 2.91Å; T279-I282 PolarHBondContact O-N 3.41Å; T279-Q283 WeakPolarHBondContact O-CG 3.45Å; T279-Q283 PolarHBondContact O-N 3.41Å |
| 280 | Y | 83.4 | Confident | 82.5 | Confident | 93 Ų | 93 | 49.2 Ų | 49.2 | 37% | 0.365 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 172.8 | -177.3 | -118.7 | 0 | 0 | 0 | 112.1 | S233 T276 T277 I282 Q283 L284 | S233-Y280 WeakPolarHBondContact OG-CD1 3.41Å; S233-Y280 WeakPolarHBondContact OG-CE1 3.5Å; T276-Y280 VanDerWaalsContact O-CB 3.31Å; T276-Y280 WeakPolarHBondContact O-CB 3.41Å; T276-Y280 PolarHBondContact O-N 3.49Å; T277-Y280 PolarHBondContact O-N 3.37Å; Y280-I282 VanDerWaalsContact C-N 3.33Å; Y280-I282 PolarHBondContact O-N 2.97Å; Y280-Q283 PolarHBondContact O-N 3.07Å; Y280-L284 HydrophobicContact CD1-CD1 3.85Å; Y280-L284 HydrophobicContact CD2-CG 4.41Å; Y280-L284 HydrophobicContact CE1-CD1 3.47Å; Y280-L284 VanDerWaalsContact CE1-CD1 3.47Å; Y280-L284 HydrophobicContact CE1-CG 4.23Å; Y280-L284 HydrophobicContact CE2-CD1 4.25Å; Y280-L284 HydrophobicContact CE2-CD2 4.3Å; Y280-L284 HydrophobicContact CE2-CG 4.1Å; Y280-L284 HydrophobicContact CG-CD1 4.39Å; Y280-L284 WeakPolarHBondContact O-CB 3.29Å; Y280-L284 WeakPolarHBondContact O-CG 3.17Å; Y280-L284 PolarHBondContact O-N 3.02Å |
| 281 | C | 85.4 | Confident | 82 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.8 | -46.1 | 172.5 | -72 | 0 | 0 | 0 | 0 | 112.1 | S233 T277 Y278 L284 L285 L310 | S233-C281 WeakPolarHBondContact CB-SG 3.39Å; T277-C281 WeakPolarHBondContact O-CB 3.45Å; T277-C281 PolarHBondContact O-N 2.84Å; T277-C281 PolarHBondContact O-SG 2.99Å; Y278-C281 WeakPolarHBondContact O-CB 3.19Å; Y278-C281 PolarHBondContact O-N 3.13Å; C281-L284 PolarHBondContact O-N 2.83Å; C281-L285 WeakPolarHBondContact O-CB 3.2Å; C281-L285 WeakPolarHBondContact O-CD1 3.31Å; C281-L285 WeakPolarHBondContact O-CG 3.31Å; C281-L285 PolarHBondContact O-N 3.24Å; C281-L310 HydrophobicContact CB-CD1 3.88Å; C281-L310 HydrophobicContact CB-CD2 3.67Å; C281-L310 HydrophobicContact CB-CG 4.45Å |
| 282 | I | 84.1 | Confident | 81.4 | Confident | 54 Ų | 54 | 48.3 Ų | 48.3 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 179 | -72.1 | 179.5 | 0 | 0 | 0 | 111 | Y278 T279 Y280 L284 L285 E286 L310 | Y278-I282 HydrophobicContact CD1-CD1 4.06Å; Y278-I282 HydrophobicContact CE1-CD1 3.45Å; Y278-I282 VanDerWaalsContact CE1-CD1 3.45Å; Y278-I282 HydrophobicContact CE1-CG1 4.48Å; Y278-I282 HydrophobicContact CE2-CD1 4.38Å; Y278-I282 PolarHBondContact O-N 3.42Å; T279-I282 PolarHBondContact O-N 3.41Å; Y280-I282 VanDerWaalsContact C-N 3.33Å; Y280-I282 PolarHBondContact O-N 2.97Å; I282-L284 PolarHBondContact O-N 2.84Å; I282-L285 PolarHBondContact O-N 3.26Å; I282-E286 PolarHBondContact O-N 3.06Å; I282-L310 HydrophobicContact CG1-CD2 4.12Å |
| 283 | Q | 84.6 | Confident | 80.8 | Confident | 123 Ų | 123 | 52.6 Ų | 52.6 | 58% | 0.575 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 176.6 | -73.3 | 175 | -2.1 | 0 | 0 | 111.9 | T279 Y280 E286 T287 | T279-Q283 WeakPolarHBondContact O-CG 3.45Å; T279-Q283 PolarHBondContact O-N 3.41Å; Y280-Q283 PolarHBondContact O-N 3.07Å; Q283-E286 PolarHBondContact O-N 3.27Å; Q283-T287 WeakPolarHBondContact O-CG2 3.17Å; Q283-T287 PolarHBondContact O-N 2.76Å; Q283-T287 PolarHBondContact O-OG1 2.81Å |
| 284 | L | 82.1 | Confident | 79.9 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 173.7 | -74.3 | 173.7 | 0 | 0 | 0 | 112.7 | N229 V230 Y280 C281 I282 E286 T287 Y288 | N229-L284 HydrophobicContact CB-CD1 3.78Å; N229-L284 HydrophobicContact CB-CD2 4.14Å; V230-L284 HydrophobicContact CG2-CB 3.61Å; V230-L284 HydrophobicContact CG2-CD1 4.28Å; Y280-L284 HydrophobicContact CD1-CD1 3.85Å; Y280-L284 HydrophobicContact CD2-CG 4.41Å; Y280-L284 HydrophobicContact CE1-CD1 3.47Å; Y280-L284 VanDerWaalsContact CE1-CD1 3.47Å; Y280-L284 HydrophobicContact CE1-CG 4.23Å; Y280-L284 HydrophobicContact CE2-CD1 4.25Å; Y280-L284 HydrophobicContact CE2-CD2 4.3Å; Y280-L284 HydrophobicContact CE2-CG 4.1Å; Y280-L284 HydrophobicContact CG-CD1 4.39Å; Y280-L284 WeakPolarHBondContact O-CB 3.29Å; Y280-L284 WeakPolarHBondContact O-CG 3.17Å; Y280-L284 PolarHBondContact O-N 3.02Å; C281-L284 PolarHBondContact O-N 2.83Å; I282-L284 PolarHBondContact O-N 2.84Å; L284-E286 PolarHBondContact O-N 2.92Å; L284-T287 WeakPolarHBondContact CA-OG1 3.47Å; L284-T287 PolarHBondContact O-N 3.18Å; L284-T287 PolarHBondContact O-OG1 3Å; L284-T287 VanDerWaalsContact O-OG1 3.11Å; L284-Y288 WeakPolarHBondContact O-CB 3.31Å; L284-Y288 PolarHBondContact O-N 2.94Å |
| 285 | L | 83 | Confident | 78.8 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -30.9 | 176.2 | -72.7 | 168.1 | 0 | 0 | 0 | 111.9 | V230 C281 I282 G289 I303 K307 L310 | V230-L285 HydrophobicContact CG1-CD2 3.79Å; V230-L285 HydrophobicContact CG1-CG 4.43Å; V230-L285 HydrophobicContact CG2-CD2 4.2Å; V230-L285 HydrophobicContact CG2-CG 4.35Å; C281-L285 WeakPolarHBondContact O-CB 3.2Å; C281-L285 WeakPolarHBondContact O-CD1 3.31Å; C281-L285 WeakPolarHBondContact O-CG 3.31Å; C281-L285 PolarHBondContact O-N 3.24Å; I282-L285 PolarHBondContact O-N 3.26Å; L285-G289 PolarHBondContact O-N 2.77Å; L285-I303 HydrophobicContact CD2-CG2 3.76Å; L285-K307 HydrophobicContact CD1-CB 4.13Å; L285-K307 HydrophobicContact CD1-CG 4.22Å; L285-K307 HydrophobicContact CD2-CB 4.42Å; L285-L310 HydrophobicContact CD1-CD2 3.83Å |
| 286 | E | 81.9 | Confident | 77.4 | Confident | 98 Ų | 98 | 56.3 Ų | 56.3 | 46% | 0.458 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -77.3 | -43.1 | 173.3 | -78.7 | -167.2 | -157.1 | 0 | 0 | 113.9 | I282 Q283 L284 G289 K290 | I282-E286 PolarHBondContact O-N 3.06Å; Q283-E286 PolarHBondContact O-N 3.27Å; L284-E286 PolarHBondContact O-N 2.92Å; E286-G289 PolarHBondContact O-N 2.85Å; E286-K290 WeakPolarHBondContact O-CD 3.37Å; E286-K290 VanDerWaalsContact O-CG 3.29Å; E286-K290 WeakPolarHBondContact O-CG 3.33Å; E286-K290 PolarHBondContact O-N 3.28Å; E286-K290 IonicContact OE2-NZ 3.1Å; E286-K290 PolarHBondContact OE2-NZ 2.8Å |
| 287 | T | 76.2 | Confident | 76.3 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 39% | 0.387 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 177 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | Q283 L284 G289 K290 L291 | Q283-T287 WeakPolarHBondContact O-CG2 3.17Å; Q283-T287 PolarHBondContact O-N 2.76Å; Q283-T287 PolarHBondContact O-OG1 2.81Å; L284-T287 WeakPolarHBondContact CA-OG1 3.47Å; L284-T287 PolarHBondContact O-N 3.18Å; L284-T287 PolarHBondContact O-OG1 3Å; L284-T287 VanDerWaalsContact O-OG1 3.11Å; T287-G289 VanDerWaalsContact C-N 3.31Å; T287-G289 PolarHBondContact O-N 2.82Å; T287-K290 PolarHBondContact O-N 2.79Å; T287-L291 WeakPolarHBondContact O-CB 3.46Å; T287-L291 VanDerWaalsContact O-CG 3.29Å; T287-L291 WeakPolarHBondContact O-CG 3.19Å; T287-L291 PolarHBondContact O-N 3.22Å |
| 288 | Y | 79.8 | Confident | 74.9 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 171.4 | -174 | -82.8 | 0 | 0 | 0 | 112 | L223 C226 E227 L284 L291 C292 P300 I303 | L223-Y288 HydrophobicContact CD2-CE2 3.67Å; L223-Y288 HydrophobicContact CG-CE2 4.06Å; L223-Y288 VanDerWaalsContact O-CE2 3.29Å; L223-Y288 WeakPolarHBondContact O-CE2 3.21Å; C226-Y288 HydrophobicContact CB-CD2 3.85Å; E227-Y288 HydrophobicContact CB-CD2 4.29Å; E227-Y288 HydrophobicContact CB-CE2 3.69Å; E227-Y288 PolarHBondContact OE2-OH 2.88Å; L284-Y288 WeakPolarHBondContact O-CB 3.31Å; L284-Y288 PolarHBondContact O-N 2.94Å; Y288-L291 PolarHBondContact O-N 2.96Å; Y288-C292 WeakPolarHBondContact CE1-SG 3.43Å; Y288-C292 PolarHBondContact O-N 3.36Å; Y288-C292 PolarHBondContact O-SG 2.8Å; Y288-C292 VanDerWaalsContact O-SG 3.4Å; Y288-P300 WeakPolarHBondContact OH-CD 3.31Å; Y288-P300 VanDerWaalsContact OH-CG 3.26Å; Y288-P300 WeakPolarHBondContact OH-CG 3.44Å; Y288-I303 HydrophobicContact CD1-CB 4.42Å; Y288-I303 HydrophobicContact CD1-CD1 4.39Å; Y288-I303 HydrophobicContact CD1-CG1 3.79Å; Y288-I303 HydrophobicContact CD1-CG2 4.12Å; Y288-I303 HydrophobicContact CE1-CB 4.2Å; Y288-I303 HydrophobicContact CE1-CD1 3.65Å; Y288-I303 HydrophobicContact CE1-CG1 3.52Å; Y288-I303 HydrophobicContact CE1-CG2 4.36Å; Y288-I303 HydrophobicContact CE2-CD1 4.12Å; Y288-I303 HydrophobicContact CE2-CG1 4.34Å; Y288-I303 HydrophobicContact CG-CG1 4.3Å; Y288-I303 VanDerWaalsContact CZ-CD1 3.46Å; Y288-I303 WeakPolarHBondContact OH-CD1 3.05Å |
| 289 | G | 75.3 | Confident | 73.3 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L285 E286 T287 L291 C292 E293 | L285-G289 PolarHBondContact O-N 2.77Å; E286-G289 PolarHBondContact O-N 2.85Å; T287-G289 VanDerWaalsContact C-N 3.31Å; T287-G289 PolarHBondContact O-N 2.82Å; G289-L291 VanDerWaalsContact C-N 3.3Å; G289-L291 PolarHBondContact O-N 2.76Å; G289-C292 WeakPolarHBondContact O-CB 3.26Å; G289-C292 PolarHBondContact O-N 2.97Å; G289-E293 WeakPolarHBondContact O-CG 3.29Å; G289-E293 PolarHBondContact O-N 2.86Å |
| 290 | K | 75.5 | Confident | 72 | Confident | 116 Ų | 116 | 70 Ų | 70 | 50% | 0.504 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 177.3 | -68 | 159.6 | -169.1 | 160.7 | 0 | 112.1 | E286 T287 A294 | E286-K290 WeakPolarHBondContact O-CD 3.37Å; E286-K290 VanDerWaalsContact O-CG 3.29Å; E286-K290 WeakPolarHBondContact O-CG 3.33Å; E286-K290 PolarHBondContact O-N 3.28Å; E286-K290 IonicContact OE2-NZ 3.1Å; E286-K290 PolarHBondContact OE2-NZ 2.8Å; T287-K290 PolarHBondContact O-N 2.79Å; K290-A294 VanDerWaalsContact O-CB 3.24Å; K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 2.84Å |
| 291 | L | 69.9 | Low | 70.8 | Confident | 43 Ų | 43 | 76 Ų | 76 | 23% | 0.225 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 174.2 | -75.4 | 170.8 | 0 | 0 | 0 | 112.5 | L223 C226 T287 Y288 G289 D295 | L223-L291 HydrophobicContact CD1-CB 4.32Å; C226-L291 HydrophobicContact CB-CD1 4.41Å; T287-L291 WeakPolarHBondContact O-CB 3.46Å; T287-L291 VanDerWaalsContact O-CG 3.29Å; T287-L291 WeakPolarHBondContact O-CG 3.19Å; T287-L291 PolarHBondContact O-N 3.22Å; Y288-L291 PolarHBondContact O-N 2.96Å; G289-L291 VanDerWaalsContact C-N 3.3Å; G289-L291 PolarHBondContact O-N 2.76Å; L291-D295 WeakPolarHBondContact O-CB 3.45Å; L291-D295 PolarHBondContact O-N 3.48Å |
| 292 | C | 72.2 | Confident | 69.7 | Low | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 173.7 | -75.6 | 0 | 0 | 0 | 0 | 111.8 | Y288 G289 A294 D295 S296 R297 L299 | Y288-C292 WeakPolarHBondContact CE1-SG 3.43Å; Y288-C292 PolarHBondContact O-N 3.36Å; Y288-C292 PolarHBondContact O-SG 2.8Å; Y288-C292 VanDerWaalsContact O-SG 3.4Å; G289-C292 WeakPolarHBondContact O-CB 3.26Å; G289-C292 PolarHBondContact O-N 2.97Å; C292-A294 PolarHBondContact O-N 2.99Å; C292-D295 CarbonylContact O-C 3.53Å; C292-D295 PolarHBondContact O-N 2.9Å; C292-D295 VanDerWaalsContact O-N 3.09Å; C292-S296 PolarHBondContact O-N 3.14Å; C292-R297 CarbonylContact C-O 3.51Å; C292-R297 HydrophobicContact CB-CB 4.28Å; C292-R297 PolarHBondContact O-N 2.95Å; C292-L299 HydrophobicContact CB-CD1 4.09Å |
| 293 | E | 71.1 | Confident | 68.8 | Low | 143 Ų | 143 | 77.3 Ų | 77.3 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -58.6 | -47 | 175.8 | -72.1 | 173.3 | 173.4 | 0 | 0 | 111.1 | G289 D295 S296 | G289-E293 WeakPolarHBondContact O-CG 3.29Å; G289-E293 PolarHBondContact O-N 2.86Å; E293-D295 PolarHBondContact O-N 2.66Å; E293-S296 PolarHBondContact O-N 2.99Å |
| 294 | A | 64.3 | Low | 67.9 | Low | 67 Ų | 67 | 73.2 Ų | 73.2 | 55% | 0.554 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.2 | -22 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K219 K290 C292 | K219-A294 PolarHBondContact NZ-O 2.91Å; K290-A294 VanDerWaalsContact O-CB 3.24Å; K290-A294 WeakPolarHBondContact O-CB 3.4Å; K290-A294 PolarHBondContact O-N 2.84Å; C292-A294 PolarHBondContact O-N 2.99Å |
| 295 | D | 62.1 | Low | 67.5 | Low | 36 Ų | 36 | 77.4 Ų | 77.4 | 19% | 0.193 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 5.5 | 174.3 | -149 | 50.8 | 0 | 0 | 0 | 113.8 | K219 H220 L291 C292 E293 R297 | K219-D295 WeakPolarHBondContact CD-OD1 3.43Å; K219-D295 WeakPolarHBondContact CE-OD1 3.42Å; K219-D295 VanDerWaalsContact NZ-CA 3.33Å; K219-D295 IonicContact NZ-OD1 3.76Å; K219-D295 PolarHBondContact NZ-OD1 2.96Å; H220-D295 IonicContact CE1-OD2 2.74Å; H220-D295 PolarHBondContact CE1-OD2 2.82Å; H220-D295 IonicContact NE2-OD2 3.65Å; L291-D295 WeakPolarHBondContact O-CB 3.45Å; L291-D295 PolarHBondContact O-N 3.48Å; C292-D295 CarbonylContact O-C 3.53Å; C292-D295 PolarHBondContact O-N 2.9Å; C292-D295 VanDerWaalsContact O-N 3.09Å; E293-D295 PolarHBondContact O-N 2.66Å; D295-R297 HydrophobicContact CB-CB 4.48Å; D295-R297 HydrophobicContact CB-CG 4Å; D295-R297 PolarHBondContact O-N 3.05Å; D295-R297 WeakPolarHBondContact OD2-CD 3.49Å; D295-R297 IonicContact OD2-CZ 2.66Å; D295-R297 IonicContact OD2-NE 2.77Å; D295-R297 PolarHBondContact OD2-NE 3.13Å |
| 296 | S | 57.4 | Low | 67.2 | Low | 120 Ų | 120 | 77 Ų | 77 | 84% | 0.839 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 18.5 | -170.6 | -61 | 0 | 0 | 0 | 0 | 114.1 | C292 E293 | C292-S296 PolarHBondContact O-N 3.14Å; E293-S296 PolarHBondContact O-N 2.99Å |
| 297 | R | 55.8 | Low | 67 | Low | 103 Ų | 103 | 77.2 Ų | 77.2 | 39% | 0.389 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 139 | 173.9 | -72.9 | 177 | 173.8 | -111.9 | -14.3 | 108.8 | H220 C292 D295 | H220-R297 PolarHBondContact CD2-NH2 2.85Å; H220-R297 PolarHBondContact NE2-NH2 3.42Å; C292-R297 CarbonylContact C-O 3.51Å; C292-R297 HydrophobicContact CB-CB 4.28Å; C292-R297 PolarHBondContact O-N 2.95Å; D295-R297 HydrophobicContact CB-CB 4.48Å; D295-R297 HydrophobicContact CB-CG 4Å; D295-R297 PolarHBondContact O-N 3.05Å; D295-R297 WeakPolarHBondContact OD2-CD 3.49Å; D295-R297 IonicContact OD2-CZ 2.66Å; D295-R297 IonicContact OD2-NE 2.77Å; D295-R297 PolarHBondContact OD2-NE 3.13Å |
| 298 | R | 55.3 | Low | 67.2 | Low | 236 Ų | 236 | 78.7 Ų | 78.7 | 89% | 0.891 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 139.7 | 162 | -68 | -178.8 | 175.5 | 178.2 | -1.3 | 108.2 | P300 | R298-P300 WeakPolarHBondContact O-CD 3.39Å; R298-P300 VanDerWaalsContact O-N 3.17Å |
| 299 | L | 55.2 | Low | 67.4 | Low | 88 Ų | 88 | 83.1 Ų | 83.1 | 46% | 0.461 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -46.9 | 123.5 | 165.6 | -94.6 | 75.6 | 0 | 0 | 0 | 109.3 | C292 I303 | C292-L299 HydrophobicContact CB-CD1 4.09Å; L299-I303 HydrophobicContact CD2-CG2 3.91Å |
| 300 | P | 58.5 | Low | 67.9 | Low | 48 Ų | 48 | 82.7 Ų | 82.7 | 31% | 0.312 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -59 | 148.5 | 169.9 | -27 | 38.9 | 0 | 0 | 0 | 110.9 | Y288 R298 N302 I303 | Y288-P300 WeakPolarHBondContact OH-CD 3.31Å; Y288-P300 VanDerWaalsContact OH-CG 3.26Å; Y288-P300 WeakPolarHBondContact OH-CG 3.44Å; R298-P300 WeakPolarHBondContact O-CD 3.39Å; R298-P300 VanDerWaalsContact O-N 3.17Å; P300-N302 PolarHBondContact O-N 3.29Å; P300-N302 VanDerWaalsContact O-N 3.12Å; P300-I303 HydrophobicContact CB-CD1 4.33Å; P300-I303 PolarHBondContact O-N 3.38Å |
| 301 | R | 57.7 | Low | 68.3 | Low | 220 Ų | 220 | 82.2 Ų | 82.2 | 83% | 0.83 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -55.8 | -33.5 | -178.6 | -73.3 | -177.1 | 173.5 | 180 | -1 | 112.3 | I303 G304 I305 | R301-I303 VanDerWaalsContact C-N 3.34Å; R301-I303 PolarHBondContact O-N 3.5Å; R301-G304 WeakPolarHBondContact O-CA 3.33Å; R301-G304 PolarHBondContact O-N 2.95Å; R301-I305 PolarHBondContact O-N 3.37Å |
| 302 | N | 61.5 | Low | 68.9 | Low | 82 Ų | 82 | 89.5 Ų | 89.5 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | -175.5 | -47.8 | -1.8 | 0 | 0 | 0 | 111.5 | Y231 P300 G304 I305 S306 | Y231-N302 WeakPolarHBondContact OH-CB 3.41Å; P300-N302 PolarHBondContact O-N 3.29Å; P300-N302 VanDerWaalsContact O-N 3.12Å; N302-G304 VanDerWaalsContact C-N 3.26Å; N302-G304 PolarHBondContact O-N 3.09Å; N302-I305 CarbonylContact O-C 3.46Å; N302-I305 WeakPolarHBondContact O-CA 3.44Å; N302-I305 WeakPolarHBondContact O-CB 3.45Å; N302-I305 PolarHBondContact O-N 3.33Å; N302-S306 PolarHBondContact O-N 3.06Å; N302-S306 PolarHBondContact O-OG 3Å |
| 303 | I | 64.7 | Low | 69.5 | Low | 2 Ų | 2 | 90.5 Ų | 90.5 | 1% | 0.01 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64 | -32.9 | 174.6 | -78.1 | 76.3 | 0 | 0 | 0 | 111.5 | E227 L285 Y288 L299 P300 R301 I305 S306 K307 | E227-I303 HydrophobicContact CB-CD1 4.46Å; E227-I303 VanDerWaalsContact CD-CD1 3.41Å; E227-I303 HydrophobicContact CG-CD1 3.98Å; E227-I303 WeakPolarHBondContact OE2-CD1 3.25Å; L285-I303 HydrophobicContact CD2-CG2 3.76Å; Y288-I303 HydrophobicContact CD1-CB 4.42Å; Y288-I303 HydrophobicContact CD1-CD1 4.39Å; Y288-I303 HydrophobicContact CD1-CG1 3.79Å; Y288-I303 HydrophobicContact CD1-CG2 4.12Å; Y288-I303 HydrophobicContact CE1-CB 4.2Å; Y288-I303 HydrophobicContact CE1-CD1 3.65Å; Y288-I303 HydrophobicContact CE1-CG1 3.52Å; Y288-I303 HydrophobicContact CE1-CG2 4.36Å; Y288-I303 HydrophobicContact CE2-CD1 4.12Å; Y288-I303 HydrophobicContact CE2-CG1 4.34Å; Y288-I303 HydrophobicContact CG-CG1 4.3Å; Y288-I303 VanDerWaalsContact CZ-CD1 3.46Å; Y288-I303 WeakPolarHBondContact OH-CD1 3.05Å; L299-I303 HydrophobicContact CD2-CG2 3.91Å; P300-I303 HydrophobicContact CB-CD1 4.33Å; P300-I303 PolarHBondContact O-N 3.38Å; R301-I303 VanDerWaalsContact C-N 3.34Å; R301-I303 PolarHBondContact O-N 3.5Å; I303-I305 VanDerWaalsContact C-N 3.35Å; I303-S306 PolarHBondContact O-N 3.39Å; I303-K307 WeakPolarHBondContact O-CB 3.31Å; I303-K307 PolarHBondContact O-N 3.28Å |
| 304 | G | 66.5 | Low | 70.4 | Confident | 36 Ų | 36 | 85.6 Ų | 85.6 | 37% | 0.371 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R301 N302 T308 | R301-G304 WeakPolarHBondContact O-CA 3.33Å; R301-G304 PolarHBondContact O-N 2.95Å; N302-G304 VanDerWaalsContact C-N 3.26Å; N302-G304 PolarHBondContact O-N 3.09Å; G304-T308 WeakPolarHBondContact O-CB 3.26Å; G304-T308 PolarHBondContact O-N 2.97Å; G304-T308 VanDerWaalsContact O-N 3.09Å; G304-T308 PolarHBondContact O-OG1 2.85Å |
| 305 | I | 74.7 | Confident | 71.4 | Confident | 102 Ų | 102 | 85.3 Ų | 85.3 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 174.2 | -60.9 | 169.1 | 0 | 0 | 0 | 110.2 | R301 N302 I303 K307 T308 R309 | R301-I305 PolarHBondContact O-N 3.37Å; N302-I305 CarbonylContact O-C 3.46Å; N302-I305 WeakPolarHBondContact O-CA 3.44Å; N302-I305 WeakPolarHBondContact O-CB 3.45Å; N302-I305 PolarHBondContact O-N 3.33Å; I303-I305 VanDerWaalsContact C-N 3.35Å; I305-K307 PolarHBondContact O-N 2.92Å; I305-T308 CarbonylContact O-C 3.57Å; I305-T308 WeakPolarHBondContact O-CA 3.3Å; I305-T308 WeakPolarHBondContact O-CB 3.24Å; I305-T308 PolarHBondContact O-N 2.87Å; I305-R309 PolarHBondContact O-N 3.48Å |
| 306 | S | 75.1 | Confident | 72.6 | Confident | 2 Ų | 2 | 88.3 Ų | 88.3 | 1% | 0.014 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.8 | -49.2 | 175.3 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | Y231 I234 N302 I303 T308 R309 L310 | Y231-S306 WeakPolarHBondContact CE1-OG 3.33Å; I234-S306 VanDerWaalsContact CD1-CB 3.48Å; I234-S306 VanDerWaalsContact CD1-O 3.32Å; I234-S306 WeakPolarHBondContact CD1-O 3.47Å; N302-S306 PolarHBondContact O-N 3.06Å; N302-S306 PolarHBondContact O-OG 3Å; I303-S306 PolarHBondContact O-N 3.39Å; S306-T308 PolarHBondContact O-N 2.91Å; S306-R309 PolarHBondContact O-N 3.41Å; S306-L310 PolarHBondContact O-N 2.93Å |
| 307 | K | 78.9 | Confident | 74 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 45% | 0.452 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.6 | -34.8 | 173 | -170.4 | 162.8 | -173.7 | 163.9 | 0 | 112.3 | L285 I303 I305 F311 | L285-K307 HydrophobicContact CD1-CB 4.13Å; L285-K307 HydrophobicContact CD1-CG 4.22Å; L285-K307 HydrophobicContact CD2-CB 4.42Å; I303-K307 WeakPolarHBondContact O-CB 3.31Å; I303-K307 PolarHBondContact O-N 3.28Å; I305-K307 PolarHBondContact O-N 2.92Å; K307-F311 HydrophobicContact CD-CE2 4.37Å; K307-F311 HydrophobicContact CG-CD2 3.96Å; K307-F311 HydrophobicContact CG-CE2 3.7Å; K307-F311 WeakPolarHBondContact O-CD2 3.45Å; K307-F311 PolarHBondContact O-N 3.45Å |
| 308 | T | 80.6 | Confident | 75.5 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -75 | -35.9 | 176.9 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | G304 I305 S306 R312 | G304-T308 WeakPolarHBondContact O-CB 3.26Å; G304-T308 PolarHBondContact O-N 2.97Å; G304-T308 VanDerWaalsContact O-N 3.09Å; G304-T308 PolarHBondContact O-OG1 2.85Å; I305-T308 CarbonylContact O-C 3.57Å; I305-T308 WeakPolarHBondContact O-CA 3.3Å; I305-T308 WeakPolarHBondContact O-CB 3.24Å; I305-T308 PolarHBondContact O-N 2.87Å; S306-T308 PolarHBondContact O-N 2.91Å; T308-R312 WeakPolarHBondContact O-CB 3.08Å; T308-R312 PolarHBondContact O-N 3.05Å; T308-R312 VanDerWaalsContact O-N 3.12Å |
| 309 | R | 83.5 | Confident | 76.9 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.8 | -54.4 | 170.9 | -74.5 | 168.5 | 74.6 | 171.3 | 5.8 | 109.7 | I234 E238 I305 S306 F311 R312 I313 | I234-R309 HydrophobicContact CG2-CB 4.13Å; E238-R309 IonicContact OE1-CZ 2.98Å; E238-R309 VanDerWaalsContact OE1-CZ 3.26Å; E238-R309 IonicContact OE1-NE 2.61Å; E238-R309 PolarHBondContact OE1-NE 3.4Å; E238-R309 IonicContact OE1-NH2 2.91Å; E238-R309 PolarHBondContact OE1-NH2 3.08Å; E238-R309 IonicContact OE2-CZ 2.66Å; E238-R309 IonicContact OE2-NH2 3.58Å; E238-R309 PolarHBondContact OE2-NH2 2.82Å; I305-R309 PolarHBondContact O-N 3.48Å; S306-R309 PolarHBondContact O-N 3.41Å; R309-F311 PolarHBondContact O-N 2.78Å; R309-R312 WeakPolarHBondContact O-CA 3.49Å; R309-R312 WeakPolarHBondContact O-CB 3.35Å; R309-R312 PolarHBondContact O-N 3.13Å; R309-I313 HydrophobicContact CB-CD1 4.29Å; R309-I313 WeakPolarHBondContact O-CD1 3.31Å; R309-I313 PolarHBondContact O-N 3.33Å |
| 310 | L | 85.7 | Confident | 78.3 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -51.1 | -51.1 | 179.8 | -171.7 | 69.6 | 0 | 0 | 0 | 112.1 | I234 I237 Y278 C281 I282 L285 S306 R312 I313 W314 | I234-L310 HydrophobicContact CD1-CB 4.49Å; I234-L310 HydrophobicContact CG1-CB 4.47Å; I234-L310 HydrophobicContact CG1-CD1 4.29Å; I237-L310 HydrophobicContact CD1-CD1 3.48Å; I237-L310 VanDerWaalsContact CD1-CD1 3.48Å; Y278-L310 HydrophobicContact CD2-CD1 3.69Å; Y278-L310 HydrophobicContact CD2-CD2 4.25Å; Y278-L310 HydrophobicContact CD2-CG 3.86Å; Y278-L310 HydrophobicContact CE2-CD1 4.15Å; Y278-L310 HydrophobicContact CE2-CD2 4.15Å; Y278-L310 HydrophobicContact CE2-CG 3.8Å; C281-L310 HydrophobicContact CB-CD1 3.88Å; C281-L310 HydrophobicContact CB-CD2 3.67Å; C281-L310 HydrophobicContact CB-CG 4.45Å; I282-L310 HydrophobicContact CG1-CD2 4.12Å; L285-L310 HydrophobicContact CD1-CD2 3.83Å; S306-L310 PolarHBondContact O-N 2.93Å; L310-R312 VanDerWaalsContact C-N 3.29Å; L310-R312 PolarHBondContact O-N 3.1Å; L310-I313 PolarHBondContact O-N 3.23Å; L310-W314 VanDerWaalsContact O-CB 3.27Å; L310-W314 WeakPolarHBondContact O-CB 3.15Å; L310-W314 PolarHBondContact O-N 3.32Å |
| 311 | F | 83.3 | Confident | 79.6 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 46% | 0.461 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71 | -15.9 | 177.4 | -74.7 | -56.5 | 0 | 0 | 0 | 115.1 | Y278 K307 R309 P315 | Y278-F311 WeakPolarHBondContact OH-CE1 3.49Å; K307-F311 HydrophobicContact CD-CE2 4.37Å; K307-F311 HydrophobicContact CG-CD2 3.96Å; K307-F311 HydrophobicContact CG-CE2 3.7Å; K307-F311 WeakPolarHBondContact O-CD2 3.45Å; K307-F311 PolarHBondContact O-N 3.45Å; R309-F311 PolarHBondContact O-N 2.78Å; F311-P315 VanDerWaalsContact O-CD 3.28Å; F311-P315 WeakPolarHBondContact O-CD 3.48Å |
| 312 | R | 83.9 | Confident | 80.9 | Confident | 197 Ų | 197 | 64.8 Ų | 64.8 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -84.8 | -34 | 175.9 | -175.3 | -178.5 | -177.8 | -160.1 | -0.3 | 112.4 | T308 R309 L310 | T308-R312 WeakPolarHBondContact O-CB 3.08Å; T308-R312 PolarHBondContact O-N 3.05Å; T308-R312 VanDerWaalsContact O-N 3.12Å; R309-R312 WeakPolarHBondContact O-CA 3.49Å; R309-R312 WeakPolarHBondContact O-CB 3.35Å; R309-R312 PolarHBondContact O-N 3.13Å; L310-R312 VanDerWaalsContact C-N 3.29Å; L310-R312 PolarHBondContact O-N 3.1Å |
| 313 | I | 84.8 | Confident | 82 | Confident | 20 Ų | 20 | 64.1 Ų | 64.1 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -89 | -41.9 | -175.7 | -62 | 147.3 | 0 | 0 | 0 | 110.8 | I237 E238 Y241 R309 L310 K316 L317 | I237-I313 HydrophobicContact CG2-CG2 3.93Å; E238-I313 HydrophobicContact CG-CD1 3.32Å; E238-I313 HydrophobicContact CG-CG1 4.36Å; E238-I313 WeakPolarHBondContact OE1-CD1 3.49Å; Y241-I313 HydrophobicContact CD2-CG2 4.47Å; Y241-I313 HydrophobicContact CG-CG2 4.21Å; R309-I313 HydrophobicContact CB-CD1 4.29Å; R309-I313 WeakPolarHBondContact O-CD1 3.31Å; R309-I313 PolarHBondContact O-N 3.33Å; L310-I313 PolarHBondContact O-N 3.23Å; I313-K316 WeakPolarHBondContact O-CB 3.2Å; I313-K316 PolarHBondContact O-N 3.16Å; I313-L317 PolarHBondContact O-N 3.17Å |
| 314 | W | 89.8 | Confident | 82.9 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -50 | -45.9 | -174.9 | -176.6 | -104.3 | 0 | 0 | 0 | 114.9 | A274 K275 Y278 L310 K316 L317 T318 | A274-W314 VanDerWaalsContact C-CZ3 3.5Å; A274-W314 HydrophobicContact CB-CH2 4.03Å; A274-W314 HydrophobicContact CB-CZ3 3.75Å; A274-W314 WeakPolarHBondContact O-CZ3 3.5Å; K275-W314 HydrophobicContact CB-CH2 4.28Å; K275-W314 HydrophobicContact CG-CH2 3.78Å; K275-W314 HydrophobicContact CG-CZ2 4.1Å; Y278-W314 VanDerWaalsContact CB-CZ3 3.46Å; Y278-W314 HydrophobicContact CD1-CD2 4.15Å; Y278-W314 HydrophobicContact CD1-CE3 4.41Å; Y278-W314 HydrophobicContact CD1-CZ2 4.25Å; Y278-W314 HydrophobicContact CD2-CB 3.96Å; Y278-W314 AromaticContact CD2-CD2 3.37Å; Y278-W314 HydrophobicContact CD2-CD2 3.37Å; Y278-W314 AromaticContact CD2-CE3 3.38Å; Y278-W314 HydrophobicContact CD2-CE3 3.38Å; Y278-W314 AromaticContact CD2-CG 3.61Å; Y278-W314 HydrophobicContact CD2-CG 3.61Å; Y278-W314 HydrophobicContact CD2-CZ3 4.13Å; Y278-W314 HydrophobicContact CE1-CD2 4.33Å; Y278-W314 HydrophobicContact CE1-CG 4.45Å; Y278-W314 HydrophobicContact CE2-CB 3.57Å; Y278-W314 AromaticContact CE2-CD1 3.77Å; Y278-W314 AromaticContact CE2-CD2 3.6Å; Y278-W314 HydrophobicContact CE2-CD2 3.6Å; Y278-W314 HydrophobicContact CE2-CE3 4.09Å; Y278-W314 AromaticContact CE2-CG 3.31Å; Y278-W314 HydrophobicContact CE2-CG 3.31Å; Y278-W314 AromaticContact CG-CD2 3.67Å; Y278-W314 HydrophobicContact CG-CD2 3.67Å; Y278-W314 AromaticContact CG-CE2 3.99Å; Y278-W314 AromaticContact CG-CE3 3.57Å; Y278-W314 HydrophobicContact CG-CE3 3.57Å; Y278-W314 HydrophobicContact CG-CG 4.3Å; Y278-W314 HydrophobicContact CG-CH2 4.22Å; Y278-W314 HydrophobicContact CG-CZ2 4.27Å; Y278-W314 AromaticContact CG-CZ3 3.85Å; Y278-W314 HydrophobicContact CG-CZ3 3.85Å; Y278-W314 AromaticContact CZ-CD1 3.73Å; Y278-W314 AromaticContact CZ-CG 3.77Å; Y278-W314 AromaticContact CZ-NE1 3.99Å; L310-W314 VanDerWaalsContact O-CB 3.27Å; L310-W314 WeakPolarHBondContact O-CB 3.15Å; L310-W314 PolarHBondContact O-N 3.32Å; W314-K316 PolarHBondContact O-N 3.48Å; W314-L317 HydrophobicContact CE3-CD2 4.1Å; W314-L317 HydrophobicContact CZ3-CD2 4.02Å; W314-L317 WeakPolarHBondContact O-CB 3.15Å; W314-L317 PolarHBondContact O-N 3.35Å; W314-T318 HydrophobicContact CD2-CG2 4.46Å; W314-T318 HydrophobicContact CH2-CG2 4.44Å; W314-T318 HydrophobicContact CZ2-CG2 3.8Å; W314-T318 PolarHBondContact O-N 2.76Å; W314-T318 VanDerWaalsContact O-N 3.08Å; W314-T318 PolarHBondContact O-OG1 2.73Å |
| 315 | P | 85.6 | Confident | 83.9 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 178.6 | -20.7 | 34.4 | 0 | 0 | 0 | 113 | F311 L317 T318 D319 | F311-P315 VanDerWaalsContact O-CD 3.28Å; F311-P315 WeakPolarHBondContact O-CD 3.48Å; P315-L317 VanDerWaalsContact C-N 3.3Å; P315-L317 PolarHBondContact O-N 2.94Å; P315-T318 WeakPolarHBondContact CA-OG1 3.49Å; P315-T318 PolarHBondContact O-N 3.12Å; P315-T318 PolarHBondContact O-OG1 3.13Å; P315-D319 WeakPolarHBondContact O-CB 3.19Å; P315-D319 PolarHBondContact O-N 3.37Å |
| 316 | K | 86 | Confident | 84.5 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 179.5 | -49.9 | 174.7 | 91 | -120.9 | 0 | 110.8 | Y241 I313 W314 D319 R320 | Y241-K316 HydrophobicContact CD2-CB 4.14Å; Y241-K316 HydrophobicContact CE2-CB 3.42Å; Y241-K316 VanDerWaalsContact CE2-CB 3.42Å; Y241-K316 PolarHBondContact OH-NZ 2.95Å; I313-K316 WeakPolarHBondContact O-CB 3.2Å; I313-K316 PolarHBondContact O-N 3.16Å; W314-K316 PolarHBondContact O-N 3.48Å; K316-D319 PolarHBondContact O-N 2.95Å; K316-R320 PolarHBondContact O-N 3.47Å |
| 317 | L | 87.6 | Confident | 85 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63 | -47 | 177 | -176.6 | 61.1 | 0 | 0 | 0 | 111.1 | I237 Y241 I244 A274 I313 W314 P315 L321 | I237-L317 HydrophobicContact CG2-CD2 4.14Å; Y241-L317 HydrophobicContact CD2-CB 4.11Å; Y241-L317 HydrophobicContact CD2-CD1 4.28Å; I244-L317 HydrophobicContact CD1-CD1 3.49Å; I244-L317 VanDerWaalsContact CD1-CD1 3.49Å; A274-L317 HydrophobicContact CB-CD2 3.7Å; A274-L317 HydrophobicContact CB-CG 4.36Å; I313-L317 PolarHBondContact O-N 3.17Å; W314-L317 HydrophobicContact CE3-CD2 4.1Å; W314-L317 HydrophobicContact CZ3-CD2 4.02Å; W314-L317 WeakPolarHBondContact O-CB 3.15Å; W314-L317 PolarHBondContact O-N 3.35Å; P315-L317 VanDerWaalsContact C-N 3.3Å; P315-L317 PolarHBondContact O-N 2.94Å; L317-L321 HydrophobicContact CD1-CD1 4.4Å; L317-L321 HydrophobicContact CG-CD1 4.19Å; L317-L321 WeakPolarHBondContact O-CB 3.36Å; L317-L321 WeakPolarHBondContact O-CD1 3.41Å; L317-L321 WeakPolarHBondContact O-CG 3.34Å; L317-L321 PolarHBondContact O-N 2.74Å |
| 318 | T | 87.1 | Confident | 85.4 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 176.5 | 49.3 | 0 | 0 | 0 | 0 | 113 | W314 P315 L322 | W314-T318 HydrophobicContact CD2-CG2 4.46Å; W314-T318 HydrophobicContact CH2-CG2 4.44Å; W314-T318 HydrophobicContact CZ2-CG2 3.8Å; W314-T318 PolarHBondContact O-N 2.76Å; W314-T318 VanDerWaalsContact O-N 3.08Å; W314-T318 PolarHBondContact O-OG1 2.73Å; P315-T318 WeakPolarHBondContact CA-OG1 3.49Å; P315-T318 PolarHBondContact O-N 3.12Å; P315-T318 PolarHBondContact O-OG1 3.13Å; T318-L322 VanDerWaalsContact O-CG 3.3Å; T318-L322 WeakPolarHBondContact O-CG 3.27Å; T318-L322 PolarHBondContact O-N 2.99Å |
| 319 | D | 85.4 | Confident | 85.8 | Confident | 106 Ų | 106 | 58.1 Ų | 58.1 | 57% | 0.567 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.2 | -43.4 | 178.4 | -69.4 | -16.3 | 0 | 0 | 0 | 111.5 | P315 K316 L322 E323 | P315-D319 WeakPolarHBondContact O-CB 3.19Å; P315-D319 PolarHBondContact O-N 3.37Å; K316-D319 PolarHBondContact O-N 2.95Å; D319-L322 PolarHBondContact O-N 3.16Å; D319-E323 PolarHBondContact O-N 2.94Å; D319-E323 VanDerWaalsContact O-N 3.16Å |
| 320 | R | 84 | Confident | 86 | Confident | 70 Ų | 70 | 54.9 Ų | 54.9 | 26% | 0.264 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 177.7 | -77.8 | -74.5 | 174.8 | -115.9 | 0.4 | 113 | Y241 I244 K316 E323 L324 | Y241-R320 HydrophobicContact CE2-CG 4.5Å; I244-R320 HydrophobicContact CG2-CB 3.73Å; K316-R320 PolarHBondContact O-N 3.47Å; R320-E323 IonicContact NH1-OE2 2.73Å; R320-E323 PolarHBondContact NH1-OE2 3.02Å; R320-E323 PolarHBondContact O-N 3.01Å; R320-L324 WeakPolarHBondContact O-CB 3.36Å; R320-L324 PolarHBondContact O-N 3.11Å |
| 321 | L | 85.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56 | -53.2 | 172.5 | -84.5 | 166.2 | 0 | 0 | 0 | 111.1 | I244 H267 E271 L317 E323 L324 Q325 | I244-L321 HydrophobicContact CD1-CD1 4.19Å; I244-L321 HydrophobicContact CD1-CD2 3.66Å; I244-L321 HydrophobicContact CD1-CG 3.76Å; I244-L321 HydrophobicContact CG1-CD2 4.48Å; H267-L321 VanDerWaalsContact CE1-C 3.48Å; H267-L321 VanDerWaalsContact CE1-CD2 3.49Å; H267-L321 WeakPolarHBondContact CE1-CD2 3.34Å; H267-L321 PolarHBondContact CE1-O 3.26Å; H267-L321 PolarHBondContact ND1-O 3.4Å; E271-L321 HydrophobicContact CB-CD1 4.17Å; E271-L321 HydrophobicContact CB-CD2 4.12Å; E271-L321 HydrophobicContact CG-CD1 4.16Å; L317-L321 HydrophobicContact CD1-CD1 4.4Å; L317-L321 HydrophobicContact CG-CD1 4.19Å; L317-L321 WeakPolarHBondContact O-CB 3.36Å; L317-L321 WeakPolarHBondContact O-CD1 3.41Å; L317-L321 WeakPolarHBondContact O-CG 3.34Å; L317-L321 PolarHBondContact O-N 2.74Å; L321-E323 VanDerWaalsContact C-N 3.25Å; L321-E323 PolarHBondContact O-N 3.48Å; L321-L324 PolarHBondContact O-N 3.37Å; L321-Q325 PolarHBondContact O-N 3.05Å |
| 322 | L | 85.2 | Confident | 86.5 | Confident | 103 Ų | 103 | 53 Ų | 53 | 54% | 0.539 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.2 | -35.3 | 179.7 | -71.6 | 168.1 | 0 | 0 | 0 | 112.9 | T318 D319 A326 | T318-L322 VanDerWaalsContact O-CG 3.3Å; T318-L322 WeakPolarHBondContact O-CG 3.27Å; T318-L322 PolarHBondContact O-N 2.99Å; D319-L322 PolarHBondContact O-N 3.16Å; L322-A326 WeakPolarHBondContact O-CB 3.5Å; L322-A326 PolarHBondContact O-N 3.24Å |
| 323 | E | 83.4 | Confident | 86.8 | Confident | 68 Ų | 68 | 48.3 Ų | 48.3 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.4 | -41.7 | 177.5 | -155.3 | -171.3 | 155.9 | 0 | 0 | 112.8 | Y248 D319 R320 L321 A326 R327 | Y248-E323 HydrophobicContact CE2-CG 4.37Å; Y248-E323 WeakPolarHBondContact CE2-OE2 3.4Å; Y248-E323 PolarHBondContact OH-OE1 2.76Å; Y248-E323 PolarHBondContact OH-OE2 3.37Å; D319-E323 PolarHBondContact O-N 2.94Å; D319-E323 VanDerWaalsContact O-N 3.16Å; R320-E323 IonicContact NH1-OE2 2.73Å; R320-E323 PolarHBondContact NH1-OE2 3.02Å; R320-E323 PolarHBondContact O-N 3.01Å; L321-E323 VanDerWaalsContact C-N 3.25Å; L321-E323 PolarHBondContact O-N 3.48Å; E323-A326 PolarHBondContact O-N 3.25Å; E323-R327 WeakPolarHBondContact O-CG 3.17Å; E323-R327 PolarHBondContact O-N 3.17Å; E323-R327 IonicContact OE1-CZ 3.83Å; E323-R327 IonicContact OE1-NE 3.8Å; E323-R327 PolarHBondContact OE1-NE 2.8Å; E323-R327 IonicContact OE1-NH2 3.75Å; E323-R327 PolarHBondContact OE1-NH2 2.6Å |
| 324 | L | 84.3 | Confident | 87.1 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 176.6 | -179.8 | 63.2 | 0 | 0 | 0 | 111.5 | M247 H267 R320 L321 R327 T328 | M247-L324 HydrophobicContact CE-CD2 4.2Å; H267-L324 HydrophobicContact CB-CD2 4.29Å; R320-L324 WeakPolarHBondContact O-CB 3.36Å; R320-L324 PolarHBondContact O-N 3.11Å; L321-L324 PolarHBondContact O-N 3.37Å; L324-R327 PolarHBondContact O-N 3.39Å; L324-T328 WeakPolarHBondContact O-CB 3.41Å; L324-T328 PolarHBondContact O-N 3.38Å; L324-T328 VanDerWaalsContact O-N 3.09Å; L324-T328 PolarHBondContact O-OG1 3.01Å |
| 325 | Q | 88.2 | Confident | 87.1 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.4 | -54 | 173 | -173.2 | -178.7 | -13.3 | 0 | 0 | 110.9 | L264 L321 R327 T328 E329 | L264-Q325 HydrophobicContact CD2-CG 4.09Å; L321-Q325 PolarHBondContact O-N 3.05Å; Q325-R327 VanDerWaalsContact C-N 3.3Å; Q325-R327 PolarHBondContact O-N 3.31Å; Q325-T328 PolarHBondContact O-N 2.9Å; Q325-T328 VanDerWaalsContact O-N 3.1Å; Q325-E329 HydrophobicContact CG-CG 4.24Å; Q325-E329 WeakPolarHBondContact CG-OE1 3.42Å; Q325-E329 PolarHBondContact NE2-OE1 2.78Å; Q325-E329 WeakPolarHBondContact O-CG 3.34Å; Q325-E329 PolarHBondContact O-N 2.82Å |
| 326 | A | 86.3 | Confident | 87.2 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 45% | 0.446 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -33.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L322 E323 A330 | L322-A326 WeakPolarHBondContact O-CB 3.5Å; L322-A326 PolarHBondContact O-N 3.24Å; E323-A326 PolarHBondContact O-N 3.25Å; A326-A330 PolarHBondContact O-N 2.71Å |
| 327 | R | 86.1 | Confident | 87.4 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 11% | 0.109 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69 | -43.6 | 173.6 | -69.1 | 174.4 | -179.1 | -144.2 | 3.4 | 111.6 | Y248 N251 V253 E323 L324 Q325 A330 A331 | Y248-R327 PolarHBondContact OH-NH2 2.62Å; N251-R327 PolarHBondContact OD1-NH1 3.07Å; V253-R327 HydrophobicContact CG1-CB 3.78Å; E323-R327 WeakPolarHBondContact O-CG 3.17Å; E323-R327 PolarHBondContact O-N 3.17Å; E323-R327 IonicContact OE1-CZ 3.83Å; E323-R327 IonicContact OE1-NE 3.8Å; E323-R327 PolarHBondContact OE1-NE 2.8Å; E323-R327 IonicContact OE1-NH2 3.75Å; E323-R327 PolarHBondContact OE1-NH2 2.6Å; L324-R327 PolarHBondContact O-N 3.39Å; Q325-R327 VanDerWaalsContact C-N 3.3Å; Q325-R327 PolarHBondContact O-N 3.31Å; R327-A330 PolarHBondContact O-N 2.75Å; R327-A331 PolarHBondContact O-N 2.69Å |
| 328 | T | 87.2 | Confident | 87.5 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.9 | -35.9 | -176 | -45.4 | 0 | 0 | 0 | 0 | 112.4 | S260 L263 L264 L324 Q325 A330 A331 K332 | S260-T328 VanDerWaalsContact O-CG2 3.25Å; S260-T328 WeakPolarHBondContact O-CG2 3.24Å; L263-T328 HydrophobicContact CB-CG2 3.78Å; L264-T328 HydrophobicContact CB-CG2 4.42Å; L264-T328 HydrophobicContact CD1-CG2 4.34Å; L264-T328 HydrophobicContact CG-CG2 3.77Å; L324-T328 WeakPolarHBondContact O-CB 3.41Å; L324-T328 PolarHBondContact O-N 3.38Å; L324-T328 VanDerWaalsContact O-N 3.09Å; L324-T328 PolarHBondContact O-OG1 3.01Å; Q325-T328 PolarHBondContact O-N 2.9Å; Q325-T328 VanDerWaalsContact O-N 3.1Å; T328-A330 VanDerWaalsContact C-N 3.32Å; T328-A330 PolarHBondContact O-N 3.19Å; T328-A331 PolarHBondContact O-N 3.15Å; T328-K332 WeakPolarHBondContact O-CB 3.33Å; T328-K332 PolarHBondContact O-N 3.35Å |
| 329 | E | 88.6 | Confident | 87.5 | Confident | 87 Ų | 87 | 42.1 Ų | 42.1 | 41% | 0.407 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 170.2 | -71.3 | -173.5 | -175.9 | 0 | 0 | 112.4 | L264 Q325 K333 | L264-E329 HydrophobicContact CD1-CG 4.02Å; L264-E329 HydrophobicContact CD2-CG 3.69Å; L264-E329 HydrophobicContact CG-CG 4.42Å; Q325-E329 HydrophobicContact CG-CG 4.24Å; Q325-E329 WeakPolarHBondContact CG-OE1 3.42Å; Q325-E329 PolarHBondContact NE2-OE1 2.78Å; Q325-E329 WeakPolarHBondContact O-CG 3.34Å; Q325-E329 PolarHBondContact O-N 2.82Å; E329-K333 VanDerWaalsContact O-CB 3.24Å; E329-K333 WeakPolarHBondContact O-CB 3.38Å; E329-K333 PolarHBondContact O-N 3.46Å |
| 330 | A | 88.8 | Confident | 87.6 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 21% | 0.207 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A326 R327 T328 K333 V334 L400 | A326-A330 PolarHBondContact O-N 2.71Å; R327-A330 PolarHBondContact O-N 2.75Å; T328-A330 VanDerWaalsContact C-N 3.32Å; T328-A330 PolarHBondContact O-N 3.19Å; A330-K333 PolarHBondContact O-N 3Å; A330-V334 VanDerWaalsContact O-CG2 3.25Å; A330-V334 WeakPolarHBondContact O-CG2 3.09Å; A330-V334 PolarHBondContact O-N 2.88Å; A330-L400 HydrophobicContact CB-CD1 4.24Å |
| 331 | A | 88.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.8 | -49.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V253 R327 T328 K333 V334 Y335 L400 | V253-A331 HydrophobicContact CB-CB 3.82Å; V253-A331 HydrophobicContact CG2-CB 3.97Å; R327-A331 PolarHBondContact O-N 2.69Å; T328-A331 PolarHBondContact O-N 3.15Å; A331-K333 VanDerWaalsContact C-N 3.34Å; A331-K333 PolarHBondContact O-N 3.2Å; A331-V334 WeakPolarHBondContact O-CB 2.97Å; A331-V334 PolarHBondContact O-N 3.46Å; A331-V334 VanDerWaalsContact O-N 3.15Å; A331-Y335 HydrophobicContact CB-CE2 4.2Å; A331-Y335 WeakPolarHBondContact O-CD2 3.33Å; A331-Y335 PolarHBondContact O-N 3.4Å; A331-L400 VanDerWaalsContact CA-CD2 3.43Å; A331-L400 HydrophobicContact CB-CD2 3.76Å |
| 332 | K | 89.8 | Confident | 88 | Confident | 66 Ų | 66 | 39.7 Ų | 39.7 | 29% | 0.287 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -54 | -49 | 174.4 | -179.5 | 176.1 | 178.7 | 163.2 | 0 | 111.9 | S260 E261 L264 T328 V334 Y335 V336 | S260-K332 WeakPolarHBondContact OG-CA 3.43Å; S260-K332 WeakPolarHBondContact OG-CB 3.3Å; E261-K332 HydrophobicContact CG-CD 3.77Å; E261-K332 HydrophobicContact CG-CG 4.31Å; E261-K332 WeakPolarHBondContact OE1-CE 3.49Å; E261-K332 IonicContact OE1-NZ 2.73Å; E261-K332 PolarHBondContact OE1-NZ 3.07Å; L264-K332 HydrophobicContact CD1-CB 4.11Å; L264-K332 HydrophobicContact CD1-CD 3.65Å; T328-K332 WeakPolarHBondContact O-CB 3.33Å; T328-K332 PolarHBondContact O-N 3.35Å; K332-V334 VanDerWaalsContact C-N 3.31Å; K332-V334 PolarHBondContact O-N 2.88Å; K332-Y335 PolarHBondContact O-N 2.86Å; K332-V336 HydrophobicContact CG-CG2 4.12Å; K332-V336 WeakPolarHBondContact O-CB 3.33Å; K332-V336 VanDerWaalsContact O-CG2 3.27Å; K332-V336 WeakPolarHBondContact O-CG2 3.44Å; K332-V336 PolarHBondContact O-N 3.08Å |
| 333 | K | 90.5 | Very high | 88 | Confident | 99 Ų | 99 | 37.4 Ų | 37.4 | 43% | 0.43 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.9 | -43.5 | 178.8 | -179.2 | -176.9 | 172.2 | -145.2 | 0 | 111.5 | E329 A330 A331 T337 I393 T396 | E329-K333 VanDerWaalsContact O-CB 3.24Å; E329-K333 WeakPolarHBondContact O-CB 3.38Å; E329-K333 PolarHBondContact O-N 3.46Å; A330-K333 PolarHBondContact O-N 3Å; A331-K333 VanDerWaalsContact C-N 3.34Å; A331-K333 PolarHBondContact O-N 3.2Å; K333-T337 VanDerWaalsContact O-CB 3.25Å; K333-T337 WeakPolarHBondContact O-CB 3.21Å; K333-T337 PolarHBondContact O-N 2.84Å; K333-T337 VanDerWaalsContact O-N 3.07Å; K333-T337 PolarHBondContact O-OG1 2.88Å; K333-I393 HydrophobicContact CG-CD1 4.43Å; K333-T396 HydrophobicContact CD-CG2 3.88Å; K333-T396 HydrophobicContact CG-CG2 4.38Å; K333-T396 PolarHBondContact NZ-OG1 3.38Å |
| 334 | V | 90.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -51.5 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | A330 A331 K332 T338 I393 T396 L400 I427 | A330-V334 VanDerWaalsContact O-CG2 3.25Å; A330-V334 WeakPolarHBondContact O-CG2 3.09Å; A330-V334 PolarHBondContact O-N 2.88Å; A331-V334 WeakPolarHBondContact O-CB 2.97Å; A331-V334 PolarHBondContact O-N 3.46Å; A331-V334 VanDerWaalsContact O-N 3.15Å; K332-V334 VanDerWaalsContact C-N 3.31Å; K332-V334 PolarHBondContact O-N 2.88Å; V334-T338 VanDerWaalsContact O-CB 3.23Å; V334-T338 WeakPolarHBondContact O-CB 3.32Å; V334-T338 PolarHBondContact O-N 2.72Å; V334-T338 PolarHBondContact O-OG1 2.8Å; V334-I393 HydrophobicContact CG2-CD1 4.39Å; V334-T396 HydrophobicContact CG2-CG2 3.8Å; V334-L400 HydrophobicContact CG2-CD2 4.42Å; V334-I427 HydrophobicContact CG1-CG1 4.36Å; V334-I427 HydrophobicContact CG1-CG2 3.89Å |
| 335 | Y | 90.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -54.7 | -179.6 | -63.3 | -48.4 | 0 | 0 | 0 | 112.3 | G254 K255 A331 K332 T337 T338 D339 V426 I427 K430 | G254-Y335 WeakPolarHBondContact O-CE2 3.27Å; G254-Y335 PolarHBondContact O-OH 3.14Å; G254-Y335 VanDerWaalsContact O-OH 3.08Å; K255-Y335 VanDerWaalsContact C-CZ 3.5Å; K255-Y335 VanDerWaalsContact C-OH 3.26Å; K255-Y335 PolarHBondContact O-OH 3.07Å; A331-Y335 HydrophobicContact CB-CE2 4.2Å; A331-Y335 WeakPolarHBondContact O-CD2 3.33Å; A331-Y335 PolarHBondContact O-N 3.4Å; K332-Y335 PolarHBondContact O-N 2.86Å; Y335-T337 PolarHBondContact O-N 2.83Å; Y335-T338 PolarHBondContact O-N 2.78Å; Y335-D339 PolarHBondContact O-N 2.74Å; Y335-V426 HydrophobicContact CE1-CG1 4.15Å; Y335-I427 HydrophobicContact CE1-CG1 3.88Å; Y335-K430 HydrophobicContact CD1-CD 4.1Å |
| 336 | V | 88.6 | Confident | 88.2 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.2 | -51.4 | -178.5 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | Q257 K332 T338 D339 M340 | Q257-V336 HydrophobicContact CG-CG2 3.79Å; K332-V336 HydrophobicContact CG-CG2 4.12Å; K332-V336 WeakPolarHBondContact O-CB 3.33Å; K332-V336 VanDerWaalsContact O-CG2 3.27Å; K332-V336 WeakPolarHBondContact O-CG2 3.44Å; K332-V336 PolarHBondContact O-N 3.08Å; V336-T338 VanDerWaalsContact C-N 3.35Å; V336-T338 PolarHBondContact O-N 3.12Å; V336-D339 PolarHBondContact O-N 3.26Å; V336-M340 HydrophobicContact CG1-CG 4.43Å; V336-M340 HydrophobicContact CG1-SD 3.83Å; V336-M340 WeakPolarHBondContact O-CB 3.32Å; V336-M340 VanDerWaalsContact O-CG 3.24Å; V336-M340 WeakPolarHBondContact O-CG 3.18Å; V336-M340 PolarHBondContact O-N 3.22Å |
| 337 | T | 89.4 | Confident | 88.1 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 27% | 0.27 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.8 | -36.8 | -175 | -47.9 | 0 | 0 | 0 | 0 | 111.2 | K333 Y335 L341 I393 | K333-T337 VanDerWaalsContact O-CB 3.25Å; K333-T337 WeakPolarHBondContact O-CB 3.21Å; K333-T337 PolarHBondContact O-N 2.84Å; K333-T337 VanDerWaalsContact O-N 3.07Å; K333-T337 PolarHBondContact O-OG1 2.88Å; Y335-T337 PolarHBondContact O-N 2.83Å; T337-L341 HydrophobicContact CG2-CD1 4.07Å; T337-L341 HydrophobicContact CG2-CG 4.49Å; T337-L341 WeakPolarHBondContact O-CB 3.25Å; T337-L341 VanDerWaalsContact O-CG 3.26Å; T337-L341 WeakPolarHBondContact O-CG 3.33Å; T337-L341 PolarHBondContact O-N 3.27Å; T337-I393 VanDerWaalsContact CB-CD1 3.45Å; T337-I393 HydrophobicContact CG2-CB 4.1Å; T337-I393 HydrophobicContact CG2-CD1 3.84Å; T337-I393 HydrophobicContact CG2-CG1 3.97Å |
| 338 | T | 89.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 179 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | V334 Y335 V336 L341 L342 K430 L431 L434 | V334-T338 VanDerWaalsContact O-CB 3.23Å; V334-T338 WeakPolarHBondContact O-CB 3.32Å; V334-T338 PolarHBondContact O-N 2.72Å; V334-T338 PolarHBondContact O-OG1 2.8Å; Y335-T338 PolarHBondContact O-N 2.78Å; V336-T338 VanDerWaalsContact C-N 3.35Å; V336-T338 PolarHBondContact O-N 3.12Å; T338-L341 PolarHBondContact O-N 2.85Å; T338-L342 WeakPolarHBondContact O-CB 3.18Å; T338-L342 PolarHBondContact O-N 3.5Å; T338-K430 HydrophobicContact CG2-CB 3.91Å; T338-K430 WeakPolarHBondContact CG2-O 3.23Å; T338-L431 HydrophobicContact CG2-CD2 4.47Å; T338-L434 HydrophobicContact CG2-CB 3.9Å; T338-L434 HydrophobicContact CG2-CD2 3.91Å |
| 339 | D | 86.7 | Confident | 87.8 | Confident | 48 Ų | 48 | 43 Ų | 43 | 26% | 0.257 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.1 | -36.1 | 179 | -65.6 | -27.2 | 0 | 0 | 0 | 112.5 | Y335 V336 L342 T343 K430 | Y335-D339 PolarHBondContact O-N 2.74Å; V336-D339 PolarHBondContact O-N 3.26Å; D339-L342 PolarHBondContact O-N 3.44Å; D339-T343 WeakPolarHBondContact O-CB 3.29Å; D339-T343 PolarHBondContact O-N 3.34Å; D339-T343 PolarHBondContact O-OG1 3.38Å; D339-K430 IonicContact OD1-NZ 3.89Å; D339-K430 PolarHBondContact OD1-NZ 2.88Å; D339-K430 IonicContact OD2-NZ 2.67Å; D339-K430 PolarHBondContact OD2-NZ 3.23Å |
| 340 | M | 88.2 | Confident | 87.2 | Confident | 101 Ų | 101 | 43.1 Ų | 43.1 | 50% | 0.498 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.7 | -42.7 | 171.7 | -78.4 | 179.7 | 67.5 | 0 | 0 | 112.4 | V336 R344 | V336-M340 HydrophobicContact CG1-CG 4.43Å; V336-M340 HydrophobicContact CG1-SD 3.83Å; V336-M340 WeakPolarHBondContact O-CB 3.32Å; V336-M340 VanDerWaalsContact O-CG 3.24Å; V336-M340 WeakPolarHBondContact O-CG 3.18Å; V336-M340 PolarHBondContact O-N 3.22Å; M340-R344 WeakPolarHBondContact O-CB 3.38Å; M340-R344 PolarHBondContact O-N 2.85Å |
| 341 | L | 90 | Very high | 86.6 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -71.8 | -39.7 | 177.5 | -68.2 | 170.6 | 0 | 0 | 0 | 111.2 | T337 T338 T343 R344 V345 L386 E389 I393 L434 | T337-L341 HydrophobicContact CG2-CD1 4.07Å; T337-L341 HydrophobicContact CG2-CG 4.49Å; T337-L341 WeakPolarHBondContact O-CB 3.25Å; T337-L341 VanDerWaalsContact O-CG 3.26Å; T337-L341 WeakPolarHBondContact O-CG 3.33Å; T337-L341 PolarHBondContact O-N 3.27Å; T338-L341 PolarHBondContact O-N 2.85Å; L341-T343 VanDerWaalsContact C-N 3.31Å; L341-T343 PolarHBondContact O-N 2.98Å; L341-R344 PolarHBondContact O-N 3.09Å; L341-V345 WeakPolarHBondContact O-CB 3.42Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 3.47Å; L341-L386 HydrophobicContact CD2-CD2 3.96Å; L341-E389 HydrophobicContact CD1-CB 3.96Å; L341-E389 HydrophobicContact CD2-CB 3.62Å; L341-E389 HydrophobicContact CD2-CG 4.35Å; L341-E389 WeakPolarHBondContact CD2-OE2 3.43Å; L341-E389 HydrophobicContact CG-CB 4.45Å; L341-I393 HydrophobicContact CD1-CG2 4.08Å; L341-L434 HydrophobicContact CB-CD1 3.62Å; L341-L434 HydrophobicContact CB-CD2 3.75Å; L341-L434 HydrophobicContact CB-CG 4.37Å; L341-L434 HydrophobicContact CD1-CD2 3.85Å; L341-L434 HydrophobicContact CG-CD2 4.46Å |
| 342 | L | 88.2 | Confident | 85.8 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 12% | 0.115 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -43 | 176.8 | -129.9 | 156.8 | 0 | 0 | 0 | 111 | T338 D339 Q346 T433 L434 K437 | T338-L342 WeakPolarHBondContact O-CB 3.18Å; T338-L342 PolarHBondContact O-N 3.5Å; D339-L342 PolarHBondContact O-N 3.44Å; L342-Q346 VanDerWaalsContact O-CG 3.27Å; L342-Q346 WeakPolarHBondContact O-CG 3.31Å; L342-Q346 PolarHBondContact O-N 3.03Å; L342-T433 HydrophobicContact CD1-CG2 4Å; L342-T433 HydrophobicContact CD2-CG2 4.48Å; L342-L434 HydrophobicContact CB-CD1 4.48Å; L342-L434 HydrophobicContact CD1-CB 4.38Å; L342-L434 HydrophobicContact CG-CB 4.48Å; L342-L434 HydrophobicContact CG-CD1 4.47Å; L342-K437 HydrophobicContact CD2-CG 4.01Å |
| 343 | T | 85.3 | Confident | 84.7 | Confident | 55 Ų | 55 | 48.9 Ų | 48.9 | 34% | 0.337 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 173.2 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | D339 L341 V345 Q346 E347 | D339-T343 WeakPolarHBondContact O-CB 3.29Å; D339-T343 PolarHBondContact O-N 3.34Å; D339-T343 PolarHBondContact O-OG1 3.38Å; L341-T343 VanDerWaalsContact C-N 3.31Å; L341-T343 PolarHBondContact O-N 2.98Å; T343-V345 VanDerWaalsContact C-N 3.31Å; T343-V345 PolarHBondContact O-N 2.96Å; T343-Q346 WeakPolarHBondContact O-CB 3.16Å; T343-Q346 PolarHBondContact O-N 3.49Å; T343-E347 WeakPolarHBondContact O-CG 3.38Å; T343-E347 PolarHBondContact O-N 2.96Å |
| 344 | R | 89.5 | Confident | 83.1 | Confident | 50 Ų | 50 | 54 Ų | 54 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -39.6 | -179.6 | -174.9 | 179.1 | -59.2 | 172.2 | 6.1 | 112.7 | M340 L341 E347 Y348 L386 E389 | M340-R344 WeakPolarHBondContact O-CB 3.38Å; M340-R344 PolarHBondContact O-N 2.85Å; L341-R344 PolarHBondContact O-N 3.09Å; R344-E347 PolarHBondContact O-N 3.27Å; R344-Y348 HydrophobicContact CG-CD2 4.44Å; R344-Y348 HydrophobicContact CG-CE1 4.08Å; R344-Y348 HydrophobicContact CG-CE2 3.79Å; R344-Y348 VanDerWaalsContact O-CG 3.31Å; R344-Y348 PolarHBondContact O-N 3.04Å; R344-L386 HydrophobicContact CG-CD2 4.23Å; R344-E389 IonicContact CZ-OE1 2.65Å; R344-E389 IonicContact CZ-OE2 2.86Å; R344-E389 IonicContact NH1-OE1 3.72Å; R344-E389 PolarHBondContact NH1-OE1 2.82Å; R344-E389 IonicContact NH1-OE2 3.75Å; R344-E389 PolarHBondContact NH1-OE2 3.18Å |
| 345 | V | 87.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69 | -41.1 | 176.9 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | L341 T343 E347 Y348 L349 L386 L434 K437 V438 | L341-V345 WeakPolarHBondContact O-CB 3.42Å; L341-V345 WeakPolarHBondContact O-CG2 3.46Å; L341-V345 PolarHBondContact O-N 3.47Å; T343-V345 VanDerWaalsContact C-N 3.31Å; T343-V345 PolarHBondContact O-N 2.96Å; V345-E347 VanDerWaalsContact C-N 3.35Å; V345-Y348 PolarHBondContact O-N 3.33Å; V345-L349 HydrophobicContact CG1-CD1 4.04Å; V345-L349 WeakPolarHBondContact O-CB 3.35Å; V345-L349 WeakPolarHBondContact O-CG 3.46Å; V345-L349 PolarHBondContact O-N 3.19Å; V345-L386 HydrophobicContact CG2-CD1 3.77Å; V345-L386 HydrophobicContact CG2-CD2 3.65Å; V345-L386 HydrophobicContact CG2-CG 4.32Å; V345-L434 HydrophobicContact CG2-CD1 4.36Å; V345-K437 HydrophobicContact CB-CB 4.49Å; V345-K437 VanDerWaalsContact CG1-C 3.47Å; V345-K437 HydrophobicContact CG1-CB 3.83Å; V345-K437 WeakPolarHBondContact CG1-O 3.36Å; V345-V438 HydrophobicContact CG2-CG2 3.82Å |
| 346 | Q | 83.3 | Confident | 78.7 | Confident | 88 Ų | 88 | 62 Ų | 62 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 172.3 | -72.4 | 172.7 | 6 | 0 | 0 | 112 | L342 T343 L349 L350 | L342-Q346 VanDerWaalsContact O-CG 3.27Å; L342-Q346 WeakPolarHBondContact O-CG 3.31Å; L342-Q346 PolarHBondContact O-N 3.03Å; T343-Q346 WeakPolarHBondContact O-CB 3.16Å; T343-Q346 PolarHBondContact O-N 3.49Å; Q346-L349 PolarHBondContact O-N 3.12Å; Q346-L350 WeakPolarHBondContact O-CB 3.11Å; Q346-L350 VanDerWaalsContact O-CG 3.3Å; Q346-L350 WeakPolarHBondContact O-CG 3.4Å; Q346-L350 PolarHBondContact O-N 3.37Å |
| 347 | E | 84.1 | Confident | 76.1 | Confident | 107 Ų | 107 | 66.3 Ų | 66.3 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 174.7 | -74.5 | 174.3 | 167.6 | 0 | 0 | 111.7 | T343 R344 V345 L350 E351 | T343-E347 WeakPolarHBondContact O-CG 3.38Å; T343-E347 PolarHBondContact O-N 2.96Å; R344-E347 PolarHBondContact O-N 3.27Å; V345-E347 VanDerWaalsContact C-N 3.35Å; E347-L350 PolarHBondContact O-N 3.42Å; E347-E351 PolarHBondContact O-N 3.24Å |
| 348 | Y | 86.8 | Confident | 73.2 | Confident | 42 Ų | 42 | 71.1 Ų | 71.1 | 17% | 0.165 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -71.4 | -30.8 | 177.7 | -57.9 | -18.8 | 0 | 0 | 0 | 113.3 | R344 V345 E351 L352 Q382 L386 Y441 | R344-Y348 HydrophobicContact CG-CD2 4.44Å; R344-Y348 HydrophobicContact CG-CE1 4.08Å; R344-Y348 HydrophobicContact CG-CE2 3.79Å; R344-Y348 VanDerWaalsContact O-CG 3.31Å; R344-Y348 PolarHBondContact O-N 3.04Å; V345-Y348 PolarHBondContact O-N 3.33Å; Y348-E351 PolarHBondContact O-N 3.14Å; Y348-L352 PolarHBondContact O-N 2.91Å; Y348-Q382 HydrophobicContact CD2-CB 4.18Å; Y348-Q382 HydrophobicContact CE2-CB 3.8Å; Y348-Q382 HydrophobicContact CE2-CG 3.98Å; Y348-L386 HydrophobicContact CD2-CD1 3.59Å; Y348-L386 HydrophobicContact CE2-CD1 3.68Å; Y348-L386 HydrophobicContact CE2-CG 4.16Å; Y348-Y441 AromaticContact CD2-CE1 3.86Å; Y348-Y441 HydrophobicContact CD2-CE1 3.86Å; Y348-Y441 HydrophobicContact CD2-CE2 4.26Å; Y348-Y441 AromaticContact CD2-CZ 3.63Å; Y348-Y441 HydrophobicContact CG-CE2 4.23Å; Y348-Y441 AromaticContact CG-CZ 3.99Å |
| 349 | L | 80.5 | Confident | 70.4 | Confident | 26 Ų | 26 | 80.8 Ų | 80.8 | 14% | 0.136 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 169.8 | -76.5 | 164.9 | 0 | 0 | 0 | 111.7 | V345 Q346 L352 S353 K437 E440 Y441 A444 | V345-L349 HydrophobicContact CG1-CD1 4.04Å; V345-L349 WeakPolarHBondContact O-CB 3.35Å; V345-L349 WeakPolarHBondContact O-CG 3.46Å; V345-L349 PolarHBondContact O-N 3.19Å; Q346-L349 PolarHBondContact O-N 3.12Å; L349-L352 WeakPolarHBondContact O-CB 3.5Å; L349-L352 PolarHBondContact O-N 3.43Å; L349-S353 PolarHBondContact O-N 3.26Å; L349-K437 HydrophobicContact CD1-CD 4.13Å; L349-E440 HydrophobicContact CD1-CB 4.41Å; L349-E440 HydrophobicContact CD1-CG 4.16Å; L349-E440 WeakPolarHBondContact CD1-OE1 3.47Å; L349-E440 HydrophobicContact CD2-CG 4.11Å; L349-Y441 HydrophobicContact CD2-CD2 4.31Å; L349-Y441 HydrophobicContact CG-CD2 4.28Å; L349-A444 HydrophobicContact CD2-CB 4.14Å |
| 350 | L | 75.1 | Confident | 67.6 | Low | 89 Ų | 89 | 84.2 Ų | 84.2 | 47% | 0.466 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.3 | -32.7 | 173.1 | -73.7 | 163.9 | 0 | 0 | 0 | 112.5 | Q346 E347 L352 S353 R354 | Q346-L350 WeakPolarHBondContact O-CB 3.11Å; Q346-L350 VanDerWaalsContact O-CG 3.3Å; Q346-L350 WeakPolarHBondContact O-CG 3.4Å; Q346-L350 PolarHBondContact O-N 3.37Å; E347-L350 PolarHBondContact O-N 3.42Å; L350-L352 VanDerWaalsContact C-N 3.35Å; L350-S353 PolarHBondContact O-N 3.03Å; L350-S353 PolarHBondContact O-OG 2.98Å; L350-R354 WeakPolarHBondContact O-CB 3.15Å; L350-R354 VanDerWaalsContact O-CG 3.25Å; L350-R354 WeakPolarHBondContact O-CG 3.41Å; L350-R354 PolarHBondContact O-N 2.92Å |
| 351 | E | 75.6 | Confident | 64.7 | Low | 84 Ų | 84 | 89 Ų | 89 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 172.3 | -165.4 | -169.6 | 154.9 | 0 | 0 | 111.5 | E347 Y348 S355 | E347-E351 PolarHBondContact O-N 3.24Å; Y348-E351 PolarHBondContact O-N 3.14Å; E351-S355 PolarHBondContact O-OG 3.43Å; E351-S355 VanDerWaalsContact O-OG 3.13Å |
| 352 | L | 71.7 | Confident | 61.7 | Low | 41 Ų | 41 | 98.1 Ų | 98.1 | 22% | 0.215 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 168.4 | -78.7 | 162.2 | 0 | 0 | 0 | 111.5 | Y348 L349 L350 R354 S355 K379 Y441 A444 L445 | Y348-L352 PolarHBondContact O-N 2.91Å; L349-L352 WeakPolarHBondContact O-CB 3.5Å; L349-L352 PolarHBondContact O-N 3.43Å; L350-L352 VanDerWaalsContact C-N 3.35Å; L352-R354 PolarHBondContact O-N 3.02Å; L352-S355 VanDerWaalsContact O-CB 3.3Å; L352-S355 WeakPolarHBondContact O-CB 3.3Å; L352-S355 PolarHBondContact O-N 3.18Å; L352-S355 PolarHBondContact O-OG 3.37Å; L352-K379 HydrophobicContact CD2-CD 4.35Å; L352-Y441 HydrophobicContact CD1-CD2 3.68Å; L352-Y441 HydrophobicContact CD1-CE2 3.61Å; L352-A444 HydrophobicContact CD1-CB 3.88Å; L352-L445 HydrophobicContact CD1-CD2 3.99Å; L352-L445 HydrophobicContact CD1-CG 4.26Å; L352-L445 HydrophobicContact CD2-CD2 4.05Å; L352-L445 HydrophobicContact CG-CD2 4.48Å |
| 353 | S | 66.2 | Low | 58.8 | Low | 87 Ų | 87 | 103.5 Ų | 103.5 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.6 | -16.8 | -177.6 | 82.1 | 0 | 0 | 0 | 0 | 114.6 | L349 L350 | L349-S353 PolarHBondContact O-N 3.26Å; L350-S353 PolarHBondContact O-N 3.03Å; L350-S353 PolarHBondContact O-OG 2.98Å |
| 354 | R | 57.8 | Low | 56 | Low | 208 Ų | 208 | 104.1 Ų | 104.1 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -6.8 | 173.5 | -72.8 | 171.6 | 179.9 | -179.6 | 1.3 | 113.7 | L350 L352 | L350-R354 WeakPolarHBondContact O-CB 3.15Å; L350-R354 VanDerWaalsContact O-CG 3.25Å; L350-R354 WeakPolarHBondContact O-CG 3.41Å; L350-R354 PolarHBondContact O-N 2.92Å; L352-R354 PolarHBondContact O-N 3.02Å |
| 355 | S | 52.1 | Low | 53.1 | Low | 54 Ų | 54 | 107.8 Ų | 107.8 | 38% | 0.378 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -78 | 132.4 | 170.9 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | E351 L352 | E351-S355 PolarHBondContact O-OG 3.43Å; E351-S355 VanDerWaalsContact O-OG 3.13Å; L352-S355 VanDerWaalsContact O-CB 3.3Å; L352-S355 WeakPolarHBondContact O-CB 3.3Å; L352-S355 PolarHBondContact O-N 3.18Å; L352-S355 PolarHBondContact O-OG 3.37Å |
| 356 | P | 36.7 | Very low | 50.5 | Low | 114 Ų | 114 | 113.6 Ų | 113.6 | 74% | 0.74 | 61% | 0.61 | S | S | * | * | trans | -62.5 | 127.6 | -175.4 | 23.9 | -33.1 | 0 | 0 | 0 | 111.1 | I358 | P356-I358 PolarHBondContact O-N 2.95Š| ||
| 357 | P | 33.1 | Very low | 47.9 | Very low | 128 Ų | 128 | 114.6 Ų | 114.6 | 83% | 0.831 | 63% | 0.627 | S | S | * | * | trans | -75.3 | 113.1 | -169.7 | 28.5 | -34.5 | 0 | 0 | 0 | 111.5 | ||||
| 358 | I | 30.4 | Very low | 45.4 | Very low | 145 Ų | 145 | 115.1 Ų | 115.1 | 74% | 0.744 | 64% | 0.637 | S | S | * | * | trans | -92.8 | 131.8 | 168.6 | -45.6 | -178 | 0 | 0 | 0 | 108.6 | P356 | P356-I358 PolarHBondContact O-N 2.95Š| ||
| 359 | F | 29.3 | Very low | 42.7 | Very low | 202 Ų | 202 | 122.5 Ų | 122.5 | 89% | 0.886 | 67% | 0.673 | S | S | * | * | trans | 97.4 | 137.4 | 176.7 | -66.8 | -75.1 | 0 | 0 | 0 | 118.9 | ||||
| 360 | D | 27.9 | Very low | 40.4 | Very low | 120 Ų | 120 | 124.5 Ų | 124.5 | 64% | 0.642 | 70% | 0.7 | S | S | * | * | trans | -124.4 | 166.6 | -171.1 | 171.6 | 28.5 | 0 | 0 | 0 | 108.1 | ||||
| 361 | R | 27.9 | Very low | 38.4 | Very low | 203 Ų | 203 | 126.1 Ų | 126.1 | 77% | 0.766 | 72% | 0.719 | S | S | * | * | trans | 79.9 | 101 | 165.3 | -44.7 | -165.6 | 179.9 | -177.2 | -0.1 | 119.3 | ||||
| 362 | K | 27.1 | Very low | 36.4 | Very low | 195 Ų | 195 | 127.6 Ų | 127.6 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | 38.8 | 114 | 119.3 | -63.3 | -177.8 | 178.9 | -179.4 | 0 | 118.9 | |||||
| 363 | C | 26.6 | Very low | 34.5 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 92% | 0.919 | 76% | 0.764 | S | S | * | * | trans | 47.7 | 110 | 133 | -52 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 364 | G | 27 | Very low | 33.3 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | 122.2 | 117.2 | 134.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 365 | S | 28.7 | Very low | 32.8 | Very low | 127 Ų | 127 | 127 Ų | 127 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | 63.5 | 155.1 | 162.5 | 50.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 366 | P | 32.6 | Very low | 33 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -128.8 | 137.9 | -162.7 | 37.5 | -19.2 | 0 | 0 | 0 | 116.4 | ||||
| 367 | S | 29.1 | Very low | 34.4 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -160.7 | 138.5 | 156.8 | 50.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 368 | T | 31.3 | Very low | 36.3 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | trans | 48.9 | 108.7 | 148 | 52.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 369 | Q | 30.9 | Very low | 38.4 | Very low | 197 Ų | 197 | 122.3 Ų | 122.3 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | 55.4 | 123.9 | 130.5 | -57.3 | -175.1 | 4.3 | 0 | 0 | 121.3 | ||||
| 370 | G | 31.3 | Very low | 40.6 | Very low | 68 Ų | 68 | 118.4 Ų | 118.4 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | 166 | 87.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 371 | S | 32.5 | Very low | 43.2 | Very low | 123 Ų | 123 | 115.5 Ų | 115.5 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | trans | 67.9 | 158 | 167.1 | -6.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 372 | P | 33.5 | Very low | 45.8 | Very low | 115 Ų | 115 | 107.3 Ų | 107.3 | 75% | 0.747 | 65% | 0.652 | S | S | * | * | trans | -109.1 | 142.8 | -166.9 | 38.3 | -30.5 | 0 | 0 | 0 | 115.7 | ||||
| 373 | P | 33.8 | Very low | 48.6 | Very low | 123 Ų | 123 | 98.3 Ų | 98.3 | 80% | 0.799 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 144.6 | 148.9 | 33.1 | -30.1 | 0 | 0 | 0 | 110.2 | ||
| 374 | V | 39.3 | Very low | 51.3 | Low | 137 Ų | 137 | 96.9 Ų | 96.9 | 83% | 0.83 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128.5 | -173.4 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | N376 | V374-N376 PolarHBondContact O-N 3.49Š|
| 375 | P | 47.1 | Very low | 54.2 | Low | 62 Ų | 62 | 98.8 Ų | 98.8 | 40% | 0.403 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 121 | 172 | 29.6 | -33.1 | 0 | 0 | 0 | 109.6 | D377 R380 | P375-D377 VanDerWaalsContact C-N 3.26Å; P375-D377 PolarHBondContact O-N 3.35Å; P375-R380 VanDerWaalsContact CB-NH1 3.32Å |
| 376 | N | 57.6 | Low | 57.1 | Low | 89 Ų | 89 | 92.9 Ų | 92.9 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | trans | -80.9 | 79.8 | 171.8 | -165.6 | -22 | 0 | 0 | 0 | 108.4 | V374 Q378 K379 R380 | V374-N376 PolarHBondContact O-N 3.49Å; N376-Q378 PolarHBondContact O-N 3.09Å; N376-Q378 VanDerWaalsContact O-N 3.12Å; N376-K379 HydrophobicContact CB-CG 4.32Å; N376-K379 WeakPolarHBondContact O-CA 3.5Å; N376-K379 WeakPolarHBondContact O-CB 3.15Å; N376-K379 PolarHBondContact O-N 2.89Å; N376-R380 PolarHBondContact O-N 2.82Å | ||
| 377 | D | 66 | Low | 59.6 | Low | 92 Ų | 92 | 89.9 Ų | 89.9 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -24 | -171.9 | -69 | -41.9 | 0 | 0 | 0 | 113 | P375 K379 R380 A381 | P375-D377 VanDerWaalsContact C-N 3.26Å; P375-D377 PolarHBondContact O-N 3.35Å; D377-K379 VanDerWaalsContact C-N 3.29Å; D377-K379 PolarHBondContact O-N 3.1Å; D377-R380 WeakPolarHBondContact O-CB 3.48Å; D377-R380 PolarHBondContact O-N 3.38Å; D377-R380 VanDerWaalsContact O-N 3.16Å; D377-R380 IonicContact OD1-CZ 3.87Å; D377-R380 IonicContact OD1-NH1 2.91Å; D377-R380 PolarHBondContact OD1-NH1 3.33Å; D377-A381 PolarHBondContact O-N 3.23Å |
| 378 | Q | 71.5 | Confident | 62.5 | Low | 141 Ų | 141 | 91 Ų | 91 | 66% | 0.659 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.5 | -38.7 | 168.8 | -176.8 | 176.6 | -15.1 | 0 | 0 | 112.3 | N376 Q382 | N376-Q378 PolarHBondContact O-N 3.09Å; N376-Q378 VanDerWaalsContact O-N 3.12Å; Q378-Q382 WeakPolarHBondContact O-CG 3.23Å; Q378-Q382 PolarHBondContact O-N 3.47Å; Q378-Q382 VanDerWaalsContact O-N 3.09Å |
| 379 | K | 75.3 | Confident | 65.3 | Low | 21 Ų | 21 | 87.7 Ų | 87.7 | 9% | 0.091 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -75.9 | -25.5 | 175.5 | -61.2 | -161.1 | 173.1 | -168.3 | 0 | 113.2 | L352 N376 D377 L383 L445 | L352-K379 HydrophobicContact CD2-CD 4.35Å; N376-K379 HydrophobicContact CB-CG 4.32Å; N376-K379 WeakPolarHBondContact O-CA 3.5Å; N376-K379 WeakPolarHBondContact O-CB 3.15Å; N376-K379 PolarHBondContact O-N 2.89Å; D377-K379 VanDerWaalsContact C-N 3.29Å; D377-K379 PolarHBondContact O-N 3.1Å; K379-L383 PolarHBondContact O-N 2.91Å; K379-L445 HydrophobicContact CB-CD1 4.49Å; K379-L445 HydrophobicContact CB-CD2 3.71Å; K379-L445 HydrophobicContact CD-CD2 3.96Å; K379-L445 HydrophobicContact CG-CD2 4.44Å; K379-L445 WeakPolarHBondContact O-CD1 3.43Å |
| 380 | R | 76.4 | Confident | 68.1 | Low | 121 Ų | 121 | 79 Ų | 79 | 46% | 0.457 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.2 | -47.4 | 168.2 | -72.4 | 178.8 | 172.5 | 155.8 | -8.9 | 111.3 | P375 N376 D377 Q382 L383 D384 | P375-R380 VanDerWaalsContact CB-NH1 3.32Å; N376-R380 PolarHBondContact O-N 2.82Å; D377-R380 WeakPolarHBondContact O-CB 3.48Å; D377-R380 PolarHBondContact O-N 3.38Å; D377-R380 VanDerWaalsContact O-N 3.16Å; D377-R380 IonicContact OD1-CZ 3.87Å; D377-R380 IonicContact OD1-NH1 2.91Å; D377-R380 PolarHBondContact OD1-NH1 3.33Å; R380-Q382 PolarHBondContact O-N 3.01Å; R380-L383 WeakPolarHBondContact O-CA 3.49Å; R380-L383 WeakPolarHBondContact O-CB 3.44Å; R380-L383 PolarHBondContact O-N 3.05Å; R380-D384 PolarHBondContact O-N 2.89Å |
| 381 | A | 81.5 | Confident | 70.8 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 49% | 0.488 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.2 | -30.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D377 K385 | D377-A381 PolarHBondContact O-N 3.23Å; A381-K385 WeakPolarHBondContact O-CB 3.02Å; A381-K385 PolarHBondContact O-N 2.75Å |
| 382 | Q | 83.2 | Confident | 73.5 | Confident | 30 Ų | 30 | 77 Ų | 77 | 14% | 0.14 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 168.7 | -77.3 | 172.5 | -27.8 | 0 | 0 | 112.1 | Y348 Q378 R380 L386 Y441 | Y348-Q382 HydrophobicContact CD2-CB 4.18Å; Y348-Q382 HydrophobicContact CE2-CB 3.8Å; Y348-Q382 HydrophobicContact CE2-CG 3.98Å; Q378-Q382 WeakPolarHBondContact O-CG 3.23Å; Q378-Q382 PolarHBondContact O-N 3.47Å; Q378-Q382 VanDerWaalsContact O-N 3.09Å; R380-Q382 PolarHBondContact O-N 3.01Å; Q382-L386 WeakPolarHBondContact O-CG 3.1Å; Q382-L386 PolarHBondContact O-N 2.71Å; Q382-L386 VanDerWaalsContact O-N 3.11Å; Q382-Y441 WeakPolarHBondContact CB-OH 3.5Å; Q382-Y441 PolarHBondContact OE1-OH 3.18Å |
| 383 | L | 84.7 | Confident | 76.2 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.037 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67 | -48 | 178.6 | 178.2 | 64.2 | 0 | 0 | 0 | 112.6 | K379 R380 K385 L386 L387 Y441 E442 L445 L446 | K379-L383 PolarHBondContact O-N 2.91Å; R380-L383 WeakPolarHBondContact O-CA 3.49Å; R380-L383 WeakPolarHBondContact O-CB 3.44Å; R380-L383 PolarHBondContact O-N 3.05Å; L383-K385 PolarHBondContact O-N 3.32Å; L383-L386 WeakPolarHBondContact O-CB 3.37Å; L383-L386 PolarHBondContact O-N 3.11Å; L383-L386 VanDerWaalsContact O-N 3.09Å; L383-L387 HydrophobicContact CD1-CD1 4.34Å; L383-L387 HydrophobicContact CD1-CG 4.39Å; L383-L387 HydrophobicContact CG-CD1 4.14Å; L383-L387 WeakPolarHBondContact O-CG 3.48Å; L383-L387 PolarHBondContact O-N 2.67Å; L383-Y441 HydrophobicContact CB-CE1 4.06Å; L383-Y441 HydrophobicContact CD1-CD1 3.87Å; L383-Y441 HydrophobicContact CD1-CE1 4.23Å; L383-E442 HydrophobicContact CD1-CB 4Å; L383-E442 HydrophobicContact CD2-CB 4.4Å; L383-E442 HydrophobicContact CD2-CG 4.21Å; L383-L445 HydrophobicContact CB-CD1 3.83Å; L383-L445 HydrophobicContact CD2-CD1 4.1Å; L383-L445 HydrophobicContact CG-CD1 4.42Å; L383-L446 HydrophobicContact CD2-CD1 4.05Å; L383-L446 HydrophobicContact CD2-CG 4.28Å |
| 384 | D | 85 | Confident | 78.9 | Confident | 105 Ų | 105 | 67 Ų | 67 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.6 | -40.2 | 179.7 | -64.6 | -36.4 | 0 | 0 | 0 | 111.2 | R380 L387 L388 | R380-D384 PolarHBondContact O-N 2.89Å; D384-L387 PolarHBondContact O-N 2.88Å; D384-L388 PolarHBondContact O-N 2.91Å |
| 385 | K | 87.6 | Confident | 81.3 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 47% | 0.47 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 174.5 | -177.4 | 179.7 | 173.3 | -176.8 | 0 | 112.3 | A381 L383 L387 L388 E389 | A381-K385 WeakPolarHBondContact O-CB 3.02Å; A381-K385 PolarHBondContact O-N 2.75Å; L383-K385 PolarHBondContact O-N 3.32Å; K385-L387 VanDerWaalsContact C-N 3.32Å; K385-L387 PolarHBondContact O-N 2.95Å; K385-L388 PolarHBondContact O-N 3.14Å; K385-E389 WeakPolarHBondContact CE-OE1 3.27Å; K385-E389 HydrophobicContact CG-CG 4.39Å; K385-E389 IonicContact NZ-OE1 3.32Å; K385-E389 WeakPolarHBondContact O-CG 3.23Å; K385-E389 PolarHBondContact O-N 3.44Å |
| 386 | L | 88 | Confident | 83.3 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.6 | -82.5 | 170.1 | 0 | 0 | 0 | 112.2 | L341 R344 V345 Y348 Q382 L383 E389 F390 Y441 | L341-L386 HydrophobicContact CD2-CD2 3.96Å; R344-L386 HydrophobicContact CG-CD2 4.23Å; V345-L386 HydrophobicContact CG2-CD1 3.77Å; V345-L386 HydrophobicContact CG2-CD2 3.65Å; V345-L386 HydrophobicContact CG2-CG 4.32Å; Y348-L386 HydrophobicContact CD2-CD1 3.59Å; Y348-L386 HydrophobicContact CE2-CD1 3.68Å; Y348-L386 HydrophobicContact CE2-CG 4.16Å; Q382-L386 WeakPolarHBondContact O-CG 3.1Å; Q382-L386 PolarHBondContact O-N 2.71Å; Q382-L386 VanDerWaalsContact O-N 3.11Å; L383-L386 WeakPolarHBondContact O-CB 3.37Å; L383-L386 PolarHBondContact O-N 3.11Å; L383-L386 VanDerWaalsContact O-N 3.09Å; L386-E389 PolarHBondContact O-N 3.31Å; L386-F390 WeakPolarHBondContact O-CB 3.35Å; L386-F390 PolarHBondContact O-N 2.96Å; L386-Y441 HydrophobicContact CD1-CD1 3.74Å; L386-Y441 HydrophobicContact CD1-CE1 3.7Å |
| 387 | L | 86.3 | Confident | 84.8 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 176.5 | -70.6 | 167.5 | 0 | 0 | 0 | 111.8 | L383 D384 K385 S391 V438 | L383-L387 HydrophobicContact CD1-CD1 4.34Å; L383-L387 HydrophobicContact CD1-CG 4.39Å; L383-L387 HydrophobicContact CG-CD1 4.14Å; L383-L387 WeakPolarHBondContact O-CG 3.48Å; L383-L387 PolarHBondContact O-N 2.67Å; D384-L387 PolarHBondContact O-N 2.88Å; K385-L387 VanDerWaalsContact C-N 3.32Å; K385-L387 PolarHBondContact O-N 2.95Å; L387-S391 WeakPolarHBondContact O-CB 3.22Å; L387-S391 PolarHBondContact O-N 2.89Å; L387-V438 HydrophobicContact CD2-CG1 3.79Å; L387-V438 HydrophobicContact CG-CG1 4.47Å |
| 388 | L | 88.8 | Confident | 85.7 | Confident | 132 Ų | 132 | 54.9 Ų | 54.9 | 69% | 0.691 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.8 | -46.8 | 175.5 | -171.4 | 73.5 | 0 | 0 | 0 | 112.2 | D384 K385 S391 C392 | D384-L388 PolarHBondContact O-N 2.91Å; K385-L388 PolarHBondContact O-N 3.14Å; L388-S391 PolarHBondContact O-N 2.78Å; L388-C392 PolarHBondContact O-N 2.9Å; L388-C392 VanDerWaalsContact O-N 3.16Å |
| 389 | E | 90.4 | Very high | 86.4 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 178.5 | -68.8 | 173.9 | 137.3 | 0 | 0 | 111.5 | L341 R344 K385 L386 C392 I393 | L341-E389 HydrophobicContact CD1-CB 3.96Å; L341-E389 HydrophobicContact CD2-CB 3.62Å; L341-E389 HydrophobicContact CD2-CG 4.35Å; L341-E389 WeakPolarHBondContact CD2-OE2 3.43Å; L341-E389 HydrophobicContact CG-CB 4.45Å; R344-E389 IonicContact CZ-OE1 2.65Å; R344-E389 IonicContact CZ-OE2 2.86Å; R344-E389 IonicContact NH1-OE1 3.72Å; R344-E389 PolarHBondContact NH1-OE1 2.82Å; R344-E389 IonicContact NH1-OE2 3.75Å; R344-E389 PolarHBondContact NH1-OE2 3.18Å; K385-E389 WeakPolarHBondContact CE-OE1 3.27Å; K385-E389 HydrophobicContact CG-CG 4.39Å; K385-E389 IonicContact NZ-OE1 3.32Å; K385-E389 WeakPolarHBondContact O-CG 3.23Å; K385-E389 PolarHBondContact O-N 3.44Å; L386-E389 PolarHBondContact O-N 3.31Å; E389-C392 PolarHBondContact O-N 3.2Å; E389-I393 PolarHBondContact O-N 3.01Å |
| 390 | F | 91 | Very high | 86.9 | Confident | 13 Ų | 13 | 52.7 Ų | 52.7 | 6% | 0.057 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 172.9 | 169.1 | -105.3 | 0 | 0 | 0 | 112.4 | L386 C392 I393 K394 L434 W435 T455 L459 | L386-F390 WeakPolarHBondContact O-CB 3.35Å; L386-F390 PolarHBondContact O-N 2.96Å; F390-C392 VanDerWaalsContact C-N 3.32Å; F390-C392 PolarHBondContact O-N 3.36Å; F390-I393 WeakPolarHBondContact O-CG2 3.36Å; F390-I393 PolarHBondContact O-N 2.89Å; F390-K394 HydrophobicContact CE1-CD 4.14Å; F390-K394 HydrophobicContact CZ-CB 4.47Å; F390-K394 HydrophobicContact CZ-CD 4.11Å; F390-K394 VanDerWaalsContact O-CB 3.3Å; F390-K394 WeakPolarHBondContact O-CB 3.49Å; F390-K394 PolarHBondContact O-N 3.26Å; F390-L434 HydrophobicContact CD2-CD2 3.82Å; F390-L434 HydrophobicContact CD2-CG 3.91Å; F390-L434 HydrophobicContact CE2-CG 4.47Å; F390-W435 AromaticContact CE1-CD1 3.89Å; F390-W435 HydrophobicContact CE2-CB 3.81Å; F390-W435 HydrophobicContact CZ-CB 3.7Å; F390-W435 AromaticContact CZ-CD1 3.7Å; F390-W435 HydrophobicContact CZ-CG 4.05Å; F390-T455 HydrophobicContact CE1-CG2 3.82Å; F390-T455 HydrophobicContact CZ-CG2 3.64Å; F390-L459 HydrophobicContact CE2-CD1 4.19Å; F390-L459 HydrophobicContact CZ-CD1 3.82Å |
| 391 | S | 86.7 | Confident | 87.3 | Confident | 72 Ų | 72 | 47.3 Ų | 47.3 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 178.4 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | L387 L388 S395 | L387-S391 WeakPolarHBondContact O-CB 3.22Å; L387-S391 PolarHBondContact O-N 2.89Å; L388-S391 PolarHBondContact O-N 2.78Å; S391-S395 PolarHBondContact O-N 2.9Å |
| 392 | C | 89.5 | Confident | 87.2 | Confident | 77 Ų | 77 | 51 Ų | 51 | 52% | 0.52 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.6 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | L388 E389 F390 T396 | L388-C392 PolarHBondContact O-N 2.9Å; L388-C392 VanDerWaalsContact O-N 3.16Å; E389-C392 PolarHBondContact O-N 3.2Å; F390-C392 VanDerWaalsContact C-N 3.32Å; F390-C392 PolarHBondContact O-N 3.36Å; C392-T396 PolarHBondContact O-N 3.33Å; C392-T396 VanDerWaalsContact O-N 3.11Å; C392-T396 PolarHBondContact O-OG1 2.84Å |
| 393 | I | 90.7 | Very high | 86.9 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -78.1 | -34.1 | -179.7 | -155.8 | 62 | 0 | 0 | 0 | 113 | K333 V334 T337 L341 E389 F390 S395 T396 G397 L431 L434 | K333-I393 HydrophobicContact CG-CD1 4.43Å; V334-I393 HydrophobicContact CG2-CD1 4.39Å; T337-I393 VanDerWaalsContact CB-CD1 3.45Å; T337-I393 HydrophobicContact CG2-CB 4.1Å; T337-I393 HydrophobicContact CG2-CD1 3.84Å; T337-I393 HydrophobicContact CG2-CG1 3.97Å; L341-I393 HydrophobicContact CD1-CG2 4.08Å; E389-I393 PolarHBondContact O-N 3.01Å; F390-I393 WeakPolarHBondContact O-CG2 3.36Å; F390-I393 PolarHBondContact O-N 2.89Å; I393-S395 VanDerWaalsContact C-N 3.34Å; I393-S395 PolarHBondContact O-N 3.48Å; I393-T396 HydrophobicContact CD1-CG2 4.49Å; I393-T396 PolarHBondContact O-N 2.95Å; I393-G397 PolarHBondContact O-N 3.05Å; I393-L431 HydrophobicContact CG2-CD2 3.92Å; I393-L434 HydrophobicContact CG2-CD2 4.15Å |
| 394 | K | 89.8 | Confident | 86.3 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.2 | -50 | 168.9 | -177.1 | -174.9 | 178.8 | -166.5 | 0 | 110.7 | F390 G397 L398 T455 E458 L459 | F390-K394 HydrophobicContact CE1-CD 4.14Å; F390-K394 HydrophobicContact CZ-CB 4.47Å; F390-K394 HydrophobicContact CZ-CD 4.11Å; F390-K394 VanDerWaalsContact O-CB 3.3Å; F390-K394 WeakPolarHBondContact O-CB 3.49Å; F390-K394 PolarHBondContact O-N 3.26Å; K394-G397 PolarHBondContact O-N 3.34Å; K394-L398 HydrophobicContact CG-CD1 4.14Å; K394-L398 WeakPolarHBondContact O-CG 3.48Å; K394-L398 PolarHBondContact O-N 3.4Å; K394-T455 HydrophobicContact CD-CG2 4.18Å; K394-T455 PolarHBondContact NZ-OG1 2.88Å; K394-T455 VanDerWaalsContact NZ-OG1 3.13Å; K394-E458 WeakPolarHBondContact CE-OE2 3.47Å; K394-E458 IonicContact NZ-OE1 2.84Å; K394-E458 IonicContact NZ-OE2 3.93Å; K394-E458 PolarHBondContact NZ-OE2 2.88Å; K394-L459 HydrophobicContact CD-CD1 4.5Å; K394-L459 HydrophobicContact CG-CD1 4.48Å; K394-L459 HydrophobicContact CG-CD2 4.47Å |
| 395 | S | 90.2 | Very high | 84.9 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 41% | 0.406 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 112.7 | S391 I393 G397 L398 Q399 | S391-S395 PolarHBondContact O-N 2.9Å; I393-S395 VanDerWaalsContact C-N 3.34Å; I393-S395 PolarHBondContact O-N 3.48Å; S395-G397 VanDerWaalsContact C-N 3.35Å; S395-G397 PolarHBondContact O-N 3.06Å; S395-L398 PolarHBondContact O-N 3.28Å; S395-Q399 WeakPolarHBondContact O-CG 3.01Å; S395-Q399 PolarHBondContact O-N 3.41Å |
| 396 | T | 89.4 | Confident | 83.1 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 177.2 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | K333 V334 C392 I393 L400 | K333-T396 HydrophobicContact CD-CG2 3.88Å; K333-T396 HydrophobicContact CG-CG2 4.38Å; K333-T396 PolarHBondContact NZ-OG1 3.38Å; V334-T396 HydrophobicContact CG2-CG2 3.8Å; C392-T396 PolarHBondContact O-N 3.33Å; C392-T396 VanDerWaalsContact O-N 3.11Å; C392-T396 PolarHBondContact O-OG1 2.84Å; I393-T396 HydrophobicContact CD1-CG2 4.49Å; I393-T396 PolarHBondContact O-N 2.95Å; T396-L400 PolarHBondContact O-N 3.34Å; T396-L400 VanDerWaalsContact O-N 3.15Å |
| 397 | G | 87.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I393 K394 S395 L400 I401 | I393-G397 PolarHBondContact O-N 3.05Å; K394-G397 PolarHBondContact O-N 3.34Å; S395-G397 VanDerWaalsContact C-N 3.35Å; S395-G397 PolarHBondContact O-N 3.06Å; G397-L400 PolarHBondContact O-N 2.84Å; G397-I401 WeakPolarHBondContact O-CG1 3.45Å; G397-I401 PolarHBondContact O-N 2.88Å |
| 398 | L | 86.4 | Confident | 78.1 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 27% | 0.272 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 174.5 | -69.7 | 171.5 | 0 | 0 | 0 | 111.6 | K394 S395 L400 I401 E402 | K394-L398 HydrophobicContact CG-CD1 4.14Å; K394-L398 WeakPolarHBondContact O-CG 3.48Å; K394-L398 PolarHBondContact O-N 3.4Å; S395-L398 PolarHBondContact O-N 3.28Å; L398-L400 PolarHBondContact O-N 2.82Å; L398-I401 CarbonylContact O-C 3.5Å; L398-I401 PolarHBondContact O-N 3.48Å; L398-I401 VanDerWaalsContact O-N 3.09Å; L398-E402 WeakPolarHBondContact O-CG 3.28Å; L398-E402 PolarHBondContact O-N 3.15Å |
| 399 | Q | 85.5 | Confident | 75.3 | Confident | 114 Ų | 114 | 59.3 Ų | 59.3 | 53% | 0.533 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61 | -30.7 | 174.4 | -73.3 | 179.5 | -0.9 | 0 | 0 | 113.3 | S395 K403 | S395-Q399 WeakPolarHBondContact O-CG 3.01Å; S395-Q399 PolarHBondContact O-N 3.41Å; Q399-K403 WeakPolarHBondContact O-CG 3.41Å; Q399-K403 PolarHBondContact O-N 2.95Å |
| 400 | L | 86.4 | Confident | 72.6 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -72.4 | -44.2 | 171.9 | 176.2 | 60.5 | 0 | 0 | 0 | 111.5 | A330 A331 V334 T396 G397 L398 E402 K403 L404 I427 | A330-L400 HydrophobicContact CB-CD1 4.24Å; A331-L400 VanDerWaalsContact CA-CD2 3.43Å; A331-L400 HydrophobicContact CB-CD2 3.76Å; V334-L400 HydrophobicContact CG2-CD2 4.42Å; T396-L400 PolarHBondContact O-N 3.34Å; T396-L400 VanDerWaalsContact O-N 3.15Å; G397-L400 PolarHBondContact O-N 2.84Å; L398-L400 PolarHBondContact O-N 2.82Å; L400-E402 PolarHBondContact O-N 3.26Å; L400-K403 PolarHBondContact O-N 3.19Å; L400-L404 HydrophobicContact CD1-CD1 4.25Å; L400-L404 HydrophobicContact CD1-CG 4.16Å; L400-L404 HydrophobicContact CG-CD1 4.06Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 3.39Å; L400-I427 HydrophobicContact CD2-CD1 3.67Å; L400-I427 HydrophobicContact CG-CD1 4.26Å |
| 401 | I | 83.6 | Confident | 69.7 | Low | 7 Ų | 7 | 60.3 Ų | 60.3 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -21.3 | 174.9 | -69.1 | 166.7 | 0 | 0 | 0 | 112.4 | G397 L398 I424 I427 R428 | G397-I401 WeakPolarHBondContact O-CG1 3.45Å; G397-I401 PolarHBondContact O-N 2.88Å; L398-I401 CarbonylContact O-C 3.5Å; L398-I401 PolarHBondContact O-N 3.48Å; L398-I401 VanDerWaalsContact O-N 3.09Å; I401-I424 HydrophobicContact CD1-CG2 4.37Å; I401-I424 HydrophobicContact CG1-CG1 4.35Å; I401-I424 HydrophobicContact CG1-CG2 4.22Å; I401-I424 HydrophobicContact CG2-CG2 4.04Å; I401-I427 HydrophobicContact CD1-CB 4.24Å; I401-I427 HydrophobicContact CD1-CG2 3.7Å; I401-I427 HydrophobicContact CG1-CG2 4.24Å; I401-R428 HydrophobicContact CD1-CG 3.93Å |
| 402 | E | 80 | Confident | 67 | Low | 137 Ų | 137 | 58 Ų | 58 | 64% | 0.64 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -83.2 | -23.1 | 171.4 | -72.5 | 176.7 | 158.4 | 0 | 0 | 113.8 | L398 L400 | L398-E402 WeakPolarHBondContact O-CG 3.28Å; L398-E402 PolarHBondContact O-N 3.15Å; L400-E402 PolarHBondContact O-N 3.26Å |
| 403 | K | 77.7 | Confident | 64.3 | Low | 139 Ų | 139 | 59.3 Ų | 59.3 | 60% | 0.604 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -93.1 | -24 | 175.8 | -74.2 | -176.7 | 176.4 | -171.4 | 0 | 113.7 | Q399 L400 | Q399-K403 WeakPolarHBondContact O-CG 3.41Å; Q399-K403 PolarHBondContact O-N 2.95Å; L400-K403 PolarHBondContact O-N 3.19Å |
| 404 | L | 71.3 | Confident | 61.5 | Low | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -73.5 | 137.2 | 164.6 | -67.8 | 169.7 | 0 | 0 | 0 | 108.6 | V253 L400 K406 V423 I424 I427 | V253-L404 HydrophobicContact CG1-CD2 4.11Å; V253-L404 HydrophobicContact CG2-CD1 4.36Å; V253-L404 HydrophobicContact CG2-CD2 3.97Å; L400-L404 HydrophobicContact CD1-CD1 4.25Å; L400-L404 HydrophobicContact CD1-CG 4.16Å; L400-L404 HydrophobicContact CG-CD1 4.06Å; L400-L404 HydrophobicContact CG-CG 4.43Å; L400-L404 WeakPolarHBondContact O-CG 3.47Å; L400-L404 PolarHBondContact O-N 3.39Å; L404-K406 PolarHBondContact O-N 3.31Å; L404-V423 HydrophobicContact CD1-CG1 3.68Å; L404-I424 HydrophobicContact CB-CD1 4.2Å; L404-I424 HydrophobicContact CB-CG1 4.32Å; L404-I424 HydrophobicContact CD1-CG1 3.97Å; L404-I427 HydrophobicContact CD1-CD1 4.37Å |
| 405 | P | 56 | Low | 58.8 | Low | 58 Ų | 58 | 68.2 Ų | 68.2 | 38% | 0.377 | 36% | 0.36 | S | S | . | . | trans | -64.3 | 112.8 | 174.3 | 26.6 | -32.8 | 0 | 0 | 0 | 109 | N251 G407 T420 | N251-P405 WeakPolarHBondContact OD1-CD 3.42Å; P405-G407 PolarHBondContact O-N 2.83Å; P405-T420 HydrophobicContact CG-CG2 4.26Å | ||
| 406 | K | 48.9 | Very low | 56.3 | Low | 129 Ų | 129 | 67.6 Ų | 67.6 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | trans | -60.2 | 126.4 | 163.2 | -64.9 | 171.1 | -174.6 | 168 | 0 | 106.4 | L404 L408 | L404-K406 PolarHBondContact O-N 3.31Å; K406-L408 PolarHBondContact O-N 3.18Å | ||
| 407 | G | 37.8 | Very low | 53.9 | Low | 41 Ų | 41 | 68.6 Ų | 68.6 | 42% | 0.423 | 37% | 0.366 | S | S | . | . | trans | -48.2 | 102.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P405 L409 | P405-G407 PolarHBondContact O-N 2.83Å; G407-L409 PolarHBondContact O-N 2.99Å | ||
| 408 | L | 32.6 | Very low | 52 | Low | 126 Ų | 126 | 75.2 Ų | 75.2 | 66% | 0.66 | 40% | 0.397 | S | S | * | . | trans | -66.5 | 116.6 | 161.2 | -104.3 | 165.9 | 0 | 0 | 0 | 106 | K406 S410 E667 | K406-L408 PolarHBondContact O-N 3.18Å; L408-S410 PolarHBondContact O-N 3.48Å; L408-E667 HydrophobicContact CD2-CB 4.4Å | ||
| 409 | L | 29.3 | Very low | 50.3 | Low | 120 Ų | 120 | 74.9 Ų | 74.9 | 63% | 0.628 | 40% | 0.395 | S | S | * | . | trans | -77.7 | 87.9 | -170.8 | -66.3 | 158.9 | 0 | 0 | 0 | 108.5 | G407 K673 | G407-L409 PolarHBondContact O-N 2.99Å; L409-K673 HydrophobicContact CB-CD 4.44Å; L409-K673 WeakPolarHBondContact O-CD 3.34Å; L409-K673 WeakPolarHBondContact O-CE 3.46Å; L409-K673 WeakPolarHBondContact O-CG 3.43Å | ||
| 410 | S | 33.3 | Very low | 48.9 | Very low | 17 Ų | 17 | 69.9 Ų | 69.9 | 12% | 0.119 | 37% | 0.372 | C | S | . | . | trans | -145.4 | 86.5 | 152.2 | 99 | 0 | 0 | 0 | 0 | 112.9 | L408 D412 E667 K676 | L408-S410 PolarHBondContact O-N 3.48Å; S410-D412 PolarHBondContact O-N 3.14Å; S410-E667 WeakPolarHBondContact CB-OE1 3.44Å; S410-E667 PolarHBondContact OG-OE1 2.97Å; S410-K676 PolarHBondContact OG-NZ 2.71Å | ||
| 411 | E | 31.4 | Very low | 47.8 | Very low | 67 Ų | 67 | 74 Ų | 74 | 31% | 0.313 | 39% | 0.394 | S | S | . | . | trans | 12.5 | 80.6 | 135.4 | -74.6 | 160.6 | -159.9 | 0 | 0 | 116.4 | K673 V674 Q677 | E411-K673 IonicContact OE1-NZ 3.96Å; E411-K673 PolarHBondContact OE1-NZ 3.14Å; E411-K673 VanDerWaalsContact OE2-C 3.25Å; E411-K673 WeakPolarHBondContact OE2-CB 3.39Å; E411-K673 IonicContact OE2-NZ 2.72Å; E411-K673 PolarHBondContact OE2-NZ 2.94Å; E411-V674 PolarHBondContact OE2-N 3.33Å; E411-Q677 HydrophobicContact CB-CB 4Å; E411-Q677 HydrophobicContact CB-CG 4.34Å | ||
| 412 | D | 29.5 | Very low | 47.1 | Very low | 24 Ų | 24 | 76.8 Ų | 76.8 | 13% | 0.128 | 41% | 0.407 | C | S | . | . | trans | 178 | 41.4 | 136.5 | -90.3 | -32 | 0 | 0 | 0 | 118.1 | S410 K658 Q677 L680 | S410-D412 PolarHBondContact O-N 3.14Å; D412-K658 PolarHBondContact O-NZ 2.93Å; D412-Q677 WeakPolarHBondContact OD1-CG 3.46Å; D412-Q677 PolarHBondContact OD1-NE2 3.09Å; D412-Q677 WeakPolarHBondContact OD2-CA 3.28Å; D412-L680 HydrophobicContact CB-CD1 4.05Å; D412-L680 WeakPolarHBondContact OD2-CB 3.44Å; D412-L680 WeakPolarHBondContact OD2-CD1 3.28Å | ||
| 413 | I | 32.6 | Very low | 46.8 | Very low | 104 Ų | 104 | 70.4 Ų | 70.4 | 53% | 0.533 | 38% | 0.377 | S | S | . | . | trans | -133.4 | 111.3 | 153.4 | -66.7 | 90.5 | 0 | 0 | 0 | 108.7 | V415 N416 | I413-V415 VanDerWaalsContact C-N 3.34Å; I413-V415 PolarHBondContact O-N 3.47Å; I413-N416 HydrophobicContact CG2-CB 3.93Å | ||
| 414 | I | 31.2 | Very low | 46.9 | Very low | 128 Ų | 128 | 64.4 Ų | 64.4 | 66% | 0.656 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.8 | -171.3 | -73.3 | 175.7 | 0 | 0 | 0 | 114 | ||
| 415 | V | 33.7 | Very low | 47.1 | Very low | 88 Ų | 88 | 69.6 Ų | 69.6 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -54.1 | -178.9 | -177.1 | 0 | 0 | 0 | 0 | 112.7 | I413 Q418 I419 | I413-V415 VanDerWaalsContact C-N 3.34Å; I413-V415 PolarHBondContact O-N 3.47Å; V415-Q418 PolarHBondContact O-N 3.46Å; V415-I419 HydrophobicContact CG1-CD1 3.95Å; V415-I419 PolarHBondContact O-N 3.16Å |
| 416 | N | 37.9 | Very low | 48.3 | Very low | 44 Ų | 44 | 68.2 Ų | 68.2 | 24% | 0.235 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74 | -41.6 | -161.4 | -57.4 | 4 | 0 | 0 | 0 | 113.2 | I413 Q418 I419 T420 | I413-N416 HydrophobicContact CG2-CB 3.93Å; N416-Q418 VanDerWaalsContact C-N 3.31Å; N416-Q418 PolarHBondContact O-N 3.38Å; N416-I419 WeakPolarHBondContact O-CB 3.42Å; N416-I419 PolarHBondContact O-N 2.95Å; N416-T420 PolarHBondContact O-N 3.22Å |
| 417 | G | 38.8 | Very low | 50 | Low | 38 Ų | 38 | 62.1 Ų | 62.1 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -33.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I419 T420 D421 | G417-I419 VanDerWaalsContact C-N 3.27Å; G417-I419 PolarHBondContact O-N 3.21Å; G417-T420 PolarHBondContact O-N 3.23Å; G417-T420 PolarHBondContact O-OG1 3.49Å; G417-D421 PolarHBondContact O-N 2.85Å; G417-D421 VanDerWaalsContact O-N 3.08Å |
| 418 | Q | 48.3 | Very low | 52.4 | Low | 139 Ų | 139 | 63.3 Ų | 63.3 | 65% | 0.65 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.6 | -28.9 | 174 | -65.4 | -169.4 | -1.7 | 0 | 0 | 112.2 | V415 N416 E422 | V415-Q418 PolarHBondContact O-N 3.46Å; N416-Q418 VanDerWaalsContact C-N 3.31Å; N416-Q418 PolarHBondContact O-N 3.38Å; Q418-E422 WeakPolarHBondContact O-CB 3.49Å; Q418-E422 PolarHBondContact O-N 2.82Å; Q418-E422 VanDerWaalsContact O-N 3.11Å |
| 419 | I | 49.8 | Very low | 54.8 | Low | 44 Ų | 44 | 60.1 Ų | 60.1 | 23% | 0.226 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.7 | -46.5 | 177.2 | -65.9 | 168.6 | 0 | 0 | 0 | 110.1 | V415 N416 G417 E422 V423 | V415-I419 HydrophobicContact CG1-CD1 3.95Å; V415-I419 PolarHBondContact O-N 3.16Å; N416-I419 WeakPolarHBondContact O-CB 3.42Å; N416-I419 PolarHBondContact O-N 2.95Å; G417-I419 VanDerWaalsContact C-N 3.27Å; G417-I419 PolarHBondContact O-N 3.21Å; I419-E422 PolarHBondContact O-N 3.19Å; I419-V423 HydrophobicContact CG2-CG2 4.41Å; I419-V423 WeakPolarHBondContact O-CB 3.45Å; I419-V423 VanDerWaalsContact O-CG2 3.23Å; I419-V423 WeakPolarHBondContact O-CG2 3.41Å; I419-V423 PolarHBondContact O-N 2.86Å |
| 420 | T | 57.8 | Low | 57.5 | Low | 10 Ų | 10 | 56.8 Ų | 56.8 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 178.3 | 46.1 | 0 | 0 | 0 | 0 | 112.6 | N251 P405 N416 G417 E422 V423 I424 | N251-T420 HydrophobicContact CB-CG2 3.58Å; P405-T420 HydrophobicContact CG-CG2 4.26Å; N416-T420 PolarHBondContact O-N 3.22Å; G417-T420 PolarHBondContact O-N 3.23Å; G417-T420 PolarHBondContact O-OG1 3.49Å; T420-E422 PolarHBondContact O-N 2.97Å; T420-V423 PolarHBondContact O-N 3.48Å; T420-I424 WeakPolarHBondContact O-CB 3.03Å; T420-I424 VanDerWaalsContact O-CG1 3.29Å; T420-I424 WeakPolarHBondContact O-CG1 3.33Å; T420-I424 PolarHBondContact O-N 3.16Å |
| 421 | D | 63.2 | Low | 60.2 | Low | 88 Ų | 88 | 56 Ų | 56 | 47% | 0.471 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 178 | -87.3 | 1.1 | 0 | 0 | 0 | 111.7 | G417 I424 R425 | G417-D421 PolarHBondContact O-N 2.85Å; G417-D421 VanDerWaalsContact O-N 3.08Å; D421-I424 PolarHBondContact O-N 3.46Å; D421-R425 WeakPolarHBondContact O-CB 3.14Å; D421-R425 PolarHBondContact O-N 3.32Å |
| 422 | E | 67.4 | Low | 62.9 | Low | 67 Ų | 67 | 55.7 Ų | 55.7 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71 | -34.7 | 176.8 | -168.2 | 60.2 | -156.1 | 0 | 0 | 112.1 | Q418 I419 T420 R425 V426 | Q418-E422 WeakPolarHBondContact O-CB 3.49Å; Q418-E422 PolarHBondContact O-N 2.82Å; Q418-E422 VanDerWaalsContact O-N 3.11Å; I419-E422 PolarHBondContact O-N 3.19Å; T420-E422 PolarHBondContact O-N 2.97Å; E422-R425 PolarHBondContact O-N 3.19Å; E422-R425 WeakPolarHBondContact OE2-CD 3.33Å; E422-R425 IonicContact OE2-NH1 3.81Å; E422-R425 PolarHBondContact OE2-NH1 3.1Å; E422-V426 HydrophobicContact CG-CG2 4.38Å; E422-V426 WeakPolarHBondContact O-CB 2.97Å; E422-V426 VanDerWaalsContact O-CG2 3.26Å; E422-V426 WeakPolarHBondContact O-CG2 3.33Å; E422-V426 PolarHBondContact O-N 3.06Å |
| 423 | V | 74.5 | Confident | 65.5 | Low | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -50.4 | 170.4 | 167 | 0 | 0 | 0 | 0 | 110.6 | V253 K255 L404 I419 T420 R425 V426 I427 | V253-V423 HydrophobicContact CG2-CG1 3.69Å; K255-V423 HydrophobicContact CB-CG2 4.45Å; K255-V423 HydrophobicContact CG-CG2 3.74Å; L404-V423 HydrophobicContact CD1-CG1 3.68Å; I419-V423 HydrophobicContact CG2-CG2 4.41Å; I419-V423 WeakPolarHBondContact O-CB 3.45Å; I419-V423 VanDerWaalsContact O-CG2 3.23Å; I419-V423 WeakPolarHBondContact O-CG2 3.41Å; I419-V423 PolarHBondContact O-N 2.86Å; T420-V423 PolarHBondContact O-N 3.48Å; V423-R425 VanDerWaalsContact C-N 3.31Å; V423-R425 PolarHBondContact O-N 3.3Å; V423-V426 PolarHBondContact O-N 3.13Å; V423-I427 HydrophobicContact CG1-CD1 3.75Å; V423-I427 WeakPolarHBondContact O-CD1 3.26Å; V423-I427 VanDerWaalsContact O-CG1 3.29Å; V423-I427 WeakPolarHBondContact O-CG1 3.23Å; V423-I427 PolarHBondContact O-N 2.62Å |
| 424 | I | 79.6 | Confident | 68.3 | Low | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 177.6 | -69.3 | 167.3 | 0 | 0 | 0 | 110.2 | I401 L404 T420 D421 I427 R428 | I401-I424 HydrophobicContact CD1-CG2 4.37Å; I401-I424 HydrophobicContact CG1-CG1 4.35Å; I401-I424 HydrophobicContact CG1-CG2 4.22Å; I401-I424 HydrophobicContact CG2-CG2 4.04Å; L404-I424 HydrophobicContact CB-CD1 4.2Å; L404-I424 HydrophobicContact CB-CG1 4.32Å; L404-I424 HydrophobicContact CD1-CG1 3.97Å; T420-I424 WeakPolarHBondContact O-CB 3.03Å; T420-I424 VanDerWaalsContact O-CG1 3.29Å; T420-I424 WeakPolarHBondContact O-CG1 3.33Å; T420-I424 PolarHBondContact O-N 3.16Å; D421-I424 PolarHBondContact O-N 3.46Å; I424-I427 PolarHBondContact O-N 2.65Å; I424-R428 WeakPolarHBondContact O-CG 3.3Å; I424-R428 PolarHBondContact O-N 2.86Å |
| 425 | R | 76.2 | Confident | 71.1 | Confident | 115 Ų | 115 | 47.7 Ų | 47.7 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 177.4 | -170.4 | -169.3 | -166.4 | 170.1 | 4.7 | 112.1 | D421 E422 V423 R428 L429 | D421-R425 WeakPolarHBondContact O-CB 3.14Å; D421-R425 PolarHBondContact O-N 3.32Å; E422-R425 PolarHBondContact O-N 3.19Å; E422-R425 WeakPolarHBondContact OE2-CD 3.33Å; E422-R425 IonicContact OE2-NH1 3.81Å; E422-R425 PolarHBondContact OE2-NH1 3.1Å; V423-R425 VanDerWaalsContact C-N 3.31Å; V423-R425 PolarHBondContact O-N 3.3Å; R425-R428 PolarHBondContact O-N 2.61Å; R425-L429 HydrophobicContact CG-CD1 3.91Å; R425-L429 HydrophobicContact CG-CG 4.38Å; R425-L429 VanDerWaalsContact O-CB 3.3Å; R425-L429 WeakPolarHBondContact O-CB 3.34Å; R425-L429 VanDerWaalsContact O-CG 3.25Å; R425-L429 WeakPolarHBondContact O-CG 3.45Å; R425-L429 PolarHBondContact O-N 3.24Å |
| 426 | V | 81.2 | Confident | 73.5 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.9 | -38.4 | 179.4 | 174 | 0 | 0 | 0 | 0 | 111.2 | K255 Y335 E422 V423 L429 K430 | K255-V426 WeakPolarHBondContact O-CG1 3.21Å; Y335-V426 HydrophobicContact CE1-CG1 4.15Å; E422-V426 HydrophobicContact CG-CG2 4.38Å; E422-V426 WeakPolarHBondContact O-CB 2.97Å; E422-V426 VanDerWaalsContact O-CG2 3.26Å; E422-V426 WeakPolarHBondContact O-CG2 3.33Å; E422-V426 PolarHBondContact O-N 3.06Å; V423-V426 PolarHBondContact O-N 3.13Å; V426-L429 PolarHBondContact O-N 2.84Å; V426-K430 HydrophobicContact CG1-CG 4.46Å; V426-K430 WeakPolarHBondContact O-CB 3.16Å; V426-K430 WeakPolarHBondContact O-CG 3.47Å; V426-K430 PolarHBondContact O-N 3.32Å |
| 427 | I | 85.1 | Confident | 75.7 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -50.7 | 173.5 | -68.6 | 162.2 | 0 | 0 | 0 | 110.5 | V334 Y335 L400 I401 L404 V423 I424 K430 L431 | V334-I427 HydrophobicContact CG1-CG1 4.36Å; V334-I427 HydrophobicContact CG1-CG2 3.89Å; Y335-I427 HydrophobicContact CE1-CG1 3.88Å; L400-I427 HydrophobicContact CD2-CD1 3.67Å; L400-I427 HydrophobicContact CG-CD1 4.26Å; I401-I427 HydrophobicContact CD1-CB 4.24Å; I401-I427 HydrophobicContact CD1-CG2 3.7Å; I401-I427 HydrophobicContact CG1-CG2 4.24Å; L404-I427 HydrophobicContact CD1-CD1 4.37Å; V423-I427 HydrophobicContact CG1-CD1 3.75Å; V423-I427 WeakPolarHBondContact O-CD1 3.26Å; V423-I427 VanDerWaalsContact O-CG1 3.29Å; V423-I427 WeakPolarHBondContact O-CG1 3.23Å; V423-I427 PolarHBondContact O-N 2.62Å; I424-I427 PolarHBondContact O-N 2.65Å; I427-K430 PolarHBondContact O-N 2.94Å; I427-L431 HydrophobicContact CG2-CD1 3.89Å; I427-L431 WeakPolarHBondContact O-CB 3.28Å; I427-L431 WeakPolarHBondContact O-CG 3.26Å; I427-L431 PolarHBondContact O-N 3.42Å |
| 428 | R | 86.6 | Confident | 78 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 25% | 0.249 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -49.5 | 176.4 | -73.6 | -175.1 | -176.5 | -171.4 | 10.8 | 111.8 | I401 I424 R425 K430 L431 Y432 D462 | I401-R428 HydrophobicContact CD1-CG 3.93Å; I424-R428 WeakPolarHBondContact O-CG 3.3Å; I424-R428 PolarHBondContact O-N 2.86Å; R425-R428 PolarHBondContact O-N 2.61Å; R428-K430 PolarHBondContact O-N 3.39Å; R428-L431 PolarHBondContact O-N 2.92Å; R428-Y432 VanDerWaalsContact O-CB 3.27Å; R428-Y432 WeakPolarHBondContact O-CB 3.44Å; R428-Y432 PolarHBondContact O-N 3.06Å; R428-D462 IonicContact CZ-OD2 2.79Å; R428-D462 IonicContact NH1-OD2 3.44Å; R428-D462 PolarHBondContact NH1-OD2 2.88Å; R428-D462 IonicContact NH2-OD2 3.49Å |
| 429 | L | 83.2 | Confident | 79.7 | Confident | 58 Ų | 58 | 41.1 Ų | 41.1 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 179.4 | -78 | 171.8 | 0 | 0 | 0 | 112.4 | R425 V426 Y432 T433 P461 | R425-L429 HydrophobicContact CG-CD1 3.91Å; R425-L429 HydrophobicContact CG-CG 4.38Å; R425-L429 VanDerWaalsContact O-CB 3.3Å; R425-L429 WeakPolarHBondContact O-CB 3.34Å; R425-L429 VanDerWaalsContact O-CG 3.25Å; R425-L429 WeakPolarHBondContact O-CG 3.45Å; R425-L429 PolarHBondContact O-N 3.24Å; V426-L429 PolarHBondContact O-N 2.84Å; L429-Y432 PolarHBondContact O-N 3.04Å; L429-T433 WeakPolarHBondContact O-CB 3.47Å; L429-T433 PolarHBondContact O-N 3.07Å; L429-T433 PolarHBondContact O-OG1 3.42Å; L429-P461 HydrophobicContact CD2-CB 3.8Å; L429-P461 HydrophobicContact CD2-CG 3.82Å |
| 430 | K | 86 | Confident | 81.3 | Confident | 51 Ų | 51 | 43.3 Ų | 43.3 | 22% | 0.222 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -45.1 | 177.2 | -78.1 | -160 | 173.7 | -149 | 0 | 112.1 | Y335 T338 D339 V426 I427 R428 Y432 T433 L434 | Y335-K430 HydrophobicContact CD1-CD 4.1Å; T338-K430 HydrophobicContact CG2-CB 3.91Å; T338-K430 WeakPolarHBondContact CG2-O 3.23Å; D339-K430 IonicContact OD1-NZ 3.89Å; D339-K430 PolarHBondContact OD1-NZ 2.88Å; D339-K430 IonicContact OD2-NZ 2.67Å; D339-K430 PolarHBondContact OD2-NZ 3.23Å; V426-K430 HydrophobicContact CG1-CG 4.46Å; V426-K430 WeakPolarHBondContact O-CB 3.16Å; V426-K430 WeakPolarHBondContact O-CG 3.47Å; V426-K430 PolarHBondContact O-N 3.32Å; I427-K430 PolarHBondContact O-N 2.94Å; R428-K430 PolarHBondContact O-N 3.39Å; K430-Y432 VanDerWaalsContact C-N 3.34Å; K430-Y432 PolarHBondContact O-N 3.26Å; K430-T433 PolarHBondContact O-N 3.35Å; K430-L434 PolarHBondContact O-N 2.91Å |
| 431 | L | 89.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 176.2 | -70.7 | 173 | 0 | 0 | 0 | 112 | T338 I393 I427 R428 L434 W435 L459 | T338-L431 HydrophobicContact CG2-CD2 4.47Å; I393-L431 HydrophobicContact CG2-CD2 3.92Å; I427-L431 HydrophobicContact CG2-CD1 3.89Å; I427-L431 WeakPolarHBondContact O-CB 3.28Å; I427-L431 WeakPolarHBondContact O-CG 3.26Å; I427-L431 PolarHBondContact O-N 3.42Å; R428-L431 PolarHBondContact O-N 2.92Å; L431-L434 PolarHBondContact O-N 2.58Å; L431-W435 WeakPolarHBondContact O-CB 3.45Å; L431-W435 PolarHBondContact O-N 2.92Å; L431-L459 HydrophobicContact CB-CD1 4.03Å; L431-L459 HydrophobicContact CB-CD2 3.79Å; L431-L459 HydrophobicContact CB-CG 4.46Å; L431-L459 HydrophobicContact CD1-CD2 4.03Å |
| 432 | Y | 88.1 | Confident | 83.5 | Confident | 60 Ų | 60 | 39.7 Ų | 39.7 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 175.2 | -172.4 | -109.9 | 0 | 0 | 0 | 112.3 | R428 L429 K430 W435 L436 L459 A460 | R428-Y432 VanDerWaalsContact O-CB 3.27Å; R428-Y432 WeakPolarHBondContact O-CB 3.44Å; R428-Y432 PolarHBondContact O-N 3.06Å; L429-Y432 PolarHBondContact O-N 3.04Å; K430-Y432 VanDerWaalsContact C-N 3.34Å; K430-Y432 PolarHBondContact O-N 3.26Å; Y432-W435 HydrophobicContact CD2-CE3 4.03Å; Y432-W435 HydrophobicContact CD2-CZ3 4.46Å; Y432-W435 AromaticContact CE2-CE3 3.83Å; Y432-W435 HydrophobicContact CE2-CE3 3.83Å; Y432-W435 AromaticContact CE2-CZ3 3.81Å; Y432-W435 HydrophobicContact CE2-CZ3 3.81Å; Y432-W435 PolarHBondContact O-N 3.19Å; Y432-L436 HydrophobicContact CD1-CD1 3.9Å; Y432-L436 HydrophobicContact CD1-CG 4.38Å; Y432-L436 HydrophobicContact CE1-CD1 3.58Å; Y432-L436 HydrophobicContact CE1-CG 4.12Å; Y432-L436 WeakPolarHBondContact O-CG 3.41Å; Y432-L436 PolarHBondContact O-N 3.5Å; Y432-L459 WeakPolarHBondContact CB-O 3.32Å; Y432-L459 HydrophobicContact CD2-CB 3.95Å; Y432-L459 HydrophobicContact CG-CB 4.49Å; Y432-A460 HydrophobicContact CE2-CB 4.19Å |
| 433 | T | 85.4 | Confident | 84 | Confident | 62 Ų | 62 | 42.7 Ų | 42.7 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.7 | -39 | 176.4 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | L342 L429 K430 K437 | L342-T433 HydrophobicContact CD1-CG2 4Å; L342-T433 HydrophobicContact CD2-CG2 4.48Å; L429-T433 WeakPolarHBondContact O-CB 3.47Å; L429-T433 PolarHBondContact O-N 3.07Å; L429-T433 PolarHBondContact O-OG1 3.42Å; K430-T433 PolarHBondContact O-N 3.35Å; T433-K437 PolarHBondContact O-N 2.94Å |
| 434 | L | 90 | Very high | 83.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 171.4 | 173.9 | 59.4 | 0 | 0 | 0 | 111.4 | T338 L341 L342 V345 F390 I393 K430 L431 L436 K437 V438 | T338-L434 HydrophobicContact CG2-CB 3.9Å; T338-L434 HydrophobicContact CG2-CD2 3.91Å; L341-L434 HydrophobicContact CB-CD1 3.62Å; L341-L434 HydrophobicContact CB-CD2 3.75Å; L341-L434 HydrophobicContact CB-CG 4.37Å; L341-L434 HydrophobicContact CD1-CD2 3.85Å; L341-L434 HydrophobicContact CG-CD2 4.46Å; L342-L434 HydrophobicContact CB-CD1 4.48Å; L342-L434 HydrophobicContact CD1-CB 4.38Å; L342-L434 HydrophobicContact CG-CB 4.48Å; L342-L434 HydrophobicContact CG-CD1 4.47Å; V345-L434 HydrophobicContact CG2-CD1 4.36Å; F390-L434 HydrophobicContact CD2-CD2 3.82Å; F390-L434 HydrophobicContact CD2-CG 3.91Å; F390-L434 HydrophobicContact CE2-CG 4.47Å; I393-L434 HydrophobicContact CG2-CD2 4.15Å; K430-L434 PolarHBondContact O-N 2.91Å; L431-L434 PolarHBondContact O-N 2.58Å; L434-L436 PolarHBondContact O-N 3.21Å; L434-K437 PolarHBondContact O-N 2.92Å; L434-V438 HydrophobicContact CD1-CG2 3.93Å; L434-V438 HydrophobicContact CG-CG2 4.38Å; L434-V438 WeakPolarHBondContact O-CG2 3.28Å; L434-V438 PolarHBondContact O-N 3.37Å |
| 435 | W | 89.9 | Confident | 83.7 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 10% | 0.095 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58 | -46.3 | 176.5 | 175.5 | 77.6 | 0 | 0 | 0 | 112 | F390 L431 Y432 K437 V438 R439 D452 T455 A456 L459 | F390-W435 AromaticContact CE1-CD1 3.89Å; F390-W435 HydrophobicContact CE2-CB 3.81Å; F390-W435 HydrophobicContact CZ-CB 3.7Å; F390-W435 AromaticContact CZ-CD1 3.7Å; F390-W435 HydrophobicContact CZ-CG 4.05Å; L431-W435 WeakPolarHBondContact O-CB 3.45Å; L431-W435 PolarHBondContact O-N 2.92Å; Y432-W435 HydrophobicContact CD2-CE3 4.03Å; Y432-W435 HydrophobicContact CD2-CZ3 4.46Å; Y432-W435 AromaticContact CE2-CE3 3.83Å; Y432-W435 HydrophobicContact CE2-CE3 3.83Å; Y432-W435 AromaticContact CE2-CZ3 3.81Å; Y432-W435 HydrophobicContact CE2-CZ3 3.81Å; Y432-W435 PolarHBondContact O-N 3.19Å; W435-K437 VanDerWaalsContact C-N 3.33Å; W435-K437 PolarHBondContact O-N 3.25Å; W435-V438 PolarHBondContact O-N 2.93Å; W435-R439 HydrophobicContact CD2-CG 4.18Å; W435-R439 HydrophobicContact CH2-CG 4.5Å; W435-R439 HydrophobicContact CZ2-CG 3.95Å; W435-R439 WeakPolarHBondContact O-CB 3.45Å; W435-R439 VanDerWaalsContact O-CG 3.3Å; W435-R439 WeakPolarHBondContact O-CG 3.45Å; W435-R439 PolarHBondContact O-N 2.93Å; W435-D452 HydrophobicContact CZ2-CB 4.25Å; W435-D452 WeakPolarHBondContact CZ2-O 3.34Å; W435-D452 PolarHBondContact NE1-OD2 2.86Å; W435-T455 HydrophobicContact CD2-CG2 4.38Å; W435-T455 HydrophobicContact CG-CG2 3.85Å; W435-A456 HydrophobicContact CH2-CB 3.49Å; W435-A456 VanDerWaalsContact CH2-CB 3.49Å; W435-A456 HydrophobicContact CZ2-CB 3.93Å; W435-A456 HydrophobicContact CZ3-CB 3.95Å; W435-L459 HydrophobicContact CB-CD1 4.3Å |
| 436 | L | 84 | Confident | 83.4 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 40% | 0.398 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.7 | -43.1 | 174.7 | -76.3 | 176 | 0 | 0 | 0 | 112.1 | Y432 L434 R439 E440 | Y432-L436 HydrophobicContact CD1-CD1 3.9Å; Y432-L436 HydrophobicContact CD1-CG 4.38Å; Y432-L436 HydrophobicContact CE1-CD1 3.58Å; Y432-L436 HydrophobicContact CE1-CG 4.12Å; Y432-L436 WeakPolarHBondContact O-CG 3.41Å; Y432-L436 PolarHBondContact O-N 3.5Å; L434-L436 PolarHBondContact O-N 3.21Å; L436-R439 PolarHBondContact O-N 2.7Å; L436-E440 WeakPolarHBondContact O-CB 3.39Å; L436-E440 PolarHBondContact O-N 2.67Å |
| 437 | K | 85.4 | Confident | 82.2 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.7 | -38.1 | 177.7 | -77.1 | -64 | -178.1 | -164.1 | 0 | 112.9 | L342 V345 L349 T433 L434 W435 R439 E440 Y441 | L342-K437 HydrophobicContact CD2-CG 4.01Å; V345-K437 HydrophobicContact CB-CB 4.49Å; V345-K437 VanDerWaalsContact CG1-C 3.47Å; V345-K437 HydrophobicContact CG1-CB 3.83Å; V345-K437 WeakPolarHBondContact CG1-O 3.36Å; L349-K437 HydrophobicContact CD1-CD 4.13Å; T433-K437 PolarHBondContact O-N 2.94Å; L434-K437 PolarHBondContact O-N 2.92Å; W435-K437 VanDerWaalsContact C-N 3.33Å; W435-K437 PolarHBondContact O-N 3.25Å; K437-R439 VanDerWaalsContact C-N 3.3Å; K437-R439 PolarHBondContact O-N 2.72Å; K437-E440 WeakPolarHBondContact CD-OE2 3.44Å; K437-E440 WeakPolarHBondContact CE-OE2 3.35Å; K437-E440 IonicContact NZ-OE1 2.69Å; K437-E440 PolarHBondContact NZ-OE1 3.26Å; K437-E440 IonicContact NZ-OE2 3.13Å; K437-E440 PolarHBondContact NZ-OE2 2.61Å; K437-E440 WeakPolarHBondContact O-CB 3.35Å; K437-E440 PolarHBondContact O-N 3.09Å; K437-Y441 PolarHBondContact O-N 3.34Å |
| 438 | V | 87.2 | Confident | 80.8 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 172.5 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | V345 L387 L434 W435 Y441 E442 | V345-V438 HydrophobicContact CG2-CG2 3.82Å; L387-V438 HydrophobicContact CD2-CG1 3.79Å; L387-V438 HydrophobicContact CG-CG1 4.47Å; L434-V438 HydrophobicContact CD1-CG2 3.93Å; L434-V438 HydrophobicContact CG-CG2 4.38Å; L434-V438 WeakPolarHBondContact O-CG2 3.28Å; L434-V438 PolarHBondContact O-N 3.37Å; W435-V438 PolarHBondContact O-N 2.93Å; V438-Y441 PolarHBondContact O-N 2.84Å; V438-E442 WeakPolarHBondContact O-CB 3.37Å; V438-E442 PolarHBondContact O-N 3.27Å |
| 439 | R | 83.8 | Confident | 79 | Confident | 40 Ų | 40 | 58 Ų | 58 | 15% | 0.151 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 173.3 | -72.1 | -79.2 | 164.3 | -148.6 | -22.4 | 112.9 | W435 L436 K437 E442 Y443 S450 D452 | W435-R439 HydrophobicContact CD2-CG 4.18Å; W435-R439 HydrophobicContact CH2-CG 4.5Å; W435-R439 HydrophobicContact CZ2-CG 3.95Å; W435-R439 WeakPolarHBondContact O-CB 3.45Å; W435-R439 VanDerWaalsContact O-CG 3.3Å; W435-R439 WeakPolarHBondContact O-CG 3.45Å; W435-R439 PolarHBondContact O-N 2.93Å; L436-R439 PolarHBondContact O-N 2.7Å; K437-R439 VanDerWaalsContact C-N 3.3Å; K437-R439 PolarHBondContact O-N 2.72Å; R439-E442 IonicContact CZ-OE1 2.75Å; R439-E442 IonicContact CZ-OE2 2.65Å; R439-E442 IonicContact NE-OE2 2.68Å; R439-E442 IonicContact NH1-OE1 3.69Å; R439-E442 PolarHBondContact NH1-OE1 2.78Å; R439-E442 IonicContact NH1-OE2 3.61Å; R439-E442 PolarHBondContact NH1-OE2 3.3Å; R439-E442 IonicContact NH2-OE2 2.64Å; R439-E442 PolarHBondContact O-N 2.79Å; R439-Y443 VanDerWaalsContact O-CB 3.24Å; R439-Y443 WeakPolarHBondContact O-CB 3.48Å; R439-Y443 PolarHBondContact O-N 2.66Å; R439-S450 PolarHBondContact NH1-O 3.12Å; R439-D452 IonicContact CZ-OD2 2.65Å; R439-D452 IonicContact NE-OD2 2.63Å; R439-D452 IonicContact NH2-OD2 3.07Å; R439-D452 PolarHBondContact NH2-OD2 2.85Å |
| 440 | E | 82 | Confident | 77.7 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 42% | 0.416 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 174.1 | -171.3 | 177.7 | 129.2 | 0 | 0 | 111.6 | L349 L436 K437 A444 | L349-E440 HydrophobicContact CD1-CB 4.41Å; L349-E440 HydrophobicContact CD1-CG 4.16Å; L349-E440 WeakPolarHBondContact CD1-OE1 3.47Å; L349-E440 HydrophobicContact CD2-CG 4.11Å; L436-E440 WeakPolarHBondContact O-CB 3.39Å; L436-E440 PolarHBondContact O-N 2.67Å; K437-E440 WeakPolarHBondContact CD-OE2 3.44Å; K437-E440 WeakPolarHBondContact CE-OE2 3.35Å; K437-E440 IonicContact NZ-OE1 2.69Å; K437-E440 PolarHBondContact NZ-OE1 3.26Å; K437-E440 IonicContact NZ-OE2 3.13Å; K437-E440 PolarHBondContact NZ-OE2 2.61Å; K437-E440 WeakPolarHBondContact O-CB 3.35Å; K437-E440 PolarHBondContact O-N 3.09Å; E440-A444 VanDerWaalsContact O-CB 3.29Å; E440-A444 WeakPolarHBondContact O-CB 3.43Å; E440-A444 PolarHBondContact O-N 2.83Å |
| 441 | Y | 84.9 | Confident | 76 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.5 | -42.1 | 175.6 | 179.7 | -116.2 | 0 | 0 | 0 | 112.9 | Y348 L349 L352 Q382 L383 L386 K437 V438 Y443 A444 L445 | Y348-Y441 AromaticContact CD2-CE1 3.86Å; Y348-Y441 HydrophobicContact CD2-CE1 3.86Å; Y348-Y441 HydrophobicContact CD2-CE2 4.26Å; Y348-Y441 AromaticContact CD2-CZ 3.63Å; Y348-Y441 HydrophobicContact CG-CE2 4.23Å; Y348-Y441 AromaticContact CG-CZ 3.99Å; L349-Y441 HydrophobicContact CD2-CD2 4.31Å; L349-Y441 HydrophobicContact CG-CD2 4.28Å; L352-Y441 HydrophobicContact CD1-CD2 3.68Å; L352-Y441 HydrophobicContact CD1-CE2 3.61Å; Q382-Y441 WeakPolarHBondContact CB-OH 3.5Å; Q382-Y441 PolarHBondContact OE1-OH 3.18Å; L383-Y441 HydrophobicContact CB-CE1 4.06Å; L383-Y441 HydrophobicContact CD1-CD1 3.87Å; L383-Y441 HydrophobicContact CD1-CE1 4.23Å; L386-Y441 HydrophobicContact CD1-CD1 3.74Å; L386-Y441 HydrophobicContact CD1-CE1 3.7Å; K437-Y441 PolarHBondContact O-N 3.34Å; V438-Y441 PolarHBondContact O-N 2.84Å; Y441-Y443 VanDerWaalsContact C-N 3.33Å; Y441-Y443 PolarHBondContact O-N 3.18Å; Y441-A444 PolarHBondContact O-N 2.86Å; Y441-L445 HydrophobicContact CD1-CD1 4.03Å; Y441-L445 HydrophobicContact CD2-CD1 4.39Å; Y441-L445 HydrophobicContact CD2-CG 4.28Å; Y441-L445 HydrophobicContact CE1-CD1 3.48Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.48Å; Y441-L445 HydrophobicContact CE1-CG 4.36Å; Y441-L445 HydrophobicContact CE2-CD1 3.88Å; Y441-L445 HydrophobicContact CE2-CD2 4.2Å; Y441-L445 HydrophobicContact CE2-CG 3.92Å; Y441-L445 HydrophobicContact CG-CD1 4.46Å; Y441-L445 VanDerWaalsContact CZ-CD1 3.42Å; Y441-L445 WeakPolarHBondContact O-CB 3.39Å; Y441-L445 WeakPolarHBondContact O-CG 3.2Å; Y441-L445 PolarHBondContact O-N 3.24Å |
| 442 | E | 82.9 | Confident | 74.5 | Confident | 21 Ų | 21 | 63.6 Ų | 63.6 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.5 | -46.3 | 171.2 | -177 | -176.5 | 159.9 | 0 | 0 | 111.2 | L383 V438 R439 L445 L446 S450 | L383-E442 HydrophobicContact CD1-CB 4Å; L383-E442 HydrophobicContact CD2-CB 4.4Å; L383-E442 HydrophobicContact CD2-CG 4.21Å; V438-E442 WeakPolarHBondContact O-CB 3.37Å; V438-E442 PolarHBondContact O-N 3.27Å; R439-E442 IonicContact CZ-OE1 2.75Å; R439-E442 IonicContact CZ-OE2 2.65Å; R439-E442 IonicContact NE-OE2 2.68Å; R439-E442 IonicContact NH1-OE1 3.69Å; R439-E442 PolarHBondContact NH1-OE1 2.78Å; R439-E442 IonicContact NH1-OE2 3.61Å; R439-E442 PolarHBondContact NH1-OE2 3.3Å; R439-E442 IonicContact NH2-OE2 2.64Å; R439-E442 PolarHBondContact O-N 2.79Å; E442-L445 PolarHBondContact O-N 3.3Å; E442-L446 HydrophobicContact CG-CD1 3.84Å; E442-L446 VanDerWaalsContact O-CB 3.29Å; E442-L446 WeakPolarHBondContact O-CB 3.45Å; E442-L446 WeakPolarHBondContact O-CG 3.33Å; E442-L446 PolarHBondContact O-N 2.92Å; E442-S450 WeakPolarHBondContact OE1-CB 3.2Å |
| 443 | Y | 77.5 | Confident | 73.1 | Confident | 130 Ų | 130 | 66 Ų | 66 | 51% | 0.51 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 176.8 | -176.8 | -100.9 | 0 | 0 | 0 | 112.1 | R439 Y441 L445 G447 N449 | R439-Y443 VanDerWaalsContact O-CB 3.24Å; R439-Y443 WeakPolarHBondContact O-CB 3.48Å; R439-Y443 PolarHBondContact O-N 2.66Å; Y441-Y443 VanDerWaalsContact C-N 3.33Å; Y441-Y443 PolarHBondContact O-N 3.18Å; Y443-L445 VanDerWaalsContact C-N 3.3Å; Y443-L445 PolarHBondContact O-N 2.8Å; Y443-G447 WeakPolarHBondContact O-CA 3.41Å; Y443-G447 PolarHBondContact O-N 3.16Å; Y443-N449 HydrophobicContact CD2-CB 3.89Å; Y443-N449 HydrophobicContact CE2-CB 3.92Å |
| 444 | A | 73.5 | Confident | 72.2 | Confident | 53 Ų | 53 | 67.5 Ų | 67.5 | 44% | 0.438 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.8 | -25.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L349 L352 E440 Y441 | L349-A444 HydrophobicContact CD2-CB 4.14Å; L352-A444 HydrophobicContact CD1-CB 3.88Å; E440-A444 VanDerWaalsContact O-CB 3.29Å; E440-A444 WeakPolarHBondContact O-CB 3.43Å; E440-A444 PolarHBondContact O-N 2.83Å; Y441-A444 PolarHBondContact O-N 2.86Å |
| 445 | L | 74.3 | Confident | 71.2 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 23% | 0.23 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -86.6 | -43.1 | 174.2 | -75.4 | -178.8 | 0 | 0 | 0 | 114 | L352 K379 L383 Y441 E442 Y443 | L352-L445 HydrophobicContact CD1-CD2 3.99Å; L352-L445 HydrophobicContact CD1-CG 4.26Å; L352-L445 HydrophobicContact CD2-CD2 4.05Å; L352-L445 HydrophobicContact CG-CD2 4.48Å; K379-L445 HydrophobicContact CB-CD1 4.49Å; K379-L445 HydrophobicContact CB-CD2 3.71Å; K379-L445 HydrophobicContact CD-CD2 3.96Å; K379-L445 HydrophobicContact CG-CD2 4.44Å; K379-L445 WeakPolarHBondContact O-CD1 3.43Å; L383-L445 HydrophobicContact CB-CD1 3.83Å; L383-L445 HydrophobicContact CD2-CD1 4.1Å; L383-L445 HydrophobicContact CG-CD1 4.42Å; Y441-L445 HydrophobicContact CD1-CD1 4.03Å; Y441-L445 HydrophobicContact CD2-CD1 4.39Å; Y441-L445 HydrophobicContact CD2-CG 4.28Å; Y441-L445 HydrophobicContact CE1-CD1 3.48Å; Y441-L445 VanDerWaalsContact CE1-CD1 3.48Å; Y441-L445 HydrophobicContact CE1-CG 4.36Å; Y441-L445 HydrophobicContact CE2-CD1 3.88Å; Y441-L445 HydrophobicContact CE2-CD2 4.2Å; Y441-L445 HydrophobicContact CE2-CG 3.92Å; Y441-L445 HydrophobicContact CG-CD1 4.46Å; Y441-L445 VanDerWaalsContact CZ-CD1 3.42Å; Y441-L445 WeakPolarHBondContact O-CB 3.39Å; Y441-L445 WeakPolarHBondContact O-CG 3.2Å; Y441-L445 PolarHBondContact O-N 3.24Å; E442-L445 PolarHBondContact O-N 3.3Å; Y443-L445 VanDerWaalsContact C-N 3.3Å; Y443-L445 PolarHBondContact O-N 2.8Å |
| 446 | L | 71.4 | Confident | 70 | Confident | 75 Ų | 75 | 68 Ų | 68 | 39% | 0.393 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -100.6 | -12.7 | -168.2 | -57 | -177.1 | 0 | 0 | 0 | 113.3 | L383 E442 R448 | L383-L446 HydrophobicContact CD2-CD1 4.05Å; L383-L446 HydrophobicContact CD2-CG 4.28Å; E442-L446 HydrophobicContact CG-CD1 3.84Å; E442-L446 VanDerWaalsContact O-CB 3.29Å; E442-L446 WeakPolarHBondContact O-CB 3.45Å; E442-L446 WeakPolarHBondContact O-CG 3.33Å; E442-L446 PolarHBondContact O-N 2.92Å; L446-R448 WeakPolarHBondContact O-CG 3.44Å; L446-R448 PolarHBondContact O-N 2.89Å |
| 447 | G | 55.2 | Low | 69.3 | Low | 63 Ų | 63 | 69.1 Ų | 69.1 | 65% | 0.649 | 38% | 0.378 | S | S | * | . | S | Bend | trans | 62.1 | 20.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y443 | Y443-G447 WeakPolarHBondContact O-CA 3.41Å; Y443-G447 PolarHBondContact O-N 3.16Å |
| 448 | R | 54.8 | Low | 68.7 | Low | 196 Ų | 196 | 70.8 Ų | 70.8 | 74% | 0.74 | 39% | 0.386 | S | S | * | . | trans | -136.6 | 127.6 | -171.3 | -70.7 | 176.2 | -176.2 | -159 | -0.2 | 109.6 | L446 S450 | L446-R448 WeakPolarHBondContact O-CG 3.44Å; L446-R448 PolarHBondContact O-N 2.89Å; R448-S450 PolarHBondContact O-N 3.1Å | ||
| 449 | N | 50.6 | Low | 68 | Low | 118 Ų | 118 | 70.7 Ų | 70.7 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | trans | -89.6 | 103 | 175.4 | -158.9 | 2.6 | 0 | 0 | 0 | 109.3 | Y443 | Y443-N449 HydrophobicContact CD2-CB 3.89Å; Y443-N449 HydrophobicContact CE2-CB 3.92Å | ||
| 450 | S | 54.8 | Low | 66.9 | Low | 62 Ų | 62 | 70.3 Ų | 70.3 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | trans | -88.3 | 117.5 | 178.8 | 178.3 | 0 | 0 | 0 | 0 | 110 | R439 E442 R448 D452 | R439-S450 PolarHBondContact NH1-O 3.12Å; E442-S450 WeakPolarHBondContact OE1-CB 3.2Å; R448-S450 PolarHBondContact O-N 3.1Å; S450-D452 PolarHBondContact O-N 2.89Å | ||
| 451 | L | 49.9 | Very low | 65.3 | Low | 134 Ų | 134 | 67.6 Ų | 67.6 | 70% | 0.702 | 38% | 0.381 | S | S | * | . | trans | -79 | 82.8 | -178 | -79.9 | 86.5 | 0 | 0 | 0 | 112.1 | N453 | L451-N453 VanDerWaalsContact C-N 3.28Å; L451-N453 PolarHBondContact O-N 2.86Å; L451-N453 VanDerWaalsContact O-N 3.12Å | ||
| 452 | D | 59.8 | Low | 63.3 | Low | 30 Ų | 30 | 74 Ų | 74 | 16% | 0.16 | 42% | 0.415 | C | S | . | . | trans | -80.8 | 71.9 | 166.6 | 171.5 | 16.8 | 0 | 0 | 0 | 110.6 | W435 R439 S450 T454 T455 A456 | W435-D452 HydrophobicContact CZ2-CB 4.25Å; W435-D452 WeakPolarHBondContact CZ2-O 3.34Å; W435-D452 PolarHBondContact NE1-OD2 2.86Å; R439-D452 IonicContact CZ-OD2 2.65Å; R439-D452 IonicContact NE-OD2 2.63Å; R439-D452 IonicContact NH2-OD2 3.07Å; R439-D452 PolarHBondContact NH2-OD2 2.85Å; S450-D452 PolarHBondContact O-N 2.89Å; D452-T454 PolarHBondContact O-N 2.87Å; D452-T454 PolarHBondContact OD1-OG1 2.85Å; D452-T455 WeakPolarHBondContact OD1-CB 3.41Å; D452-T455 PolarHBondContact OD1-N 2.71Å; D452-T455 VanDerWaalsContact OD1-N 3.07Å; D452-T455 PolarHBondContact OD1-OG1 2.93Å; D452-T455 WeakPolarHBondContact OD2-CB 3.14Å; D452-T455 PolarHBondContact OD2-OG1 2.8Å; D452-A456 PolarHBondContact O-N 2.87Å | ||
| 453 | N | 57.1 | Low | 60.9 | Low | 111 Ų | 111 | 82.8 Ų | 82.8 | 59% | 0.594 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.2 | -22.5 | -178 | -67.9 | -9.9 | 0 | 0 | 0 | 112.9 | L451 S457 | L451-N453 VanDerWaalsContact C-N 3.28Å; L451-N453 PolarHBondContact O-N 2.86Å; L451-N453 VanDerWaalsContact O-N 3.12Å; N453-S457 WeakPolarHBondContact O-CB 3.19Å; N453-S457 PolarHBondContact O-N 2.87Å |
| 454 | T | 67.7 | Low | 58.5 | Low | 93 Ų | 93 | 87.8 Ų | 87.8 | 57% | 0.571 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -72.5 | -50.4 | -179.1 | 50 | 0 | 0 | 0 | 0 | 111.1 | D452 A456 S457 E458 | D452-T454 PolarHBondContact O-N 2.87Å; D452-T454 PolarHBondContact OD1-OG1 2.85Å; T454-A456 VanDerWaalsContact C-N 3.27Å; T454-A456 PolarHBondContact O-N 2.88Å; T454-S457 PolarHBondContact O-N 3.25Å; T454-S457 VanDerWaalsContact O-N 3.11Å; T454-E458 WeakPolarHBondContact O-CG 3.43Å; T454-E458 PolarHBondContact O-N 2.86Å |
| 455 | T | 69.2 | Low | 56.2 | Low | 13 Ų | 13 | 90.3 Ų | 90.3 | 8% | 0.08 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -67.8 | -30.7 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | F390 K394 W435 D452 L459 | F390-T455 HydrophobicContact CE1-CG2 3.82Å; F390-T455 HydrophobicContact CZ-CG2 3.64Å; K394-T455 HydrophobicContact CD-CG2 4.18Å; K394-T455 PolarHBondContact NZ-OG1 2.88Å; K394-T455 VanDerWaalsContact NZ-OG1 3.13Å; W435-T455 HydrophobicContact CD2-CG2 4.38Å; W435-T455 HydrophobicContact CG-CG2 3.85Å; D452-T455 WeakPolarHBondContact OD1-CB 3.41Å; D452-T455 PolarHBondContact OD1-N 2.71Å; D452-T455 VanDerWaalsContact OD1-N 3.07Å; D452-T455 PolarHBondContact OD1-OG1 2.93Å; D452-T455 WeakPolarHBondContact OD2-CB 3.14Å; D452-T455 PolarHBondContact OD2-OG1 2.8Å; T455-L459 HydrophobicContact CG2-CD1 3.77Å; T455-L459 HydrophobicContact CG2-CG 4.45Å; T455-L459 PolarHBondContact O-N 2.81Å |
| 456 | A | 64.4 | Low | 53.9 | Low | 22 Ų | 22 | 94.4 Ų | 94.4 | 18% | 0.182 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -57.6 | -51.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W435 D452 T454 E458 L459 A460 | W435-A456 HydrophobicContact CH2-CB 3.49Å; W435-A456 VanDerWaalsContact CH2-CB 3.49Å; W435-A456 HydrophobicContact CZ2-CB 3.93Å; W435-A456 HydrophobicContact CZ3-CB 3.95Å; D452-A456 PolarHBondContact O-N 2.87Å; T454-A456 VanDerWaalsContact C-N 3.27Å; T454-A456 PolarHBondContact O-N 2.88Å; A456-E458 PolarHBondContact O-N 2.67Å; A456-L459 PolarHBondContact O-N 2.84Å; A456-A460 WeakPolarHBondContact O-CB 3.41Å; A456-A460 PolarHBondContact O-N 2.95Å |
| 457 | S | 68.4 | Low | 51.7 | Low | 101 Ų | 101 | 102 Ų | 102 | 71% | 0.706 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.3 | -28 | -177.3 | -168.3 | 0 | 0 | 0 | 0 | 114.4 | N453 T454 | N453-S457 WeakPolarHBondContact O-CB 3.19Å; N453-S457 PolarHBondContact O-N 2.87Å; T454-S457 PolarHBondContact O-N 3.25Å; T454-S457 VanDerWaalsContact O-N 3.11Å |
| 458 | E | 73.5 | Confident | 50.2 | Low | 88 Ų | 88 | 105.5 Ų | 105.5 | 41% | 0.411 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -78.6 | -22.6 | 178.8 | -73.8 | 168.3 | -142.5 | 0 | 0 | 113.4 | K394 T454 A456 | K394-E458 WeakPolarHBondContact CE-OE2 3.47Å; K394-E458 IonicContact NZ-OE1 2.84Å; K394-E458 IonicContact NZ-OE2 3.93Å; K394-E458 PolarHBondContact NZ-OE2 2.88Å; T454-E458 WeakPolarHBondContact O-CG 3.43Å; T454-E458 PolarHBondContact O-N 2.86Å; A456-E458 PolarHBondContact O-N 2.67Å |
| 459 | L | 73.4 | Confident | 48.8 | Very low | 1 Ų | 1 | 103.8 Ų | 103.8 | 1% | 0.005 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -116.7 | -15.1 | -173.2 | -62.9 | 179.2 | 0 | 0 | 0 | 114.1 | F390 K394 L431 Y432 W435 T455 A456 | F390-L459 HydrophobicContact CE2-CD1 4.19Å; F390-L459 HydrophobicContact CZ-CD1 3.82Å; K394-L459 HydrophobicContact CD-CD1 4.5Å; K394-L459 HydrophobicContact CG-CD1 4.48Å; K394-L459 HydrophobicContact CG-CD2 4.47Å; L431-L459 HydrophobicContact CB-CD1 4.03Å; L431-L459 HydrophobicContact CB-CD2 3.79Å; L431-L459 HydrophobicContact CB-CG 4.46Å; L431-L459 HydrophobicContact CD1-CD2 4.03Å; Y432-L459 WeakPolarHBondContact CB-O 3.32Å; Y432-L459 HydrophobicContact CD2-CB 3.95Å; Y432-L459 HydrophobicContact CG-CB 4.49Å; W435-L459 HydrophobicContact CB-CD1 4.3Å; T455-L459 HydrophobicContact CG2-CD1 3.77Å; T455-L459 HydrophobicContact CG2-CG 4.45Å; T455-L459 PolarHBondContact O-N 2.81Å; A456-L459 PolarHBondContact O-N 2.84Å |
| 460 | A | 58.9 | Low | 47.6 | Very low | 32 Ų | 32 | 101.6 Ų | 101.6 | 26% | 0.264 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -56.7 | 142 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y432 A456 | Y432-A460 HydrophobicContact CE2-CB 4.19Å; A456-A460 WeakPolarHBondContact O-CB 3.41Å; A456-A460 PolarHBondContact O-N 2.95Å |
| 461 | P | 49.2 | Very low | 46.2 | Very low | 31 Ų | 31 | 107.2 Ų | 107.2 | 20% | 0.201 | 55% | 0.553 | C | S | . | * | trans | -71.6 | 130.9 | 171.5 | 28 | -32.6 | 0 | 0 | 0 | 111.1 | L429 W463 | L429-P461 HydrophobicContact CD2-CB 3.8Å; L429-P461 HydrophobicContact CD2-CG 3.82Å; P461-W463 VanDerWaalsContact C-N 3.29Å; P461-W463 PolarHBondContact O-N 2.8Å | ||
| 462 | D | 42.1 | Very low | 45.1 | Very low | 135 Ų | 135 | 105.6 Ų | 105.6 | 72% | 0.722 | 55% | 0.553 | S | S | * | * | trans | -70.6 | 74 | -179.9 | -73.7 | -52.4 | 0 | 0 | 0 | 112.7 | R428 R464 | R428-D462 IonicContact CZ-OD2 2.79Å; R428-D462 IonicContact NH1-OD2 3.44Å; R428-D462 PolarHBondContact NH1-OD2 2.88Å; R428-D462 IonicContact NH2-OD2 3.49Å; D462-R464 PolarHBondContact O-N 2.72Å | ||
| 463 | W | 32.6 | Very low | 43.4 | Very low | 206 Ų | 206 | 108.9 Ų | 108.9 | 78% | 0.78 | 58% | 0.578 | S | S | * | * | trans | -74.8 | 112.2 | 167.8 | -70.5 | 88.8 | 0 | 0 | 0 | 110 | P461 S465 | P461-W463 VanDerWaalsContact C-N 3.29Å; P461-W463 PolarHBondContact O-N 2.8Å; W463-S465 PolarHBondContact O-N 2.64Å | ||
| 464 | R | 27.9 | Very low | 41.9 | Very low | 235 Ų | 235 | 111.1 Ų | 111.1 | 89% | 0.887 | 59% | 0.59 | S | S | * | * | trans | -66.6 | 97 | 176.9 | -72.9 | -168.5 | 178.3 | -154.6 | 2.1 | 112.2 | D462 | D462-R464 PolarHBondContact O-N 2.72Š| ||
| 465 | S | 25.6 | Very low | 39.9 | Very low | 106 Ų | 106 | 111 Ų | 111 | 74% | 0.741 | 59% | 0.593 | S | S | * | * | trans | 53.6 | 103 | 140.2 | -53.4 | 0 | 0 | 0 | 0 | 119.3 | W463 | W463-S465 PolarHBondContact O-N 2.64Š| ||
| 466 | P | 24.8 | Very low | 37.7 | Very low | 130 Ų | 130 | 116.1 Ų | 116.1 | 84% | 0.844 | 62% | 0.624 | S | S | * | * | trans | -80.3 | 141.1 | 162 | 32.8 | -33.1 | 0 | 0 | 0 | 113 | ||||
| 467 | R | 25.3 | Very low | 35.9 | Very low | 235 Ų | 235 | 122.4 Ų | 122.4 | 89% | 0.887 | 65% | 0.652 | S | S | * | * | trans | -130 | 141.7 | 152.7 | -75.3 | -176.6 | 178.3 | -174.9 | 0.6 | 104 | ||||
| 468 | I | 24.9 | Very low | 33.8 | Very low | 137 Ų | 137 | 126.8 Ų | 126.8 | 70% | 0.703 | 65% | 0.653 | S | S | * | * | cis | -164.9 | 160.2 | 24.9 | -129.8 | 161.6 | 0 | 0 | 0 | 108.5 | ||||
| 469 | L | 25 | Very low | 31.5 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 83% | 0.832 | 67% | 0.672 | S | S | * | * | trans | 63.3 | 160.8 | 176.6 | -60.6 | 156.9 | 0 | 0 | 0 | 116.6 | ||||
| 470 | S | 24.7 | Very low | 29.2 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 50% | 0.503 | 71% | 0.714 | S | S | . | * | 162.7 | 133.9 | -51.1 | 57.2 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 471 | H | 26.4 | Very low | 27.6 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | 65.8 | 151 | 177.1 | -47.7 | -75.3 | 0 | 0 | 0 | 115 | ||||
| 472 | S | 25.7 | Very low | 26.7 | Very low | 99 Ų | 99 | 145.5 Ų | 145.5 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | cis | -167.2 | 149.5 | -20.4 | 49.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 473 | S | 24.9 | Very low | 26 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 54.7 | 117.4 | 147.2 | -54.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 474 | N | 24.6 | Very low | 25.7 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | 64.9 | 165.3 | 146.4 | -59.1 | -19.7 | 0 | 0 | 0 | 117.3 | ||||
| 475 | S | 25.3 | Very low | 25.7 | Very low | 91 Ų | 91 | 140 Ų | 140 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -160.6 | 175.6 | -34 | 57 | 0 | 0 | 0 | 0 | 109 | ||||
| 476 | T | 24.7 | Very low | 25.8 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | 57.9 | 104.1 | 152.7 | 44 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 477 | M | 25.1 | Very low | 25.9 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | 70.1 | 129.3 | 116.6 | -133.6 | -161.3 | -165.2 | 0 | 0 | 121.6 | |||||
| 478 | R | 25.2 | Very low | 25.9 | Very low | 192 Ų | 192 | 136.2 Ų | 136.2 | 73% | 0.725 | 75% | 0.752 | S | S | * | * | trans | 97.2 | 118.1 | 148.1 | -57.1 | -173.8 | -175.2 | -176.1 | 1.3 | 121.1 | ||||
| 479 | R | 25.7 | Very low | 26 | Very low | 217 Ų | 217 | 134.7 Ų | 134.7 | 82% | 0.819 | 75% | 0.753 | S | S | * | * | 75.3 | 122.7 | 126.5 | -74.7 | -173.2 | -179.6 | -175.4 | -0.3 | 121.9 | |||||
| 480 | V | 24.1 | Very low | 26.5 | Very low | 146 Ų | 146 | 132 Ų | 132 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | 71.4 | 127.7 | 128.2 | 178.7 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 481 | G | 26.1 | Very low | 26.5 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | 156.2 | 96.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 482 | S | 30.2 | Very low | 26.5 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -86.9 | 155.6 | 166 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 483 | L | 25.8 | Very low | 26.4 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | -157 | 103.4 | 151.4 | -106.6 | 136 | 0 | 0 | 0 | 113.9 | ||||
| 484 | F | 27.2 | Very low | 26.3 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 69% | 0.689 | 77% | 0.766 | S | S | * | * | trans | 56.2 | 110.8 | 136.4 | -72.9 | -94.6 | 0 | 0 | 0 | 123.6 | ||||
| 485 | D | 27.7 | Very low | 26.5 | Very low | 143 Ų | 143 | 134.2 Ų | 134.2 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | 66.4 | 154.4 | 114.2 | -57.5 | 9.3 | 0 | 0 | 0 | 123.4 | |||||
| 486 | G | 28 | Very low | 26.9 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | 171.3 | 21.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 487 | D | 28 | Very low | 26.9 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 41 | 109.7 | 157.7 | -61 | -22.7 | 0 | 0 | 0 | 125.9 | ||||
| 488 | F | 24.8 | Very low | 26.9 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | 8.5 | 119 | 128.5 | -71.2 | -89 | 0 | 0 | 0 | 124.6 | A1209 | F488-A1209 HydrophobicContact CE1-CB 4.49Š| |||
| 489 | S | 26 | Very low | 26.9 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | 84 | -176.7 | 116.8 | 92.6 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 490 | P | 36.8 | Very low | 27.1 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | trans | -133.2 | -160.2 | -131.1 | 39.5 | -15.5 | 0 | 0 | 0 | 116.2 | ||||
| 491 | V | 24.9 | Very low | 27.4 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 134.9 | 169.6 | 156.6 | 174.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 492 | T | 24.6 | Very low | 27.5 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | -114.1 | 163.2 | -148.2 | 52.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 493 | M | 24.4 | Very low | 27.3 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | trans | 134.2 | 134.5 | 131.8 | -74.6 | -121.5 | 83.1 | 0 | 0 | 118.2 | ||||
| 494 | V | 24 | Very low | 27.4 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | trans | 78.4 | 135.2 | 149.5 | 172.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 495 | S | 27.7 | Very low | 27.4 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -94.6 | -170.5 | 175.7 | -30 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 496 | P | 33.6 | Very low | 27.3 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | cis | -134.8 | -177.8 | -9.8 | 42.3 | -25.1 | 0 | 0 | 0 | 115.2 | ||||
| 497 | Q | 24.7 | Very low | 27.3 | Very low | 181 Ų | 181 | 138.8 Ų | 138.8 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | 64.4 | 136.7 | 152.3 | -79.2 | -179.8 | -7.4 | 0 | 0 | 122.9 | ||||
| 498 | M | 25.2 | Very low | 27.3 | Very low | 159 Ų | 159 | 136.3 Ų | 136.3 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | trans | 73.2 | 101 | 147.7 | -61 | -94.8 | 63.6 | 0 | 0 | 122.5 | ||||
| 499 | S | 26.2 | Very low | 28.2 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | 61.2 | 114.2 | 131.9 | 61.5 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 500 | A | 29.6 | Very low | 28.9 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | 63.2 | 114 | 128.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 501 | H | 30.6 | Very low | 28.8 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | -168.3 | 153.1 | 104.7 | -111.4 | -98.3 | 0 | 0 | 0 | 112.4 | |||||
| 502 | E | 27.1 | Very low | 29.1 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 58% | 0.579 | 74% | 0.739 | S | S | * | * | trans | 3.5 | 150.9 | 148.1 | -62.8 | 179.8 | 119.6 | 0 | 0 | 121 | ||||
| 503 | R | 25.9 | Very low | 29.2 | Very low | 200 Ų | 200 | 136.1 Ų | 136.1 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | cis | -164.6 | 169.2 | 6.5 | -118.4 | 174.6 | -144.9 | -168.9 | 11.6 | 109.6 | ||||
| 504 | N | 28.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | 69.2 | 120.4 | 174.3 | -52.6 | -13.4 | 0 | 0 | 0 | 114.7 | ||||
| 505 | N | 28.2 | Very low | 29.7 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | cis | -129.7 | 160.8 | 4.8 | -92.9 | -24.5 | 0 | 0 | 0 | 114.1 | ||||
| 506 | R | 24.9 | Very low | 29.7 | Very low | 207 Ų | 207 | 135.5 Ų | 135.5 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | -51.9 | 159.7 | -172.7 | -81.8 | 179.2 | 178 | -168.9 | -0.8 | 116 | ||||
| 507 | P | 27.8 | Very low | 29.6 | Very low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | -132.8 | -162.4 | -125.9 | 38.3 | -18.7 | 0 | 0 | 0 | 114.1 | |||||
| 508 | S | 27.6 | Very low | 30.1 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | trans | 62.4 | 118.1 | 144.5 | 64.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 509 | N | 43.8 | Very low | 30.3 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | cis | 57.2 | 151.6 | 36.9 | -140.1 | 38.4 | 0 | 0 | 0 | 111.9 | ||||
| 510 | P | 41.9 | Very low | 30.5 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 63% | 0.63 | 73% | 0.727 | S | S | * | * | cis | -121.6 | -81.6 | 0.5 | 31.1 | -9.9 | 0 | 0 | 0 | 112.6 | ||||
| 511 | L | 35.1 | Very low | 30.5 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | -53.8 | 148.6 | 160.6 | -70.4 | 81.8 | 0 | 0 | 0 | 110.2 | ||||
| 512 | A | 30.1 | Very low | 30.2 | Very low | 74 Ų | 74 | 134 Ų | 134 | 61% | 0.612 | 73% | 0.727 | S | S | * | * | cis | -166.4 | -178.2 | -10.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 513 | N | 27.9 | Very low | 30.5 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 72% | 0.723 | S | S | * | * | trans | 74.4 | 132.6 | 163.6 | -56 | -3.9 | 0 | 0 | 0 | 119.4 | ||||
| 514 | E | 30.9 | Very low | 30.5 | Very low | 153 Ų | 153 | 128 Ų | 128 | 72% | 0.715 | 72% | 0.719 | S | S | * | * | -104 | 168.1 | 113.7 | -97.2 | -142.4 | 69.4 | 0 | 0 | 107.1 | C516 | E514-C516 WeakPolarHBondContact OE1-CB 3.4Å; E514-C516 PolarHBondContact OE1-SG 2.73Å | |||
| 515 | L | 26.4 | Very low | 30.8 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | cis | -70.6 | 167.9 | 9.5 | -63.9 | 159.9 | 0 | 0 | 0 | 113.1 | ||||
| 516 | C | 29.1 | Very low | 31.9 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 55% | 0.547 | 71% | 0.712 | S | S | . | * | cis | 69.1 | 144.1 | 37.2 | -101.9 | 0 | 0 | 0 | 0 | 114.3 | E514 | E514-C516 WeakPolarHBondContact OE1-CB 3.4Å; E514-C516 PolarHBondContact OE1-SG 2.73Å | ||
| 517 | N | 30.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | cis | -155.3 | 177.8 | -5.9 | -154.2 | -34.1 | 0 | 0 | 0 | 109.7 | ||||
| 518 | H | 35.9 | Very low | 34.2 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 68% | 0.681 | 71% | 0.711 | S | S | * | * | trans | 77.7 | 109.9 | 162.8 | -60.6 | -55.6 | 0 | 0 | 0 | 120.4 | ||||
| 519 | N | 28.3 | Very low | 34.3 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | 45.5 | 127.4 | 122.6 | -45.8 | -11.4 | 0 | 0 | 0 | 121.3 | |||||
| 520 | G | 30.9 | Very low | 33.5 | Very low | 81 Ų | 81 | 126 Ų | 126 | 84% | 0.835 | 71% | 0.713 | S | S | * | * | trans | -178.6 | 174.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 521 | S | 29.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | trans | -165.7 | 157.4 | -177.1 | 55.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 522 | E | 24 | Very low | 31.9 | Very low | 160 Ų | 160 | 126.7 Ų | 126.7 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | 74.9 | 144.2 | 163.1 | -69.3 | -175.7 | 158.9 | 0 | 0 | 121.9 | ||||
| 523 | E | 33.6 | Very low | 31.5 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 49% | 0.486 | 72% | 0.716 | S | S | . | * | trans | -93.8 | 138.8 | 130.9 | 163.8 | 175.2 | -93.8 | 0 | 0 | 105 | R527 | E523-R527 IonicContact OE1-CZ 3.71Å; E523-R527 IonicContact OE1-NE 2.65Å; E523-R527 PolarHBondContact OE1-NE 2.65Å; E523-R527 IonicContact OE1-NH2 2.8Å; E523-R527 PolarHBondContact OE1-NH2 2.8Å; E523-R527 IonicContact OE2-CZ 2.62Å; E523-R527 IonicContact OE2-NE 3.26Å; E523-R527 IonicContact OE2-NH2 2.93Å; E523-R527 PolarHBondContact OE2-NH2 2.84Å | ||
| 524 | S | 26.6 | Very low | 31.3 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | S | Bend | cis | -52.8 | 122.4 | 20.7 | 47 | 0 | 0 | 0 | 0 | 117.1 | ||
| 525 | D | 33.7 | Very low | 30.9 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 53 | 94.7 | 168.1 | -60.8 | 44.2 | 0 | 0 | 0 | 116.4 | ||
| 526 | D | 51 | Low | 30.7 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | cis | -157.1 | -179.8 | 2.1 | -169.8 | 14.4 | 0 | 0 | 0 | 110.4 | ||||
| 527 | R | 50.4 | Low | 30.4 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -77.8 | 160.4 | -167.7 | -54.7 | 132.5 | -157.9 | -141.3 | -1.3 | 113.4 | E523 | E523-R527 IonicContact OE1-CZ 3.71Å; E523-R527 IonicContact OE1-NE 2.65Å; E523-R527 PolarHBondContact OE1-NE 2.65Å; E523-R527 IonicContact OE1-NH2 2.8Å; E523-R527 PolarHBondContact OE1-NH2 2.8Å; E523-R527 IonicContact OE2-CZ 2.62Å; E523-R527 IonicContact OE2-NE 3.26Å; E523-R527 IonicContact OE2-NH2 2.93Å; E523-R527 PolarHBondContact OE2-NH2 2.84Å | ||
| 528 | G | 51.6 | Low | 30.1 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | cis | -176.3 | -163.6 | 4.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 529 | Q | 29.7 | Very low | 29.5 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | trans | -148.4 | 176.9 | -170.7 | -78.2 | -166.6 | -6.1 | 0 | 0 | 114.7 | ||||
| 530 | C | 25.8 | Very low | 29.7 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 68% | 0.676 | 74% | 0.736 | S | S | * | * | trans | 92.8 | 133.4 | 159.2 | -62.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 531 | E | 22 | Very low | 29.5 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | trans | 45.9 | 150.3 | 130.8 | -58.7 | -178.2 | 158.3 | 0 | 0 | 121.8 | ||||
| 532 | S | 22.4 | Very low | 29.5 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | cis | -177.1 | 156.5 | -22.9 | 64.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 533 | V | 21.7 | Very low | 29.7 | Very low | 109 Ų | 109 | 137 Ų | 137 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | trans | 66.8 | 171.6 | 164.7 | -165.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 534 | I | 23 | Very low | 29.2 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | 82.1 | 84.4 | 167.6 | -44.6 | -176.8 | 0 | 0 | 0 | 117.7 | ||||
| 535 | V | 22.8 | Very low | 29.1 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | 41.1 | 104.2 | 116.7 | 179.3 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 536 | R | 22 | Very low | 28.6 | Very low | 222 Ų | 222 | 144.3 Ų | 144.3 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | 141.1 | 140.7 | 142.7 | -84.8 | 153.2 | 177.2 | 170.3 | -1.5 | 112.7 | ||||
| 537 | N | 22.6 | Very low | 27.3 | Very low | 136 Ų | 136 | 148 Ų | 148 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 39.8 | 140.1 | 140.3 | -61.9 | 8.3 | 0 | 0 | 0 | 122.7 | ||||
| 538 | Q | 23.9 | Very low | 26.2 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 82.3 | 141.9 | 145.1 | -76 | 166.8 | -21 | 0 | 0 | 121.1 | ||||
| 539 | S | 23.7 | Very low | 25.1 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | 67.8 | 119.5 | 150.1 | 46.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 540 | I | 32.5 | Very low | 24.9 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | trans | -68.5 | 146.2 | 158.2 | -60.2 | 153.4 | 0 | 0 | 0 | 110.1 | Q542 | I540-Q542 HydrophobicContact CG2-CG 4.29Š| ||
| 541 | P | 28 | Very low | 25 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 74% | 0.74 | 74% | 0.738 | S | S | * | * | -120.2 | 127.8 | 125.9 | -1.2 | 21.7 | 0 | 0 | 0 | 109.4 | |||||
| 542 | Q | 29.4 | Very low | 25.2 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | 52.3 | 116.4 | 59.3 | -76.5 | -144.5 | 10.9 | 0 | 0 | 114.6 | I540 | I540-Q542 HydrophobicContact CG2-CG 4.29Š| |||
| 543 | L | 26.7 | Very low | 25.3 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | 163 | 130.5 | 149.4 | -89.1 | 160.9 | 0 | 0 | 0 | 105.9 | ||||
| 544 | R | 24.9 | Very low | 25.5 | Very low | 214 Ų | 214 | 146.1 Ų | 146.1 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | S | Bend | cis | -160.8 | 133.8 | -6.9 | -143 | 173.4 | -143.2 | 151.8 | 5.4 | 104.5 | ||
| 545 | R | 23.4 | Very low | 25.6 | Very low | 213 Ų | 213 | 146.1 Ų | 146.1 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | -145.1 | 120.7 | 61.1 | -77.5 | 170 | 174 | 166.2 | -2.5 | 108.5 | |||||
| 546 | S | 24.3 | Very low | 25.6 | Very low | 78 Ų | 78 | 145 Ų | 145 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | 57.4 | 124.4 | 83.3 | 72.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 547 | Y | 23.2 | Very low | 25.6 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | cis | -135.9 | 128.6 | 44.6 | -99.8 | -114.2 | 0 | 0 | 0 | 116.1 | ||||
| 548 | F | 27.4 | Very low | 25.7 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 68% | 0.68 | 74% | 0.742 | S | S | * | * | trans | 68.2 | 124.2 | 145.1 | -75.9 | -118.3 | 0 | 0 | 0 | 118.4 | ||||
| 549 | D | 27.2 | Very low | 25.6 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 56% | 0.556 | 74% | 0.739 | S | S | * | * | 77.8 | 140.6 | 58.6 | -78.8 | -31.3 | 0 | 0 | 0 | 112.6 | |||||
| 550 | K | 27.1 | Very low | 25.6 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | cis | -164.9 | 162.3 | 11.2 | -128.5 | 166.7 | -172.2 | 65.5 | 0 | 111.7 | ||||
| 551 | L | 26.2 | Very low | 25.3 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | 64.3 | 150.3 | 156.9 | -61.9 | 157.9 | 0 | 0 | 0 | 116.9 | ||||
| 552 | G | 26.5 | Very low | 25.2 | Very low | 60 Ų | 60 | 143.3 Ų | 143.3 | 62% | 0.619 | 74% | 0.744 | S | S | * | * | cis | 167.4 | 115.6 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 553 | S | 25.4 | Very low | 24.9 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 48.8 | 141.4 | 136.5 | 59 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 554 | D | 24.5 | Very low | 24.8 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 97.2 | 135 | 134.3 | -77.7 | -6.2 | 0 | 0 | 0 | 123.6 | ||||
| 555 | I | 26.1 | Very low | 25 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | trans | 88 | 102.3 | 140.5 | -71.6 | 163.7 | 0 | 0 | 0 | 121 | ||||
| 556 | S | 23 | Very low | 25.1 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | 67.6 | 131.7 | 136.1 | 75.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 557 | F | 22.6 | Very low | 25.3 | Very low | 192 Ų | 192 | 136.1 Ų | 136.1 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | trans | 4.1 | 122.7 | 130.1 | -73.9 | -99.3 | 0 | 0 | 0 | 117.8 | ||||
| 558 | T | 23.1 | Very low | 25.4 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | 178.1 | 162.5 | 102.4 | 30.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 559 | A | 23.2 | Very low | 25.2 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | -85.8 | 139.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 560 | K | 22.4 | Very low | 25.1 | Very low | 206 Ų | 206 | 135 Ų | 135 | 90% | 0.896 | 75% | 0.749 | S | S | * | * | trans | -172.1 | 134 | 134.7 | -102.5 | 151.5 | -172.6 | 175.3 | 0 | 113.7 | ||||
| 561 | V | 26.9 | Very low | 25.1 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -71.5 | 141.6 | 163.9 | 169.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 562 | P | 26.5 | Very low | 25.2 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | -151 | 138.9 | 112.3 | 39.8 | -22.4 | 0 | 0 | 0 | 117.8 | |||||
| 563 | S | 23 | Very low | 25.1 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | trans | 57.1 | 132.1 | 131.9 | 68.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 564 | F | 24.4 | Very low | 25 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | 40.7 | 122.3 | 129.9 | -67.1 | -98.6 | 0 | 0 | 0 | 118.3 | |||||
| 565 | D | 27.5 | Very low | 25.2 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | -168.7 | 156.7 | 63.8 | -110.7 | -30.7 | 0 | 0 | 0 | 115.6 | |||||
| 566 | K | 26.4 | Very low | 25.1 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 54% | 0.539 | 72% | 0.718 | S | S | . | * | trans | -86.1 | 164.5 | 158.7 | -86.4 | 175.8 | 175.2 | 173.9 | 0 | 108.5 | ||||
| 567 | P | 28.1 | Very low | 25.2 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | cis | -160.9 | -168.3 | 44.1 | 42.5 | -18.5 | 0 | 0 | 0 | 118.9 | ||||
| 568 | S | 25.8 | Very low | 25.3 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | trans | 110.9 | 122.4 | 133.2 | 71.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 569 | K | 22.9 | Very low | 25.3 | Very low | 191 Ų | 191 | 120 Ų | 120 | 83% | 0.83 | 67% | 0.666 | S | S | * | * | trans | -73.7 | 156.5 | 175.2 | -52.8 | 169.9 | 175.6 | -175.5 | 0 | 111.7 | ||||
| 570 | I | 25.8 | Very low | 25.3 | Very low | 127 Ų | 127 | 120 Ų | 120 | 65% | 0.651 | 66% | 0.656 | S | S | * | * | trans | -157.7 | 111.8 | 138.1 | -105.1 | 150.6 | 0 | 0 | 0 | 110.5 | L2185 | I570-L2185 WeakPolarHBondContact CD1-O 3.4Š| ||
| 571 | E | 26.7 | Very low | 25.4 | Very low | 133 Ų | 133 | 115.2 Ų | 115.2 | 62% | 0.621 | 64% | 0.64 | S | S | * | * | trans | -74.3 | 169.8 | 156.6 | -58.8 | 169.8 | -177.3 | 0 | 0 | 108.2 | ||||
| 572 | P | 28.2 | Very low | 25.3 | Very low | 109 Ų | 109 | 114.7 Ų | 114.7 | 71% | 0.708 | 63% | 0.632 | S | S | * | * | cis | -158 | 178.5 | 28.2 | 42.4 | -18.8 | 0 | 0 | 0 | 120.5 | ||||
| 573 | S | 24.2 | Very low | 25.4 | Very low | 97 Ų | 97 | 116.4 Ų | 116.4 | 68% | 0.678 | 63% | 0.631 | S | S | * | * | trans | 77.3 | 123.6 | 134.8 | 67.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 574 | S | 24.6 | Very low | 25.5 | Very low | 90 Ų | 90 | 122.1 Ų | 122.1 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | 96.8 | 147.2 | 125.9 | 76.1 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 575 | F | 27 | Very low | 25.7 | Very low | 137 Ų | 137 | 118.7 Ų | 118.7 | 60% | 0.601 | 63% | 0.631 | S | S | * | * | trans | 74.3 | 113.2 | -178 | -60.3 | -96.7 | 0 | 0 | 0 | 113.3 | ||||
| 576 | N | 24.6 | Very low | 25.5 | Very low | 87 Ų | 87 | 118 Ų | 118 | 47% | 0.465 | 62% | 0.617 | S | S | . | * | 45.6 | 129.3 | 68.4 | -53 | 96.9 | 0 | 0 | 0 | 112.6 | R2136 A2137 | N576-R2136 HydrophobicContact CB-CG 3.77Å; N576-R2136 PolarHBondContact O-NE 3.01Å; N576-R2136 PolarHBondContact O-NH2 3.42Å; N576-A2137 HydrophobicContact CB-CB 4.32Å | |||
| 577 | P | 26.2 | Very low | 25.4 | Very low | 56 Ų | 56 | 115.1 Ų | 115.1 | 36% | 0.364 | 61% | 0.611 | S | S | . | * | cis | -150.7 | -152.2 | 9.5 | 43.9 | -19 | 0 | 0 | 0 | 115.1 | A2135 R2136 | P577-A2135 HydrophobicContact CB-CB 3.28Å; P577-A2135 HydrophobicContact CG-CB 3.3Å; P577-R2136 HydrophobicContact CB-CB 4.48Å; P577-R2136 HydrophobicContact CB-CG 4.07Å; P577-R2136 HydrophobicContact CG-CB 4.26Å; P577-R2136 HydrophobicContact CG-CG 3.72Å | ||
| 578 | F | 23.6 | Very low | 25.4 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 41% | 0.412 | 61% | 0.605 | S | S | . | * | trans | -32.7 | 165.2 | 146.7 | -60.9 | -91.2 | 0 | 0 | 0 | 115.4 | D2134 A2135 E2245 | F578-D2134 VanDerWaalsContact CB-OD1 3.23Å; F578-D2134 WeakPolarHBondContact CB-OD1 3.48Å; F578-A2135 HydrophobicContact CB-CB 4.35Å; F578-A2135 HydrophobicContact CD2-CB 4.43Å; F578-E2245 WeakPolarHBondContact CE1-OE2 3.13Å; F578-E2245 WeakPolarHBondContact CZ-OE2 3.38Å | ||
| 579 | P | 24 | Very low | 25.6 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | cis | -109.6 | 162.4 | 18.4 | 11.1 | 13.3 | 0 | 0 | 0 | 115 | E2133 D2134 | P579-E2133 HydrophobicContact CB-CG 4.24Å; P579-D2134 WeakPolarHBondContact CB-OD1 3.27Å; P579-D2134 WeakPolarHBondContact CG-OD1 3.48Å | ||
| 580 | V | 23.2 | Very low | 26 | Very low | 90 Ų | 90 | 115.3 Ų | 115.3 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | 61 | 137 | 76.3 | -167.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 581 | N | 24.4 | Very low | 26.2 | Very low | 105 Ų | 105 | 112.4 Ų | 112.4 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | trans | 89.7 | 96.1 | 167.6 | -73.5 | -38.9 | 0 | 0 | 0 | 121.2 | ||||
| 582 | N | 25.4 | Very low | 26.4 | Very low | 125 Ų | 125 | 110.7 Ų | 110.7 | 67% | 0.668 | 56% | 0.561 | S | S | * | * | 99.8 | 152.9 | 113.9 | -66.1 | -19.8 | 0 | 0 | 0 | 122.9 | |||||
| 583 | Q | 26.8 | Very low | 26.6 | Very low | 146 Ų | 146 | 110.2 Ų | 110.2 | 68% | 0.682 | 55% | 0.552 | S | S | * | * | trans | 76.7 | 60.5 | 159.9 | -75.4 | 170.6 | 6.9 | 0 | 0 | 119.8 | E585 | Q583-E585 HydrophobicContact CG-CG 4.31Å; Q583-E585 WeakPolarHBondContact CG-OE1 3.33Å | ||
| 584 | K | 26.5 | Very low | 26.9 | Very low | 208 Ų | 208 | 108.7 Ų | 108.7 | 90% | 0.904 | 53% | 0.533 | S | S | * | . | -166 | 54.8 | 126.9 | -100.9 | 159.9 | -173.9 | 177.9 | 0 | 108.5 | |||||
| 585 | E | 28.3 | Very low | 27.2 | Very low | 116 Ų | 116 | 108.6 Ų | 108.6 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | 48.4 | 101.9 | 74.7 | -84.9 | -170.9 | -154 | 0 | 0 | 113.7 | Q583 | Q583-E585 HydrophobicContact CG-CG 4.31Å; Q583-E585 WeakPolarHBondContact CG-OE1 3.33Å | |||
| 586 | R | 23.7 | Very low | 27.6 | Very low | 134 Ų | 134 | 107.2 Ų | 107.2 | 51% | 0.506 | 52% | 0.519 | S | S | . | . | trans | 68.2 | 67.9 | 157.8 | -47.5 | -178.1 | 71.7 | -165.8 | -2.5 | 117.3 | E590 K594 | R586-E590 VanDerWaalsContact CA-OE2 3.23Å; R586-E590 WeakPolarHBondContact CA-OE2 3.43Å; R586-E590 WeakPolarHBondContact CB-OE2 3.29Å; R586-E590 VanDerWaalsContact CG-OE2 3.32Å; R586-E590 WeakPolarHBondContact CG-OE2 3.07Å; R586-E590 IonicContact CZ-OE1 2.77Å; R586-E590 IonicContact NE-OE1 3.72Å; R586-E590 PolarHBondContact NE-OE1 2.87Å; R586-E590 IonicContact NE-OE2 2.91Å; R586-E590 IonicContact NH2-OE1 3.73Å; R586-E590 PolarHBondContact NH2-OE1 3.46Å; R586-K594 WeakPolarHBondContact O-CE 3.48Å; R586-K594 PolarHBondContact O-NZ 3.17Å | ||
| 587 | T | 23.8 | Very low | 28 | Very low | 65 Ų | 65 | 108.6 Ų | 108.6 | 40% | 0.399 | 52% | 0.523 | S | S | . | . | trans | -169.4 | 120.3 | 146.1 | 42.8 | 0 | 0 | 0 | 0 | 114.3 | E591 K594 | T587-E591 WeakPolarHBondContact CB-OE1 3.07Å; T587-E591 HydrophobicContact CG2-CB 3.88Å; T587-E591 HydrophobicContact CG2-CG 3.85Å; T587-E591 PolarHBondContact OG1-OE1 3.47Å; T587-K594 HydrophobicContact CG2-CB 4.3Å; T587-K594 HydrophobicContact CG2-CD 3.64Å; T587-K594 HydrophobicContact CG2-CG 4.26Å | ||
| 588 | K | 27.4 | Very low | 28.3 | Very low | 145 Ų | 145 | 111.8 Ų | 111.8 | 63% | 0.63 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -167.5 | -61 | 142.3 | -158.3 | 95.7 | -159 | 172.4 | 0 | 107.9 | E591 D592 | K588-E591 WeakPolarHBondContact CD-OE2 3.15Å; K588-E591 IonicContact NZ-OE2 3.01Å; K588-E591 PolarHBondContact NZ-OE2 2.89Å; K588-E591 WeakPolarHBondContact O-CB 3.32Å; K588-E591 PolarHBondContact O-N 3.45Å; K588-D592 PolarHBondContact O-N 3.48Å; K588-D592 VanDerWaalsContact O-N 3.13Å |
| 589 | Y | 30.3 | Very low | 28.8 | Very low | 209 Ų | 209 | 111.4 Ų | 111.4 | 82% | 0.82 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -25 | 154.2 | -91.1 | -88.7 | 0 | 0 | 0 | 112 | L593 | Y589-L593 WeakPolarHBondContact O-CD1 3.19Š|
| 590 | E | 30.6 | Very low | 29.2 | Very low | 69 Ų | 69 | 114.4 Ų | 114.4 | 32% | 0.322 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -1.3 | 162.6 | -85.2 | -175.7 | 115.7 | 0 | 0 | 114.1 | R586 K594 | R586-E590 VanDerWaalsContact CA-OE2 3.23Å; R586-E590 WeakPolarHBondContact CA-OE2 3.43Å; R586-E590 WeakPolarHBondContact CB-OE2 3.29Å; R586-E590 VanDerWaalsContact CG-OE2 3.32Å; R586-E590 WeakPolarHBondContact CG-OE2 3.07Å; R586-E590 IonicContact CZ-OE1 2.77Å; R586-E590 IonicContact NE-OE1 3.72Å; R586-E590 PolarHBondContact NE-OE1 2.87Å; R586-E590 IonicContact NE-OE2 2.91Å; R586-E590 IonicContact NH2-OE1 3.73Å; R586-E590 PolarHBondContact NH2-OE1 3.46Å; E590-K594 VanDerWaalsContact O-CB 3.25Å; E590-K594 WeakPolarHBondContact O-CB 3.48Å; E590-K594 VanDerWaalsContact O-CG 3.29Å; E590-K594 WeakPolarHBondContact O-CG 3.44Å; E590-K594 PolarHBondContact O-N 2.82Å |
| 591 | E | 30.8 | Very low | 29.5 | Very low | 66 Ų | 66 | 113.4 Ų | 113.4 | 31% | 0.308 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -87.9 | -48.1 | 175.4 | -146.6 | 145 | -111.1 | 0 | 0 | 108.8 | T587 K588 L593 K594 L595 | T587-E591 WeakPolarHBondContact CB-OE1 3.07Å; T587-E591 HydrophobicContact CG2-CB 3.88Å; T587-E591 HydrophobicContact CG2-CG 3.85Å; T587-E591 PolarHBondContact OG1-OE1 3.47Å; K588-E591 WeakPolarHBondContact CD-OE2 3.15Å; K588-E591 IonicContact NZ-OE2 3.01Å; K588-E591 PolarHBondContact NZ-OE2 2.89Å; K588-E591 WeakPolarHBondContact O-CB 3.32Å; K588-E591 PolarHBondContact O-N 3.45Å; E591-L593 PolarHBondContact O-N 3.26Å; E591-K594 PolarHBondContact O-N 3.5Å; E591-K594 VanDerWaalsContact O-N 3.14Å; E591-L595 WeakPolarHBondContact O-CD1 3.47Å; E591-L595 PolarHBondContact O-N 3.1Å |
| 592 | D | 31 | Very low | 29.7 | Very low | 98 Ų | 98 | 113.7 Ų | 113.7 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.5 | -10.8 | 164.6 | -77.3 | -12.8 | 0 | 0 | 0 | 113.7 | K588 | K588-D592 PolarHBondContact O-N 3.48Å; K588-D592 VanDerWaalsContact O-N 3.13Å |
| 593 | L | 32.6 | Very low | 29.9 | Very low | 98 Ų | 98 | 115.3 Ų | 115.3 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -103.3 | -38.4 | 167.9 | -101.6 | 86.4 | 0 | 0 | 0 | 113.8 | Y589 E591 L595 K596 E597 | Y589-L593 WeakPolarHBondContact O-CD1 3.19Å; E591-L593 PolarHBondContact O-N 3.26Å; L593-L595 PolarHBondContact O-N 3.08Å; L593-K596 CarbonylContact O-C 3.58Å; L593-K596 VanDerWaalsContact O-CA 3.32Å; L593-K596 WeakPolarHBondContact O-CA 3.42Å; L593-K596 WeakPolarHBondContact O-CB 3.48Å; L593-K596 PolarHBondContact O-N 3.43Å; L593-E597 PolarHBondContact O-N 3.45Å |
| 594 | K | 30.2 | Very low | 29.8 | Very low | 66 Ų | 66 | 113.2 Ų | 113.2 | 29% | 0.287 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70 | -29.2 | 177.3 | -82.2 | -170.2 | -165.6 | 163.1 | 0 | 113.4 | R586 T587 E590 E591 K596 E597 N598 | R586-K594 WeakPolarHBondContact O-CE 3.48Å; R586-K594 PolarHBondContact O-NZ 3.17Å; T587-K594 HydrophobicContact CG2-CB 4.3Å; T587-K594 HydrophobicContact CG2-CD 3.64Å; T587-K594 HydrophobicContact CG2-CG 4.26Å; E590-K594 VanDerWaalsContact O-CB 3.25Å; E590-K594 WeakPolarHBondContact O-CB 3.48Å; E590-K594 VanDerWaalsContact O-CG 3.29Å; E590-K594 WeakPolarHBondContact O-CG 3.44Å; E590-K594 PolarHBondContact O-N 2.82Å; E591-K594 PolarHBondContact O-N 3.5Å; E591-K594 VanDerWaalsContact O-N 3.14Å; K594-K596 PolarHBondContact O-N 3.13Å; K594-E597 PolarHBondContact O-N 3.45Å; K594-N598 WeakPolarHBondContact O-CB 3.48Å; K594-N598 PolarHBondContact O-N 3.12Å |
| 595 | L | 31.9 | Very low | 30 | Very low | 88 Ų | 88 | 114 Ų | 114 | 46% | 0.461 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.6 | -33.2 | 165.1 | -93.1 | 96.4 | 0 | 0 | 0 | 111.2 | E591 L593 L599 | E591-L595 WeakPolarHBondContact O-CD1 3.47Å; E591-L595 PolarHBondContact O-N 3.1Å; L593-L595 PolarHBondContact O-N 3.08Å; L595-L599 WeakPolarHBondContact O-CD1 3.13Å |
| 596 | K | 34.1 | Very low | 30 | Very low | 107 Ų | 107 | 112.3 Ų | 112.3 | 47% | 0.465 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -82.2 | -19.8 | 176.5 | -69.5 | 177.2 | 177.1 | 166.2 | 0 | 114.1 | L593 K594 N600 | L593-K596 CarbonylContact O-C 3.58Å; L593-K596 VanDerWaalsContact O-CA 3.32Å; L593-K596 WeakPolarHBondContact O-CA 3.42Å; L593-K596 WeakPolarHBondContact O-CB 3.48Å; L593-K596 PolarHBondContact O-N 3.43Å; K594-K596 PolarHBondContact O-N 3.13Å; K596-N600 PolarHBondContact O-ND2 3.01Å |
| 597 | E | 33.1 | Very low | 30.3 | Very low | 117 Ų | 117 | 111.3 Ų | 111.3 | 55% | 0.547 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -85.6 | -39.8 | 173 | -69 | -174.3 | 146.8 | 0 | 0 | 112.2 | L593 K594 L599 N600 | L593-E597 PolarHBondContact O-N 3.45Å; K594-E597 PolarHBondContact O-N 3.45Å; E597-L599 PolarHBondContact O-N 2.72Å; E597-L599 VanDerWaalsContact O-N 3.16Å; E597-N600 PolarHBondContact O-N 3.04Å |
| 598 | N | 33 | Very low | 31 | Very low | 123 Ų | 123 | 113.2 Ų | 113.2 | 66% | 0.658 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -14.8 | -177.7 | -76.6 | -16 | 0 | 0 | 0 | 114.7 | K594 | K594-N598 WeakPolarHBondContact O-CB 3.48Å; K594-N598 PolarHBondContact O-N 3.12Å |
| 599 | L | 33.2 | Very low | 31.8 | Very low | 86 Ų | 86 | 109.6 Ų | 109.6 | 45% | 0.45 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.2 | 12.9 | -177.5 | -69.8 | 156 | 0 | 0 | 0 | 112.8 | L595 E597 Q660 | L595-L599 WeakPolarHBondContact O-CD1 3.13Å; E597-L599 PolarHBondContact O-N 2.72Å; E597-L599 VanDerWaalsContact O-N 3.16Å; L599-Q660 VanDerWaalsContact CD1-NE2 3.3Å; L599-Q660 VanDerWaalsContact CD1-OE1 3.29Å |
| 600 | N | 32.8 | Very low | 32.7 | Very low | 141 Ų | 141 | 102.8 Ų | 102.8 | 75% | 0.754 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -115.2 | 28.4 | 179.7 | -86.1 | -63.9 | 0 | 0 | 0 | 113.6 | K596 E597 | K596-N600 PolarHBondContact O-ND2 3.01Å; E597-N600 PolarHBondContact O-N 3.04Å |
| 601 | G | 30.1 | Very low | 33.8 | Very low | 70 Ų | 70 | 103.3 Ų | 103.3 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -157.4 | 21.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 602 | C | 28.8 | Very low | 34.9 | Very low | 111 Ų | 111 | 102.8 Ų | 102.8 | 75% | 0.75 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -124.1 | 140.4 | 179.9 | -72.7 | 0 | 0 | 0 | 0 | 113 | ||
| 603 | D | 28.1 | Very low | 36.4 | Very low | 158 Ų | 158 | 98.3 Ų | 98.3 | 85% | 0.845 | 53% | 0.532 | S | S | * | . | trans | -68.4 | 139.1 | -176.8 | -82.3 | -57.5 | 0 | 0 | 0 | 114.1 | Y605 | D603-Y605 VanDerWaalsContact C-N 3.3Å; D603-Y605 PolarHBondContact O-N 3.06Å | ||
| 604 | M | 26.4 | Very low | 38 | Very low | 102 Ų | 102 | 99.3 Ų | 99.3 | 50% | 0.502 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -80.7 | 19.2 | -155.5 | -67.9 | -98.9 | 57.3 | 0 | 0 | 117 | I664 | M604-I664 HydrophobicContact CE-CB 4.37Å; M604-I664 HydrophobicContact CE-CD1 3.88Å; M604-I664 HydrophobicContact CE-CG1 3.81Å; M604-I664 HydrophobicContact CE-CG2 3.63Å; M604-I664 HydrophobicContact SD-CB 4.44Å; M604-I664 HydrophobicContact SD-CG1 4.02Å; M604-I664 HydrophobicContact SD-CG2 3.85Å |
| 605 | Y | 29.4 | Very low | 39.8 | Very low | 224 Ų | 224 | 101.7 Ų | 101.7 | 88% | 0.878 | 54% | 0.544 | S | S | * | . | trans | -132.3 | 35.4 | -163.6 | -67.2 | -72.4 | 0 | 0 | 0 | 115.9 | D603 | D603-Y605 VanDerWaalsContact C-N 3.3Å; D603-Y605 PolarHBondContact O-N 3.06Å | ||
| 606 | S | 28.4 | Very low | 41.5 | Very low | 82 Ų | 82 | 98.8 Ų | 98.8 | 57% | 0.573 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -147.8 | 159.4 | 173.3 | 65.5 | 0 | 0 | 0 | 0 | 114.5 | H608 | S606-H608 VanDerWaalsContact C-N 3.26Å; S606-H608 PolarHBondContact O-N 3.17Å |
| 607 | S | 31.5 | Very low | 43.3 | Very low | 113 Ų | 113 | 94.1 Ų | 94.1 | 79% | 0.79 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -81.2 | 40.9 | -163.2 | 65.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 608 | H | 37.6 | Very low | 44.9 | Very low | 105 Ų | 105 | 90 Ų | 90 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | trans | -100.5 | -6.6 | -169.3 | -79 | -60.1 | 0 | 0 | 0 | 116.1 | S606 F610 D611 | S606-H608 VanDerWaalsContact C-N 3.26Å; S606-H608 PolarHBondContact O-N 3.17Å; H608-F610 VanDerWaalsContact C-N 3.35Å; H608-F610 PolarHBondContact O-N 2.79Å; H608-D611 IonicContact ND1-OD2 2.92Å; H608-D611 PolarHBondContact ND1-OD2 3.22Å; H608-D611 PolarHBondContact O-N 3.38Å | ||
| 609 | N | 44.3 | Very low | 46.6 | Very low | 69 Ų | 69 | 89.6 Ų | 89.6 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.2 | -20.2 | -173.5 | -69.7 | 7 | 0 | 0 | 0 | 114.9 | S612 F657 | N609-S612 PolarHBondContact O-OG 2.76Å; N609-F657 WeakPolarHBondContact O-CE2 3.36Å |
| 610 | F | 48.2 | Very low | 48 | Very low | 66 Ų | 66 | 86.3 Ų | 86.3 | 29% | 0.289 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -77.6 | -38.8 | 175.5 | -95.1 | -70.8 | 0 | 0 | 0 | 113.1 | H608 S612 L613 F614 I679 D682 A683 L686 | H608-F610 VanDerWaalsContact C-N 3.35Å; H608-F610 PolarHBondContact O-N 2.79Å; F610-S612 PolarHBondContact O-N 2.84Å; F610-L613 PolarHBondContact O-N 3.08Å; F610-F614 PolarHBondContact O-N 3.23Å; F610-F614 VanDerWaalsContact O-N 3.09Å; F610-I679 HydrophobicContact CE2-CB 4.23Å; F610-I679 HydrophobicContact CE2-CG1 4.08Å; F610-I679 HydrophobicContact CE2-CG2 3.81Å; F610-I679 HydrophobicContact CZ-CB 4.28Å; F610-I679 HydrophobicContact CZ-CG2 3.82Å; F610-I679 WeakPolarHBondContact CZ-O 3.47Å; F610-D682 HydrophobicContact CE1-CB 3.82Å; F610-D682 HydrophobicContact CZ-CB 3.58Å; F610-A683 HydrophobicContact CE1-CB 4.27Å; F610-L686 HydrophobicContact CD1-CD1 4.15Å; F610-L686 HydrophobicContact CE1-CD1 4.3Å |
| 611 | D | 53.9 | Low | 49.4 | Very low | 80 Ų | 80 | 81 Ų | 81 | 43% | 0.428 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.1 | -38.4 | 178.6 | -66.6 | -33.6 | 0 | 0 | 0 | 110.4 | H608 F614 H615 | H608-D611 IonicContact ND1-OD2 2.92Å; H608-D611 PolarHBondContact ND1-OD2 3.22Å; H608-D611 PolarHBondContact O-N 3.38Å; D611-F614 PolarHBondContact O-N 3.32Å; D611-H615 VanDerWaalsContact O-CB 3.26Å; D611-H615 WeakPolarHBondContact O-CB 3.27Å; D611-H615 PolarHBondContact O-CD2 3.49Å; D611-H615 PolarHBondContact O-N 2.9Å |
| 612 | S | 55.1 | Low | 50.8 | Low | 55 Ų | 55 | 82.8 Ų | 82.8 | 39% | 0.385 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 179.2 | 43 | 0 | 0 | 0 | 0 | 114.4 | N609 F610 A616 | N609-S612 PolarHBondContact O-OG 2.76Å; F610-S612 PolarHBondContact O-N 2.84Å; S612-A616 WeakPolarHBondContact O-CB 3.34Å; S612-A616 PolarHBondContact O-N 3.42Å |
| 613 | L | 61.9 | Low | 52.1 | Low | 4 Ų | 4 | 81.5 Ų | 81.5 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67 | -44.5 | 176.6 | -172.3 | 93 | 0 | 0 | 0 | 110.4 | F610 H615 A616 L617 I653 F657 A683 L686 | F610-L613 PolarHBondContact O-N 3.08Å; L613-H615 PolarHBondContact O-N 3.21Å; L613-A616 PolarHBondContact O-N 3.18Å; L613-L617 HydrophobicContact CD2-CD1 4.28Å; L613-L617 HydrophobicContact CG-CD1 4.22Å; L613-L617 WeakPolarHBondContact O-CG 3.18Å; L613-L617 PolarHBondContact O-N 3.48Å; L613-I653 HydrophobicContact CD1-CG2 4.03Å; L613-F657 HydrophobicContact CB-CD2 4.28Å; L613-F657 HydrophobicContact CB-CE2 4.29Å; L613-F657 HydrophobicContact CD1-CB 3.75Å; L613-F657 HydrophobicContact CD1-CD1 4.09Å; L613-F657 HydrophobicContact CD1-CD2 4.03Å; L613-F657 HydrophobicContact CD1-CG 3.71Å; L613-A683 HydrophobicContact CD2-CB 3.68Å; L613-L686 HydrophobicContact CD2-CB 4.28Å; L613-L686 HydrophobicContact CD2-CD1 4.06Å |
| 614 | F | 67.1 | Low | 53.2 | Low | 119 Ų | 119 | 74.6 Ų | 74.6 | 52% | 0.522 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 178.6 | -176.2 | -96.6 | 0 | 0 | 0 | 112 | F610 D611 S618 L686 | F610-F614 PolarHBondContact O-N 3.23Å; F610-F614 VanDerWaalsContact O-N 3.09Å; D611-F614 PolarHBondContact O-N 3.32Å; F614-S618 WeakPolarHBondContact O-CB 3.35Å; F614-S618 PolarHBondContact O-N 3.36Å; F614-S618 PolarHBondContact O-OG 3.27Å; F614-L686 HydrophobicContact CD2-CD2 4.3Å |
| 615 | H | 67.9 | Low | 54.4 | Low | 116 Ų | 116 | 75.3 Ų | 75.3 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 173.5 | -92.5 | -72.8 | 0 | 0 | 0 | 112.3 | D611 L613 S618 E619 | D611-H615 VanDerWaalsContact O-CB 3.26Å; D611-H615 WeakPolarHBondContact O-CB 3.27Å; D611-H615 PolarHBondContact O-CD2 3.49Å; D611-H615 PolarHBondContact O-N 2.9Å; L613-H615 PolarHBondContact O-N 3.21Å; H615-S618 CarbonylContact O-C 3.42Å; H615-S618 WeakPolarHBondContact O-CB 3.22Å; H615-S618 PolarHBondContact O-N 3.31Å; H615-E619 PolarHBondContact O-N 3.01Å |
| 616 | A | 67.4 | Low | 54.8 | Low | 26 Ų | 26 | 66.7 Ų | 66.7 | 22% | 0.215 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S612 L613 S618 E619 L620 I653 | S612-A616 WeakPolarHBondContact O-CB 3.34Å; S612-A616 PolarHBondContact O-N 3.42Å; L613-A616 PolarHBondContact O-N 3.18Å; A616-S618 VanDerWaalsContact C-N 3.34Å; A616-E619 PolarHBondContact O-N 2.74Å; A616-L620 PolarHBondContact O-N 2.76Å; A616-I653 HydrophobicContact CB-CD1 4.09Å; A616-I653 HydrophobicContact CB-CG2 3.86Å |
| 617 | L | 70.5 | Confident | 55.7 | Low | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 171.7 | -69.5 | 174.6 | 0 | 0 | 0 | 111.9 | L613 L620 T621 A650 L686 L687 W690 | L613-L617 HydrophobicContact CD2-CD1 4.28Å; L613-L617 HydrophobicContact CG-CD1 4.22Å; L613-L617 WeakPolarHBondContact O-CG 3.18Å; L613-L617 PolarHBondContact O-N 3.48Å; L617-L620 PolarHBondContact O-N 2.92Å; L617-T621 PolarHBondContact O-N 2.97Å; L617-T621 VanDerWaalsContact O-N 3.1Å; L617-T621 PolarHBondContact O-OG1 2.8Å; L617-T621 VanDerWaalsContact O-OG1 3.08Å; L617-A650 HydrophobicContact CD2-CB 3.81Å; L617-L686 HydrophobicContact CD1-CB 4.4Å; L617-L687 HydrophobicContact CD2-CD1 4.28Å; L617-W690 HydrophobicContact CD2-CD2 4.39Å; L617-W690 HydrophobicContact CD2-CG 4.26Å; L617-W690 PolarHBondContact O-NE1 3.01Å; L617-W690 VanDerWaalsContact O-NE1 3.13Å |
| 618 | S | 68 | Low | 56.6 | Low | 31 Ų | 31 | 65.8 Ų | 65.8 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68 | -33.6 | 176.3 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | F614 H615 A616 T621 R622 | F614-S618 WeakPolarHBondContact O-CB 3.35Å; F614-S618 PolarHBondContact O-N 3.36Å; F614-S618 PolarHBondContact O-OG 3.27Å; H615-S618 CarbonylContact O-C 3.42Å; H615-S618 WeakPolarHBondContact O-CB 3.22Å; H615-S618 PolarHBondContact O-N 3.31Å; A616-S618 VanDerWaalsContact C-N 3.34Å; S618-T621 PolarHBondContact O-N 3.26Å; S618-R622 WeakPolarHBondContact O-CB 3.35Å; S618-R622 PolarHBondContact O-N 3.45Å |
| 619 | E | 67.3 | Low | 57.4 | Low | 113 Ų | 113 | 61.6 Ų | 61.6 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.5 | -40.1 | 174 | -78.8 | -165.7 | 128 | 0 | 0 | 111.8 | H615 A616 T621 R622 N623 | H615-E619 PolarHBondContact O-N 3.01Å; A616-E619 PolarHBondContact O-N 2.74Å; E619-T621 PolarHBondContact O-N 3.49Å; E619-R622 PolarHBondContact O-N 2.99Å; E619-N623 WeakPolarHBondContact O-CB 3.44Å; E619-N623 PolarHBondContact O-N 3.1Å; E619-N623 PolarHBondContact O-ND2 3.48Å; E619-N623 VanDerWaalsContact O-ND2 3.17Å |
| 620 | L | 64 | Low | 57.9 | Low | 17 Ų | 17 | 58.3 Ų | 58.3 | 9% | 0.089 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 170.8 | -71.6 | -178.1 | 0 | 0 | 0 | 111.8 | A616 L617 R622 N623 N624 T646 E649 A650 I653 W690 | A616-L620 PolarHBondContact O-N 2.76Å; L617-L620 PolarHBondContact O-N 2.92Å; L620-R622 PolarHBondContact O-N 2.89Å; L620-N623 PolarHBondContact O-N 2.98Å; L620-N624 PolarHBondContact O-N 3.26Å; L620-T646 HydrophobicContact CD2-CG2 4.36Å; L620-E649 HydrophobicContact CD1-CB 3.97Å; L620-E649 HydrophobicContact CD2-CB 3.85Å; L620-E649 WeakPolarHBondContact CD2-OE2 3.5Å; L620-A650 HydrophobicContact CD1-CB 3.79Å; L620-A650 VanDerWaalsContact CD1-N 3.35Å; L620-I653 HydrophobicContact CD1-CD1 3.57Å; L620-I653 HydrophobicContact CG-CD1 4.05Å; L620-W690 HydrophobicContact CB-CZ2 3.94Å; L620-W690 HydrophobicContact CD1-CZ2 4.4Å |
| 621 | T | 62.7 | Low | 58.4 | Low | 30 Ų | 30 | 57.6 Ų | 57.6 | 18% | 0.184 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.8 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | L617 S618 E619 N623 N624 Q625 W690 | L617-T621 PolarHBondContact O-N 2.97Å; L617-T621 VanDerWaalsContact O-N 3.1Å; L617-T621 PolarHBondContact O-OG1 2.8Å; L617-T621 VanDerWaalsContact O-OG1 3.08Å; S618-T621 PolarHBondContact O-N 3.26Å; E619-T621 PolarHBondContact O-N 3.49Å; T621-N623 PolarHBondContact O-N 3.36Å; T621-N624 PolarHBondContact O-N 3.02Å; T621-Q625 VanDerWaalsContact CG2-CD 3.43Å; T621-Q625 HydrophobicContact CG2-CG 3.83Å; T621-Q625 WeakPolarHBondContact O-CB 3.15Å; T621-Q625 PolarHBondContact O-N 2.9Å; T621-W690 PolarHBondContact OG1-NE1 3.3Å |
| 622 | R | 58 | Low | 58.7 | Low | 108 Ų | 108 | 56.3 Ų | 56.3 | 41% | 0.408 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66 | -34.8 | -177.3 | -176 | 177.6 | -70.4 | 156.4 | -1.1 | 112.6 | S618 E619 L620 N624 T626 | S618-R622 WeakPolarHBondContact O-CB 3.35Å; S618-R622 PolarHBondContact O-N 3.45Å; E619-R622 PolarHBondContact O-N 2.99Å; L620-R622 PolarHBondContact O-N 2.89Å; R622-N624 VanDerWaalsContact C-N 3.25Å; R622-N624 PolarHBondContact O-N 3.43Å; R622-T626 WeakPolarHBondContact O-CG2 3.41Å; R622-T626 PolarHBondContact O-OG1 3.29Å |
| 623 | N | 56.1 | Low | 58.8 | Low | 84 Ų | 84 | 54.3 Ų | 54.3 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.9 | -21.7 | 177.2 | -70.6 | -25.4 | 0 | 0 | 0 | 113.1 | E619 L620 T621 | E619-N623 WeakPolarHBondContact O-CB 3.44Å; E619-N623 PolarHBondContact O-N 3.1Å; E619-N623 PolarHBondContact O-ND2 3.48Å; E619-N623 VanDerWaalsContact O-ND2 3.17Å; L620-N623 PolarHBondContact O-N 2.98Å; T621-N623 PolarHBondContact O-N 3.36Å |
| 624 | N | 51.9 | Low | 58.8 | Low | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -101.8 | -38.2 | 178.3 | -83.6 | 5.7 | 0 | 0 | 0 | 114.8 | L620 T621 R622 T626 R627 T646 | L620-N624 PolarHBondContact O-N 3.26Å; T621-N624 PolarHBondContact O-N 3.02Å; R622-N624 VanDerWaalsContact C-N 3.25Å; R622-N624 PolarHBondContact O-N 3.43Å; N624-T626 VanDerWaalsContact C-N 3.33Å; N624-T626 PolarHBondContact O-N 2.95Å; N624-R627 VanDerWaalsContact O-CB 3.3Å; N624-R627 WeakPolarHBondContact O-CB 3.36Å; N624-R627 PolarHBondContact O-N 2.86Å; N624-T646 WeakPolarHBondContact ND2-CG2 3.34Å; N624-T646 PolarHBondContact ND2-OG1 3.42Å |
| 625 | Q | 50.5 | Low | 58.6 | Low | 117 Ų | 117 | 54 Ų | 54 | 55% | 0.547 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69 | -31.9 | -175.8 | -83.2 | -173.8 | -15.5 | 0 | 0 | 113.4 | T621 R627 | T621-Q625 VanDerWaalsContact CG2-CD 3.43Å; T621-Q625 HydrophobicContact CG2-CG 3.83Å; T621-Q625 WeakPolarHBondContact O-CB 3.15Å; T621-Q625 PolarHBondContact O-N 2.9Å; Q625-R627 PolarHBondContact O-N 2.9Å |
| 626 | T | 39.8 | Very low | 58.4 | Low | 42 Ų | 42 | 48.5 Ų | 48.5 | 26% | 0.258 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 0.6 | 178.7 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | R622 N624 Q2197 C2198 P2199 | R622-T626 WeakPolarHBondContact O-CG2 3.41Å; R622-T626 PolarHBondContact O-OG1 3.29Å; N624-T626 VanDerWaalsContact C-N 3.33Å; N624-T626 PolarHBondContact O-N 2.95Å; T626-Q2197 HydrophobicContact CG2-CB 4.27Å; T626-C2198 HydrophobicContact CG2-CB 3.98Å; T626-C2198 CarbonylContact O-C 3.48Å; T626-C2198 WeakPolarHBondContact OG1-CB 3.47Å; T626-P2199 VanDerWaalsContact O-N 3.15Å |
| 627 | R | 46.7 | Very low | 58 | Low | 69 Ų | 69 | 47.3 Ų | 47.3 | 26% | 0.26 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -102.8 | 121.1 | -175.2 | -99.4 | -156.7 | -153.5 | -165 | 14.9 | 106.5 | N624 Q625 F639 E642 P2199 Y2200 | N624-R627 VanDerWaalsContact O-CB 3.3Å; N624-R627 WeakPolarHBondContact O-CB 3.36Å; N624-R627 PolarHBondContact O-N 2.86Å; Q625-R627 PolarHBondContact O-N 2.9Å; R627-F639 HydrophobicContact CB-CE2 4.01Å; R627-F639 WeakPolarHBondContact O-CE2 3.23Å; R627-E642 IonicContact CZ-OE1 2.77Å; R627-E642 IonicContact NH1-OE1 3.59Å; R627-E642 PolarHBondContact NH1-OE1 3.31Å; R627-E642 IonicContact NH1-OE2 3.31Å; R627-E642 IonicContact NH2-OE1 3.93Å; R627-E642 PolarHBondContact NH2-OE1 2.8Å; R627-P2199 VanDerWaalsContact CA-O 3.27Å; R627-P2199 WeakPolarHBondContact CA-O 3.49Å; R627-P2199 VanDerWaalsContact CG-CD 3.41Å; R627-P2199 HydrophobicContact CG-CG 3.68Å; R627-Y2200 HydrophobicContact CB-CD2 3.26Å; R627-Y2200 HydrophobicContact CB-CE2 3.66Å; R627-Y2200 HydrophobicContact CB-CG 3.87Å; R627-Y2200 HydrophobicContact CG-CD1 4.32Å; R627-Y2200 HydrophobicContact CG-CD2 3.56Å; R627-Y2200 HydrophobicContact CG-CE2 3.85Å; R627-Y2200 HydrophobicContact CG-CG 3.72Å; R627-Y2200 PolarHBondContact NH1-OH 3.46Å |
| 628 | N | 49.6 | Very low | 57.7 | Low | 108 Ų | 108 | 51.1 Ų | 51.1 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -92.5 | 126.4 | 176 | -95.9 | -28.9 | 0 | 0 | 0 | 112.3 | G630 P2199 Y2200 C2201 | N628-G630 PolarHBondContact O-N 3.43Å; N628-P2199 PolarHBondContact N-O 3.33Å; N628-P2199 VanDerWaalsContact N-O 3.13Å; N628-Y2200 WeakPolarHBondContact O-CB 3.37Å; N628-C2201 HydrophobicContact CB-CB 4.49Å; N628-C2201 PolarHBondContact O-N 2.8Å; N628-C2201 PolarHBondContact O-SG 2.66Å |
| 629 | P | 54.3 | Low | 57.6 | Low | 16 Ų | 16 | 50.3 Ų | 50.3 | 10% | 0.104 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 132.7 | 171 | 26.8 | -30.4 | 0 | 0 | 0 | 110.9 | I636 F639 L701 R704 | P629-I636 HydrophobicContact CB-CG1 4.26Å; P629-F639 HydrophobicContact CB-CB 3.97Å; P629-F639 HydrophobicContact CB-CD2 3.73Å; P629-F639 HydrophobicContact CB-CG 3.94Å; P629-F639 HydrophobicContact CG-CD2 4.1Å; P629-F639 HydrophobicContact CG-CG 4.44Å; P629-L701 HydrophobicContact CB-CD2 4.11Å; P629-L701 HydrophobicContact CG-CD2 3.84Å; P629-R704 PolarHBondContact O-NH1 3.13Å; P629-R704 PolarHBondContact O-NH2 3.06Å |
| 630 | G | 55.8 | Low | 57.5 | Low | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | trans | -68.4 | 178.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | N628 T632 R704 | N628-G630 PolarHBondContact O-N 3.43Å; G630-T632 VanDerWaalsContact C-N 3.28Å; G630-T632 PolarHBondContact O-N 3.35Å; G630-R704 PolarHBondContact O-NH2 3.41Å | ||
| 631 | D | 59 | Low | 57.4 | Low | 50 Ų | 50 | 46.2 Ų | 46.2 | 27% | 0.267 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -83.8 | 2.7 | -177.4 | -113.8 | 28.7 | 0 | 0 | 0 | 113.7 | R704 T806 H807 D2202 | D631-R704 IonicContact OD1-NH2 3.21Å; D631-T806 PolarHBondContact OD2-OG1 2.91Å; D631-H807 PolarHBondContact O-CE1 2.86Å; D631-D2202 PolarHBondContact N-OD2 3.28Å |
| 632 | T | 60 | Low | 57.4 | Low | 54 Ų | 54 | 47.4 Ų | 47.4 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -107.8 | 155.3 | 173.5 | 84.8 | 0 | 0 | 0 | 0 | 113.1 | G630 T634 D635 I636 L708 | G630-T632 VanDerWaalsContact C-N 3.28Å; G630-T632 PolarHBondContact O-N 3.35Å; T632-T634 VanDerWaalsContact C-N 3.25Å; T632-T634 PolarHBondContact O-N 2.9Å; T632-T634 PolarHBondContact OG1-N 2.7Å; T632-T634 PolarHBondContact OG1-OG1 3Å; T632-D635 VanDerWaalsContact CB-OD2 3.31Å; T632-D635 WeakPolarHBondContact CB-OD2 3.12Å; T632-D635 WeakPolarHBondContact CG2-OD2 3.35Å; T632-D635 PolarHBondContact N-OD2 2.69Å; T632-D635 PolarHBondContact O-N 3.11Å; T632-D635 VanDerWaalsContact O-N 3.15Å; T632-D635 VanDerWaalsContact OG1-CG 3.28Å; T632-D635 PolarHBondContact OG1-N 3.25Å; T632-D635 PolarHBondContact OG1-OD2 2.88Å; T632-I636 PolarHBondContact O-N 3.07Å; T632-L708 VanDerWaalsContact C-CD2 3.45Å |
| 633 | V | 56.7 | Low | 57.9 | Low | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52 | -45.4 | 172.8 | 162.7 | 0 | 0 | 0 | 0 | 111.3 | D635 I636 E637 L705 L708 N709 E712 N1088 | V633-D635 VanDerWaalsContact C-N 3.34Å; V633-D635 PolarHBondContact O-N 2.75Å; V633-I636 PolarHBondContact O-N 3.38Å; V633-E637 WeakPolarHBondContact CG1-OE2 3.45Å; V633-E637 WeakPolarHBondContact O-CG 3.49Å; V633-E637 PolarHBondContact O-N 2.98Å; V633-L705 HydrophobicContact CB-CD1 4.43Å; V633-L705 HydrophobicContact CG1-CD1 4Å; V633-L705 HydrophobicContact CG2-CD1 4.4Å; V633-L708 HydrophobicContact CG2-CB 4.41Å; V633-L708 HydrophobicContact CG2-CD2 3.89Å; V633-L708 HydrophobicContact CG2-CG 3.85Å; V633-N709 WeakPolarHBondContact CG2-OD1 3.34Å; V633-E712 HydrophobicContact CG2-CG 4.39Å; V633-E712 VanDerWaalsContact CG2-OE1 3.22Å; V633-E712 WeakPolarHBondContact CG2-OE1 3.48Å; V633-N1088 VanDerWaalsContact CG1-ND2 3.32Å; V633-N1088 WeakPolarHBondContact CG1-ND2 3.16Å |
| 634 | T | 61.6 | Low | 58.4 | Low | 73 Ų | 73 | 40.9 Ų | 40.9 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.3 | -38.2 | 178.1 | 19.8 | 0 | 0 | 0 | 0 | 114 | T632 E637 L638 | T632-T634 VanDerWaalsContact C-N 3.25Å; T632-T634 PolarHBondContact O-N 2.9Å; T632-T634 PolarHBondContact OG1-N 2.7Å; T632-T634 PolarHBondContact OG1-OG1 3Å; T634-E637 PolarHBondContact O-N 2.68Å; T634-L638 WeakPolarHBondContact O-CB 3.35Å; T634-L638 VanDerWaalsContact O-CG 3.27Å; T634-L638 WeakPolarHBondContact O-CG 3.25Å; T634-L638 PolarHBondContact O-N 3.4Å |
| 635 | D | 63.2 | Low | 59.3 | Low | 44 Ų | 44 | 45.1 Ų | 45.1 | 24% | 0.235 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.9 | -38.8 | -177.5 | -56.7 | -59.5 | 0 | 0 | 0 | 112.1 | T632 V633 E637 F639 | T632-D635 VanDerWaalsContact CB-OD2 3.31Å; T632-D635 WeakPolarHBondContact CB-OD2 3.12Å; T632-D635 WeakPolarHBondContact CG2-OD2 3.35Å; T632-D635 PolarHBondContact N-OD2 2.69Å; T632-D635 PolarHBondContact O-N 3.11Å; T632-D635 VanDerWaalsContact O-N 3.15Å; T632-D635 VanDerWaalsContact OG1-CG 3.28Å; T632-D635 PolarHBondContact OG1-N 3.25Å; T632-D635 PolarHBondContact OG1-OD2 2.88Å; V633-D635 VanDerWaalsContact C-N 3.34Å; V633-D635 PolarHBondContact O-N 2.75Å; D635-E637 VanDerWaalsContact C-N 3.26Å; D635-E637 PolarHBondContact O-N 2.78Å; D635-F639 WeakPolarHBondContact O-CB 3.5Å; D635-F639 PolarHBondContact O-N 3.18Å |
| 636 | I | 63.1 | Low | 60.3 | Low | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -34.6 | 176.1 | -56.2 | 170.6 | 0 | 0 | 0 | 110.3 | P629 T632 V633 F639 I640 L701 R704 L705 L708 | P629-I636 HydrophobicContact CB-CG1 4.26Å; T632-I636 PolarHBondContact O-N 3.07Å; V633-I636 PolarHBondContact O-N 3.38Å; I636-F639 WeakPolarHBondContact O-CB 3.17Å; I636-F639 PolarHBondContact O-N 2.91Å; I636-I640 HydrophobicContact CG2-CD1 4.19Å; I636-I640 VanDerWaalsContact O-CG1 3.3Å; I636-I640 WeakPolarHBondContact O-CG1 3.33Å; I636-I640 PolarHBondContact O-N 2.87Å; I636-L701 HydrophobicContact CG2-CD2 4.2Å; I636-R704 HydrophobicContact CD1-CB 4.46Å; I636-R704 HydrophobicContact CD1-CG 3.94Å; I636-L705 HydrophobicContact CB-CD1 4.43Å; I636-L705 HydrophobicContact CG2-CB 3.91Å; I636-L708 HydrophobicContact CD1-CB 4.44Å; I636-L708 HydrophobicContact CD1-CD2 3.65Å |
| 637 | E | 59.7 | Low | 61.8 | Low | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -81.3 | -36.3 | -178.7 | -67.9 | 173.7 | 133.1 | 0 | 0 | 113.1 | V633 T634 D635 F639 I640 S641 L705 N1088 T1090 C1091 | V633-E637 WeakPolarHBondContact CG1-OE2 3.45Å; V633-E637 WeakPolarHBondContact O-CG 3.49Å; V633-E637 PolarHBondContact O-N 2.98Å; T634-E637 PolarHBondContact O-N 2.68Å; D635-E637 VanDerWaalsContact C-N 3.26Å; D635-E637 PolarHBondContact O-N 2.78Å; E637-F639 VanDerWaalsContact C-N 3.26Å; E637-F639 PolarHBondContact O-N 2.85Å; E637-I640 PolarHBondContact O-N 2.9Å; E637-S641 WeakPolarHBondContact O-CB 3.06Å; E637-S641 PolarHBondContact O-N 2.92Å; E637-L705 HydrophobicContact CG-CD1 3.72Å; E637-L705 HydrophobicContact CG-CD2 3.57Å; E637-L705 HydrophobicContact CG-CG 4.3Å; E637-N1088 WeakPolarHBondContact OE1-CB 3.12Å; E637-N1088 PolarHBondContact OE1-ND2 3.31Å; E637-T1090 VanDerWaalsContact CD-OG1 3.27Å; E637-T1090 WeakPolarHBondContact OE2-CB 3.34Å; E637-T1090 PolarHBondContact OE2-OG1 2.85Å; E637-C1091 HydrophobicContact CG-CB 4.18Å; E637-C1091 WeakPolarHBondContact OE1-CB 3.1Å |
| 638 | L | 64.8 | Low | 63 | Low | 90 Ų | 90 | 42.6 Ų | 42.6 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.5 | -41.2 | 165.2 | -74.7 | 168.9 | 0 | 0 | 0 | 110.8 | T634 S641 E642 | T634-L638 WeakPolarHBondContact O-CB 3.35Å; T634-L638 VanDerWaalsContact O-CG 3.27Å; T634-L638 WeakPolarHBondContact O-CG 3.25Å; T634-L638 PolarHBondContact O-N 3.4Å; L638-S641 WeakPolarHBondContact O-CB 3.46Å; L638-S641 PolarHBondContact O-N 2.83Å; L638-E642 PolarHBondContact O-N 2.78Å |
| 639 | F | 64.4 | Low | 64.2 | Low | 13 Ų | 13 | 41 Ų | 41 | 6% | 0.057 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.8 | -52.2 | 173.1 | -165.4 | -70.2 | 0 | 0 | 0 | 111.6 | R627 P629 D635 I636 E637 S641 E642 H643 L701 Y2200 | R627-F639 HydrophobicContact CB-CE2 4.01Å; R627-F639 WeakPolarHBondContact O-CE2 3.23Å; P629-F639 HydrophobicContact CB-CB 3.97Å; P629-F639 HydrophobicContact CB-CD2 3.73Å; P629-F639 HydrophobicContact CB-CG 3.94Å; P629-F639 HydrophobicContact CG-CD2 4.1Å; P629-F639 HydrophobicContact CG-CG 4.44Å; D635-F639 WeakPolarHBondContact O-CB 3.5Å; D635-F639 PolarHBondContact O-N 3.18Å; I636-F639 WeakPolarHBondContact O-CB 3.17Å; I636-F639 PolarHBondContact O-N 2.91Å; E637-F639 VanDerWaalsContact C-N 3.26Å; E637-F639 PolarHBondContact O-N 2.85Å; F639-S641 PolarHBondContact O-N 2.92Å; F639-E642 PolarHBondContact O-N 3.01Å; F639-H643 HydrophobicContact CD1-CB 4.36Å; F639-H643 HydrophobicContact CE1-CB 4.3Å; F639-H643 AromaticContact CE1-CD2 3.66Å; F639-H643 WeakPolarHBondContact O-CB 3.24Å; F639-H643 PolarHBondContact O-N 2.93Å; F639-L701 HydrophobicContact CB-CD2 4.28Å; F639-L701 HydrophobicContact CD1-CD1 3.45Å; F639-L701 VanDerWaalsContact CD1-CD1 3.45Å; F639-L701 HydrophobicContact CD1-CD2 3.47Å; F639-L701 VanDerWaalsContact CD1-CD2 3.47Å; F639-L701 HydrophobicContact CD1-CG 4.11Å; F639-L701 HydrophobicContact CE1-CD1 3.51Å; F639-L701 HydrophobicContact CE1-CD2 4.04Å; F639-L701 HydrophobicContact CE1-CG 4.4Å; F639-L701 HydrophobicContact CG-CD2 3.87Å; F639-Y2200 HydrophobicContact CB-CE2 4.29Å; F639-Y2200 AromaticContact CD2-CD2 3.4Å; F639-Y2200 HydrophobicContact CD2-CD2 3.4Å; F639-Y2200 VanDerWaalsContact CD2-CD2 3.4Å; F639-Y2200 AromaticContact CD2-CE2 3.16Å; F639-Y2200 HydrophobicContact CD2-CE2 3.16Å; F639-Y2200 AromaticContact CE2-CD2 3.66Å; F639-Y2200 HydrophobicContact CE2-CD2 3.66Å; F639-Y2200 AromaticContact CE2-CE2 3.5Å; F639-Y2200 HydrophobicContact CE2-CE2 3.5Å; F639-Y2200 AromaticContact CG-CE2 3.97Å; F639-Y2200 HydrophobicContact CG-CE2 3.97Å |
| 640 | I | 65.5 | Low | 65.1 | Low | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.3 | -38.9 | 178.2 | -68.6 | 160.6 | 0 | 0 | 0 | 110.8 | I636 E637 H643 D644 L701 L705 | I636-I640 HydrophobicContact CG2-CD1 4.19Å; I636-I640 VanDerWaalsContact O-CG1 3.3Å; I636-I640 WeakPolarHBondContact O-CG1 3.33Å; I636-I640 PolarHBondContact O-N 2.87Å; E637-I640 PolarHBondContact O-N 2.9Å; I640-H643 PolarHBondContact O-N 3.4Å; I640-D644 WeakPolarHBondContact O-CB 2.88Å; I640-D644 PolarHBondContact O-N 2.81Å; I640-L701 HydrophobicContact CD1-CB 4.14Å; I640-L701 HydrophobicContact CG1-CB 3.85Å; I640-L705 HydrophobicContact CD1-CD2 4.12Å |
| 641 | S | 61.4 | Low | 66.1 | Low | 42 Ų | 42 | 42.6 Ų | 42.6 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -42.4 | 176.7 | -171.6 | 0 | 0 | 0 | 0 | 113.4 | E637 L638 F639 K645 | E637-S641 WeakPolarHBondContact O-CB 3.06Å; E637-S641 PolarHBondContact O-N 2.92Å; L638-S641 WeakPolarHBondContact O-CB 3.46Å; L638-S641 PolarHBondContact O-N 2.83Å; F639-S641 PolarHBondContact O-N 2.92Å; S641-K645 WeakPolarHBondContact O-CE 3.43Å; S641-K645 WeakPolarHBondContact O-CG 3.42Å; S641-K645 PolarHBondContact O-N 3.37Å |
| 642 | E | 64.5 | Low | 66.9 | Low | 55 Ų | 55 | 46.2 Ų | 46.2 | 26% | 0.257 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -75.1 | -28.6 | 174.7 | -75.4 | -179.4 | 76.5 | 0 | 0 | 112.6 | R627 L638 F639 K645 T646 Y2200 | R627-E642 IonicContact CZ-OE1 2.77Å; R627-E642 IonicContact NH1-OE1 3.59Å; R627-E642 PolarHBondContact NH1-OE1 3.31Å; R627-E642 IonicContact NH1-OE2 3.31Å; R627-E642 IonicContact NH2-OE1 3.93Å; R627-E642 PolarHBondContact NH2-OE1 2.8Å; L638-E642 PolarHBondContact O-N 2.78Å; F639-E642 PolarHBondContact O-N 3.01Å; E642-K645 HydrophobicContact CG-CD 4.18Å; E642-K645 PolarHBondContact O-N 3.23Å; E642-T646 PolarHBondContact O-N 3.23Å; E642-Y2200 WeakPolarHBondContact CB-OH 3.45Å; E642-Y2200 PolarHBondContact OE1-OH 2.82Å; E642-Y2200 PolarHBondContact OE2-OH 2.97Å |
| 643 | H | 68.7 | Low | 67.7 | Low | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 170.7 | -149.9 | -102 | 0 | 0 | 0 | 111.5 | F639 I640 K645 T646 K647 W694 Q697 | F639-H643 HydrophobicContact CD1-CB 4.36Å; F639-H643 HydrophobicContact CE1-CB 4.3Å; F639-H643 AromaticContact CE1-CD2 3.66Å; F639-H643 WeakPolarHBondContact O-CB 3.24Å; F639-H643 PolarHBondContact O-N 2.93Å; I640-H643 PolarHBondContact O-N 3.4Å; H643-K645 VanDerWaalsContact C-N 3.3Å; H643-K645 PolarHBondContact O-N 3.04Å; H643-T646 PolarHBondContact O-N 3.2Å; H643-T646 PolarHBondContact O-OG1 2.86Å; H643-K647 PolarHBondContact O-N 3.41Å; H643-W694 AromaticContact CE1-CD1 3.36Å; H643-W694 AromaticContact CE1-CG 3.82Å; H643-W694 AromaticContact CE1-NE1 3.5Å; H643-W694 PolarHBondContact CE1-O 3.08Å; H643-W694 AromaticContact CG-NE1 3.86Å; H643-W694 AromaticContact ND1-CD1 3.55Å; H643-W694 AromaticContact ND1-CE2 3.55Å; H643-W694 AromaticContact ND1-NE1 3.14Å; H643-W694 PolarHBondContact ND1-NE1 3.19Å; H643-W694 VanDerWaalsContact ND1-NE1 3.14Å; H643-W694 PolarHBondContact O-NE1 2.78Å; H643-Q697 PolarHBondContact NE2-OE1 2.78Å |
| 644 | D | 65.7 | Low | 68.9 | Low | 51 Ų | 51 | 46 Ų | 46 | 27% | 0.273 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -30 | 173.3 | -81.8 | -22.7 | 0 | 0 | 0 | 113.3 | I640 N648 W694 R698 | I640-D644 WeakPolarHBondContact O-CB 2.88Å; I640-D644 PolarHBondContact O-N 2.81Å; D644-N648 PolarHBondContact O-ND2 3.29Å; D644-W694 WeakPolarHBondContact OD1-CH2 3.41Å; D644-W694 WeakPolarHBondContact OD1-CZ2 3.41Å; D644-R698 IonicContact OD1-CZ 3.44Å; D644-R698 IonicContact OD1-NE 3.2Å; D644-R698 PolarHBondContact OD1-NE 2.87Å; D644-R698 IonicContact OD1-NH2 3.75Å; D644-R698 PolarHBondContact OD1-NH2 2.92Å; D644-R698 IonicContact OD2-CZ 3.78Å; D644-R698 IonicContact OD2-NE 2.69Å; D644-R698 IonicContact OD2-NH2 2.72Å; D644-R698 PolarHBondContact OD2-NH2 2.83Å |
| 645 | K | 70.6 | Confident | 69.5 | Low | 103 Ų | 103 | 46.5 Ų | 46.5 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.3 | -46.7 | 171.8 | -70.6 | 164.5 | -153.5 | 157.6 | 0 | 111.7 | S641 E642 H643 K647 N648 E649 | S641-K645 WeakPolarHBondContact O-CE 3.43Å; S641-K645 WeakPolarHBondContact O-CG 3.42Å; S641-K645 PolarHBondContact O-N 3.37Å; E642-K645 HydrophobicContact CG-CD 4.18Å; E642-K645 PolarHBondContact O-N 3.23Å; H643-K645 VanDerWaalsContact C-N 3.3Å; H643-K645 PolarHBondContact O-N 3.04Å; K645-K647 VanDerWaalsContact C-N 3.26Å; K645-K647 PolarHBondContact O-N 3.11Å; K645-N648 WeakPolarHBondContact O-CB 3.35Å; K645-N648 PolarHBondContact O-N 2.92Å; K645-E649 PolarHBondContact O-N 3.19Å; K645-E649 VanDerWaalsContact O-N 3.16Å |
| 646 | T | 71.6 | Confident | 70 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -27.1 | -176.3 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | L620 N624 E642 H643 N648 E649 A650 | L620-T646 HydrophobicContact CD2-CG2 4.36Å; N624-T646 WeakPolarHBondContact ND2-CG2 3.34Å; N624-T646 PolarHBondContact ND2-OG1 3.42Å; E642-T646 PolarHBondContact O-N 3.23Å; H643-T646 PolarHBondContact O-N 3.2Å; H643-T646 PolarHBondContact O-OG1 2.86Å; T646-N648 VanDerWaalsContact C-N 3.31Å; T646-N648 PolarHBondContact O-N 2.85Å; T646-E649 PolarHBondContact O-N 2.84Å; T646-A650 PolarHBondContact O-N 2.91Å |
| 647 | K | 71.4 | Confident | 70.6 | Confident | 68 Ų | 68 | 47 Ų | 47 | 30% | 0.296 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62 | -39.1 | 170.5 | 177.7 | 171.1 | 178.8 | 175.2 | 0 | 112.6 | H643 K645 E649 A650 N651 W694 | H643-K647 PolarHBondContact O-N 3.41Å; K645-K647 VanDerWaalsContact C-N 3.26Å; K645-K647 PolarHBondContact O-N 3.11Å; K647-E649 VanDerWaalsContact C-N 3.32Å; K647-A650 PolarHBondContact O-N 2.78Å; K647-N651 PolarHBondContact O-N 2.65Å; K647-N651 VanDerWaalsContact O-N 3.16Å; K647-N651 PolarHBondContact O-ND2 3.26Å; K647-W694 HydrophobicContact CB-CD2 4.28Å; K647-W694 HydrophobicContact CB-CH2 4.41Å; K647-W694 HydrophobicContact CB-CZ2 3.8Å; K647-W694 HydrophobicContact CD-CD2 4.17Å; K647-W694 HydrophobicContact CD-CE3 3.88Å; K647-W694 HydrophobicContact CD-CH2 3.49Å; K647-W694 VanDerWaalsContact CD-CH2 3.49Å; K647-W694 HydrophobicContact CD-CZ2 3.76Å; K647-W694 HydrophobicContact CD-CZ3 3.57Å; K647-W694 HydrophobicContact CG-CZ2 4.43Å |
| 648 | N | 71.1 | Confident | 71.4 | Confident | 99 Ų | 99 | 49.6 Ų | 49.6 | 53% | 0.529 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.7 | -30.3 | 176.4 | -63.2 | -41.2 | 0 | 0 | 0 | 111.6 | D644 K645 T646 K652 | D644-N648 PolarHBondContact O-ND2 3.29Å; K645-N648 WeakPolarHBondContact O-CB 3.35Å; K645-N648 PolarHBondContact O-N 2.92Å; T646-N648 VanDerWaalsContact C-N 3.31Å; T646-N648 PolarHBondContact O-N 2.85Å; N648-K652 VanDerWaalsContact O-CG 3.3Å; N648-K652 WeakPolarHBondContact O-CG 3.25Å; N648-K652 PolarHBondContact O-N 2.88Å; N648-K652 VanDerWaalsContact O-N 3.14Å |
| 649 | E | 74.9 | Confident | 71.8 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.8 | -40.1 | 173.3 | -64.6 | 175.1 | 155 | 0 | 0 | 112 | L620 K645 T646 K647 N651 K652 I653 | L620-E649 HydrophobicContact CD1-CB 3.97Å; L620-E649 HydrophobicContact CD2-CB 3.85Å; L620-E649 WeakPolarHBondContact CD2-OE2 3.5Å; K645-E649 PolarHBondContact O-N 3.19Å; K645-E649 VanDerWaalsContact O-N 3.16Å; T646-E649 PolarHBondContact O-N 2.84Å; K647-E649 VanDerWaalsContact C-N 3.32Å; E649-N651 PolarHBondContact O-N 2.69Å; E649-K652 WeakPolarHBondContact O-CB 3.08Å; E649-K652 PolarHBondContact O-N 2.8Å; E649-I653 WeakPolarHBondContact O-CG1 3.33Å; E649-I653 PolarHBondContact O-N 2.73Å |
| 650 | A | 74.5 | Confident | 72 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L617 L620 T646 K647 I653 F654 L687 W690 | L617-A650 HydrophobicContact CD2-CB 3.81Å; L620-A650 HydrophobicContact CD1-CB 3.79Å; L620-A650 VanDerWaalsContact CD1-N 3.35Å; T646-A650 PolarHBondContact O-N 2.91Å; K647-A650 PolarHBondContact O-N 2.78Å; A650-I653 PolarHBondContact O-N 3.38Å; A650-F654 PolarHBondContact O-N 3.02Å; A650-F654 VanDerWaalsContact O-N 3.12Å; A650-L687 HydrophobicContact CB-CD1 3.97Å; A650-W690 HydrophobicContact CB-CD2 4.27Å; A650-W690 HydrophobicContact CB-CE3 3.77Å; A650-W690 HydrophobicContact CB-CH2 3.85Å; A650-W690 HydrophobicContact CB-CZ2 4.29Å; A650-W690 HydrophobicContact CB-CZ3 3.56Å |
| 651 | N | 76.2 | Confident | 72.2 | Confident | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 173.6 | -71 | -26.6 | 0 | 0 | 0 | 111.8 | K647 E649 I653 F654 D655 | K647-N651 PolarHBondContact O-N 2.65Å; K647-N651 VanDerWaalsContact O-N 3.16Å; K647-N651 PolarHBondContact O-ND2 3.26Å; E649-N651 PolarHBondContact O-N 2.69Å; N651-I653 VanDerWaalsContact C-N 3.32Å; N651-I653 PolarHBondContact O-N 2.88Å; N651-F654 PolarHBondContact O-N 2.77Å; N651-D655 PolarHBondContact O-N 3.48Å |
| 652 | K | 76.2 | Confident | 72.5 | Confident | 126 Ų | 126 | 54.5 Ų | 54.5 | 55% | 0.548 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 175.7 | -76.8 | 172.4 | 176.8 | -176 | 0 | 112.9 | N648 E649 D655 E656 | N648-K652 VanDerWaalsContact O-CG 3.3Å; N648-K652 WeakPolarHBondContact O-CG 3.25Å; N648-K652 PolarHBondContact O-N 2.88Å; N648-K652 VanDerWaalsContact O-N 3.14Å; E649-K652 WeakPolarHBondContact O-CB 3.08Å; E649-K652 PolarHBondContact O-N 2.8Å; K652-D655 PolarHBondContact O-N 2.8Å; K652-E656 WeakPolarHBondContact O-CB 3.41Å; K652-E656 PolarHBondContact O-N 2.95Å |
| 653 | I | 76.2 | Confident | 72.5 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.7 | -71.5 | 162.3 | 0 | 0 | 0 | 110.4 | L613 A616 L620 E649 A650 N651 E656 F657 | L613-I653 HydrophobicContact CD1-CG2 4.03Å; A616-I653 HydrophobicContact CB-CD1 4.09Å; A616-I653 HydrophobicContact CB-CG2 3.86Å; L620-I653 HydrophobicContact CD1-CD1 3.57Å; L620-I653 HydrophobicContact CG-CD1 4.05Å; E649-I653 WeakPolarHBondContact O-CG1 3.33Å; E649-I653 PolarHBondContact O-N 2.73Å; A650-I653 PolarHBondContact O-N 3.38Å; N651-I653 VanDerWaalsContact C-N 3.32Å; N651-I653 PolarHBondContact O-N 2.88Å; I653-E656 PolarHBondContact O-N 3.36Å; I653-F657 WeakPolarHBondContact O-CB 3.44Å; I653-F657 PolarHBondContact O-N 3.33Å |
| 654 | F | 80.9 | Confident | 72 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 11% | 0.114 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 175.9 | 178.8 | -97.3 | 0 | 0 | 0 | 112.7 | A650 N651 E656 F657 K658 L680 A683 K684 L687 | A650-F654 PolarHBondContact O-N 3.02Å; A650-F654 VanDerWaalsContact O-N 3.12Å; N651-F654 PolarHBondContact O-N 2.77Å; F654-E656 VanDerWaalsContact C-N 3.33Å; F654-E656 PolarHBondContact O-N 2.84Å; F654-F657 PolarHBondContact O-N 3.11Å; F654-K658 WeakPolarHBondContact O-CB 3.47Å; F654-K658 PolarHBondContact O-N 2.69Å; F654-L680 HydrophobicContact CE2-CD2 4.13Å; F654-L680 HydrophobicContact CZ-CD2 3.86Å; F654-A683 HydrophobicContact CD2-CB 4.42Å; F654-A683 HydrophobicContact CE2-CB 4.01Å; F654-K684 HydrophobicContact CE2-CB 3.88Å; F654-K684 HydrophobicContact CZ-CB 3.83Å; F654-K684 HydrophobicContact CZ-CG 4.43Å; F654-L687 HydrophobicContact CB-CD1 4.43Å; F654-L687 HydrophobicContact CB-CD2 3.8Å; F654-L687 HydrophobicContact CD1-CD2 4.01Å; F654-L687 HydrophobicContact CD2-CB 4.45Å; F654-L687 HydrophobicContact CD2-CD2 4.31Å; F654-L687 HydrophobicContact CG-CD2 3.76Å |
| 655 | D | 75.1 | Confident | 71.5 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 176 | -76.4 | -31.4 | 0 | 0 | 0 | 112.3 | N651 K652 K658 R659 | N651-D655 PolarHBondContact O-N 3.48Å; K652-D655 PolarHBondContact O-N 2.8Å; D655-K658 PolarHBondContact O-N 2.98Å; D655-R659 WeakPolarHBondContact O-CG 3.29Å; D655-R659 PolarHBondContact O-N 2.95Å |
| 656 | E | 74 | Confident | 70.7 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.1 | -38.4 | 177.4 | -167.6 | 61.1 | -155.8 | 0 | 0 | 111.8 | K652 I653 F654 R659 Q660 | K652-E656 WeakPolarHBondContact O-CB 3.41Å; K652-E656 PolarHBondContact O-N 2.95Å; I653-E656 PolarHBondContact O-N 3.36Å; F654-E656 VanDerWaalsContact C-N 3.33Å; F654-E656 PolarHBondContact O-N 2.84Å; E656-R659 WeakPolarHBondContact O-CB 3.47Å; E656-R659 PolarHBondContact O-N 2.85Å; E656-R659 WeakPolarHBondContact OE2-CD 3.49Å; E656-R659 IonicContact OE2-CZ 2.67Å; E656-R659 IonicContact OE2-NH1 3.13Å; E656-R659 PolarHBondContact OE2-NH1 2.86Å; E656-Q660 WeakPolarHBondContact O-CG 3.42Å; E656-Q660 PolarHBondContact O-N 2.82Å; E656-Q660 PolarHBondContact OE1-NE2 3.49Å |
| 657 | F | 75.9 | Confident | 69.5 | Low | 17 Ų | 17 | 65.3 Ų | 65.3 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 169.3 | 178.1 | -98.6 | 0 | 0 | 0 | 111.9 | N609 L613 I653 F654 R659 Q660 L661 I679 A683 | N609-F657 WeakPolarHBondContact O-CE2 3.36Å; L613-F657 HydrophobicContact CB-CD2 4.28Å; L613-F657 HydrophobicContact CB-CE2 4.29Å; L613-F657 HydrophobicContact CD1-CB 3.75Å; L613-F657 HydrophobicContact CD1-CD1 4.09Å; L613-F657 HydrophobicContact CD1-CD2 4.03Å; L613-F657 HydrophobicContact CD1-CG 3.71Å; I653-F657 WeakPolarHBondContact O-CB 3.44Å; I653-F657 PolarHBondContact O-N 3.33Å; F654-F657 PolarHBondContact O-N 3.11Å; F657-R659 PolarHBondContact O-N 2.85Å; F657-Q660 PolarHBondContact O-N 2.82Å; F657-L661 HydrophobicContact CD1-CD1 3.84Å; F657-L661 HydrophobicContact CE1-CD1 3.32Å; F657-L661 HydrophobicContact CE1-CG 4.39Å; F657-L661 HydrophobicContact CE2-CD1 4.42Å; F657-L661 HydrophobicContact CZ-CD1 3.68Å; F657-L661 HydrophobicContact CZ-CG 4.47Å; F657-L661 PolarHBondContact O-N 2.89Å; F657-I679 HydrophobicContact CE1-CG2 4.15Å; F657-I679 HydrophobicContact CZ-CG2 3.78Å; F657-A683 HydrophobicContact CD1-CB 3.88Å; F657-A683 HydrophobicContact CE1-CB 3.24Å; F657-A683 HydrophobicContact CZ-CB 3.98Å |
| 658 | K | 76.4 | Confident | 68.3 | Low | 54 Ų | 54 | 69.6 Ų | 69.6 | 24% | 0.235 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 174.7 | -177.8 | 168.1 | -174.8 | 173.1 | 0 | 112.1 | D412 F654 D655 Q660 N662 L680 | D412-K658 PolarHBondContact O-NZ 2.93Å; F654-K658 WeakPolarHBondContact O-CB 3.47Å; F654-K658 PolarHBondContact O-N 2.69Å; D655-K658 PolarHBondContact O-N 2.98Å; K658-Q660 VanDerWaalsContact C-N 3.33Å; K658-Q660 PolarHBondContact O-N 2.98Å; K658-N662 WeakPolarHBondContact O-CB 3.26Å; K658-N662 PolarHBondContact O-N 3.05Å; K658-N662 PolarHBondContact O-ND2 3.41Å; K658-L680 HydrophobicContact CB-CD2 3.82Å; K658-L680 HydrophobicContact CD-CD2 4.09Å; K658-L680 HydrophobicContact CG-CD1 4.09Å; K658-L680 HydrophobicContact CG-CD2 3.79Å |
| 659 | R | 73.6 | Confident | 67.3 | Low | 143 Ų | 143 | 67.8 Ų | 67.8 | 54% | 0.54 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 173.6 | -77.5 | 173.3 | -179 | 144.7 | 5.6 | 111.9 | D655 E656 F657 N662 L663 | D655-R659 WeakPolarHBondContact O-CG 3.29Å; D655-R659 PolarHBondContact O-N 2.95Å; E656-R659 WeakPolarHBondContact O-CB 3.47Å; E656-R659 PolarHBondContact O-N 2.85Å; E656-R659 WeakPolarHBondContact OE2-CD 3.49Å; E656-R659 IonicContact OE2-CZ 2.67Å; E656-R659 IonicContact OE2-NH1 3.13Å; E656-R659 PolarHBondContact OE2-NH1 2.86Å; F657-R659 PolarHBondContact O-N 2.85Å; R659-N662 CarbonylContact O-C 3.44Å; R659-N662 WeakPolarHBondContact O-CB 3.41Å; R659-N662 PolarHBondContact O-N 2.89Å; R659-L663 WeakPolarHBondContact O-CG 3.4Å; R659-L663 PolarHBondContact O-N 2.84Å |
| 660 | Q | 68.8 | Low | 65.9 | Low | 33 Ų | 33 | 68.2 Ų | 68.2 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.1 | -38.9 | -176.7 | -69.6 | 169.5 | 14 | 0 | 0 | 112 | L599 E656 F657 K658 N662 L663 I664 | L599-Q660 VanDerWaalsContact CD1-NE2 3.3Å; L599-Q660 VanDerWaalsContact CD1-OE1 3.29Å; E656-Q660 WeakPolarHBondContact O-CG 3.42Å; E656-Q660 PolarHBondContact O-N 2.82Å; E656-Q660 PolarHBondContact OE1-NE2 3.49Å; F657-Q660 PolarHBondContact O-N 2.82Å; K658-Q660 VanDerWaalsContact C-N 3.33Å; K658-Q660 PolarHBondContact O-N 2.98Å; Q660-N662 VanDerWaalsContact C-N 3.3Å; Q660-N662 PolarHBondContact O-N 2.97Å; Q660-L663 PolarHBondContact O-N 3.45Å; Q660-I664 WeakPolarHBondContact O-CD1 3.27Å; Q660-I664 WeakPolarHBondContact O-CG1 3.37Å; Q660-I664 PolarHBondContact O-N 3.4Å |
| 661 | L | 68.7 | Low | 64.6 | Low | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 169.1 | -74.3 | 169.2 | 0 | 0 | 0 | 112.6 | F657 L663 I664 F665 I679 L680 | F657-L661 HydrophobicContact CD1-CD1 3.84Å; F657-L661 HydrophobicContact CE1-CD1 3.32Å; F657-L661 HydrophobicContact CE1-CG 4.39Å; F657-L661 HydrophobicContact CE2-CD1 4.42Å; F657-L661 HydrophobicContact CZ-CD1 3.68Å; F657-L661 HydrophobicContact CZ-CG 4.47Å; F657-L661 PolarHBondContact O-N 2.89Å; L661-L663 VanDerWaalsContact C-N 3.25Å; L661-L663 PolarHBondContact O-N 2.84Å; L661-I664 PolarHBondContact O-N 3.44Å; L661-F665 HydrophobicContact CD2-CD2 3.99Å; L661-F665 HydrophobicContact CD2-CE2 3.54Å; L661-F665 HydrophobicContact CD2-CZ 4.37Å; L661-F665 WeakPolarHBondContact O-CB 3.47Å; L661-F665 WeakPolarHBondContact O-CD2 2.91Å; L661-F665 PolarHBondContact O-N 2.99Å; L661-F665 VanDerWaalsContact O-N 3.09Å; L661-I679 HydrophobicContact CD1-CB 4.35Å; L661-I679 HydrophobicContact CD1-CG2 3.56Å; L661-I679 HydrophobicContact CD2-CD1 4.46Å; L661-I679 HydrophobicContact CD2-CG2 4Å; L661-I679 HydrophobicContact CG-CG2 4.45Å; L661-L680 HydrophobicContact CB-CD1 4.48Å; L661-L680 HydrophobicContact CD1-CD1 4.26Å; L661-L680 HydrophobicContact CD1-CD2 4.37Å; L661-L680 HydrophobicContact CD1-CG 3.78Å |
| 662 | N | 67.6 | Low | 63.5 | Low | 73 Ų | 73 | 74.3 Ų | 74.3 | 39% | 0.39 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.2 | -20.6 | 173.2 | -76.6 | -26.7 | 0 | 0 | 0 | 114.2 | K658 R659 Q660 K676 | K658-N662 WeakPolarHBondContact O-CB 3.26Å; K658-N662 PolarHBondContact O-N 3.05Å; K658-N662 PolarHBondContact O-ND2 3.41Å; R659-N662 CarbonylContact O-C 3.44Å; R659-N662 WeakPolarHBondContact O-CB 3.41Å; R659-N662 PolarHBondContact O-N 2.89Å; Q660-N662 VanDerWaalsContact C-N 3.3Å; Q660-N662 PolarHBondContact O-N 2.97Å; N662-K676 WeakPolarHBondContact OD1-CE 3.49Å; N662-K676 PolarHBondContact OD1-NZ 2.76Å |
| 663 | L | 65.5 | Low | 62.4 | Low | 143 Ų | 143 | 69.4 Ų | 69.4 | 75% | 0.749 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -88.1 | -24.5 | 174.3 | -72.1 | 166.8 | 0 | 0 | 0 | 113.2 | R659 Q660 L661 | R659-L663 WeakPolarHBondContact O-CG 3.4Å; R659-L663 PolarHBondContact O-N 2.84Å; Q660-L663 PolarHBondContact O-N 3.45Å; L661-L663 VanDerWaalsContact C-N 3.25Å; L661-L663 PolarHBondContact O-N 2.84Å |
| 664 | I | 56.4 | Low | 61.5 | Low | 62 Ų | 62 | 71.1 Ų | 71.1 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -88.6 | -37.2 | -176.7 | -67.7 | 161.4 | 0 | 0 | 0 | 111.6 | M604 Q660 L661 N666 | M604-I664 HydrophobicContact CE-CB 4.37Å; M604-I664 HydrophobicContact CE-CD1 3.88Å; M604-I664 HydrophobicContact CE-CG1 3.81Å; M604-I664 HydrophobicContact CE-CG2 3.63Å; M604-I664 HydrophobicContact SD-CB 4.44Å; M604-I664 HydrophobicContact SD-CG1 4.02Å; M604-I664 HydrophobicContact SD-CG2 3.85Å; Q660-I664 WeakPolarHBondContact O-CD1 3.27Å; Q660-I664 WeakPolarHBondContact O-CG1 3.37Å; Q660-I664 PolarHBondContact O-N 3.4Å; L661-I664 PolarHBondContact O-N 3.44Å; I664-N666 PolarHBondContact O-N 3.21Å |
| 665 | F | 56 | Low | 60.3 | Low | 38 Ų | 38 | 72.7 Ų | 72.7 | 17% | 0.167 | 38% | 0.379 | C | S | . | . | trans | -99.5 | 89.9 | -170.3 | -73.4 | -110.7 | 0 | 0 | 0 | 111.8 | L661 I672 K676 I679 | L661-F665 HydrophobicContact CD2-CD2 3.99Å; L661-F665 HydrophobicContact CD2-CE2 3.54Å; L661-F665 HydrophobicContact CD2-CZ 4.37Å; L661-F665 WeakPolarHBondContact O-CB 3.47Å; L661-F665 WeakPolarHBondContact O-CD2 2.91Å; L661-F665 PolarHBondContact O-N 2.99Å; L661-F665 VanDerWaalsContact O-N 3.09Å; F665-I672 HydrophobicContact CB-CG2 4.12Å; F665-I672 HydrophobicContact CD1-CG2 3.44Å; F665-I672 VanDerWaalsContact CD1-CG2 3.44Å; F665-I672 VanDerWaalsContact CD1-O 3.31Å; F665-I672 WeakPolarHBondContact CD1-O 3.43Å; F665-I672 HydrophobicContact CE1-CG2 4.24Å; F665-I672 HydrophobicContact CG-CG2 4.18Å; F665-K676 HydrophobicContact CB-CB 4.37Å; F665-K676 HydrophobicContact CB-CD 3.98Å; F665-K676 HydrophobicContact CB-CG 4.35Å; F665-K676 HydrophobicContact CD1-CB 3.66Å; F665-K676 HydrophobicContact CD1-CG 4.44Å; F665-K676 HydrophobicContact CE1-CB 4.15Å; F665-K676 HydrophobicContact CG-CB 4.04Å; F665-K676 HydrophobicContact CG-CD 4.48Å; F665-K676 HydrophobicContact CG-CG 4.33Å; F665-I679 HydrophobicContact CE1-CD1 4.49Å; F665-I679 HydrophobicContact CZ-CD1 3.85Å | ||
| 666 | N | 53.2 | Low | 59.8 | Low | 130 Ų | 130 | 69.1 Ų | 69.1 | 70% | 0.695 | 36% | 0.359 | S | S | * | . | trans | -63.7 | 143.7 | 169.3 | -75.8 | -39.6 | 0 | 0 | 0 | 111.4 | I664 D668 | I664-N666 PolarHBondContact O-N 3.21Å; N666-D668 PolarHBondContact O-N 2.98Å | ||
| 667 | E | 46.5 | Very low | 59.4 | Low | 72 Ų | 72 | 70.1 Ų | 70.1 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2 | -158.9 | -52.9 | -166.1 | 112.3 | 0 | 0 | 116.3 | L408 S410 D669 | L408-E667 HydrophobicContact CD2-CB 4.4Å; S410-E667 WeakPolarHBondContact CB-OE1 3.44Å; S410-E667 PolarHBondContact OG-OE1 2.97Å; E667-D669 PolarHBondContact O-N 3.12Å |
| 668 | D | 47.6 | Very low | 59 | Low | 158 Ų | 158 | 73.4 Ų | 73.4 | 85% | 0.845 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -4.7 | -166.6 | -71.4 | -48.9 | 0 | 0 | 0 | 116.4 | N666 | N666-D668 PolarHBondContact O-N 2.98Š|
| 669 | D | 50 | Low | 58.5 | Low | 62 Ų | 62 | 72.6 Ų | 72.6 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | trans | -123.7 | 125.8 | 179.8 | -173.8 | -18.1 | 0 | 0 | 0 | 113.2 | E667 N671 I672 K673 | E667-D669 PolarHBondContact O-N 3.12Å; D669-N671 VanDerWaalsContact C-N 3.26Å; D669-N671 PolarHBondContact O-N 3.14Å; D669-N671 PolarHBondContact OD1-N 2.99Å; D669-I672 HydrophobicContact CB-CB 4.03Å; D669-I672 HydrophobicContact CB-CD1 3.84Å; D669-I672 HydrophobicContact CB-CG1 3.83Å; D669-I672 PolarHBondContact O-N 3.19Å; D669-I672 VanDerWaalsContact O-N 3.16Å; D669-K673 WeakPolarHBondContact O-CG 3.36Å; D669-K673 PolarHBondContact O-N 3.21Å | ||
| 670 | S | 44.3 | Very low | 58.5 | Low | 83 Ų | 83 | 66.2 Ų | 66.2 | 58% | 0.58 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -47.1 | -38.5 | 172.4 | 41.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 671 | N | 46.6 | Very low | 58.7 | Low | 113 Ų | 113 | 70 Ų | 70 | 60% | 0.604 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -80.3 | -33.3 | -177.7 | -62.9 | -50 | 0 | 0 | 0 | 112.3 | D669 K673 S675 | D669-N671 VanDerWaalsContact C-N 3.26Å; D669-N671 PolarHBondContact O-N 3.14Å; D669-N671 PolarHBondContact OD1-N 2.99Å; N671-K673 VanDerWaalsContact C-N 3.3Å; N671-K673 PolarHBondContact O-N 3.25Å; N671-S675 WeakPolarHBondContact O-CB 3.35Å; N671-S675 PolarHBondContact O-N 3.32Å; N671-S675 VanDerWaalsContact O-N 3.14Å; N671-S675 PolarHBondContact O-OG 3.05Å |
| 672 | I | 53.7 | Low | 58.8 | Low | 67 Ų | 67 | 73.6 Ų | 73.6 | 34% | 0.344 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65 | -37.7 | 178.9 | -70.4 | -174 | 0 | 0 | 0 | 109.8 | F665 D669 S675 K676 | F665-I672 HydrophobicContact CB-CG2 4.12Å; F665-I672 HydrophobicContact CD1-CG2 3.44Å; F665-I672 VanDerWaalsContact CD1-CG2 3.44Å; F665-I672 VanDerWaalsContact CD1-O 3.31Å; F665-I672 WeakPolarHBondContact CD1-O 3.43Å; F665-I672 HydrophobicContact CE1-CG2 4.24Å; F665-I672 HydrophobicContact CG-CG2 4.18Å; D669-I672 HydrophobicContact CB-CB 4.03Å; D669-I672 HydrophobicContact CB-CD1 3.84Å; D669-I672 HydrophobicContact CB-CG1 3.83Å; D669-I672 PolarHBondContact O-N 3.19Å; D669-I672 VanDerWaalsContact O-N 3.16Å; I672-S675 WeakPolarHBondContact O-CB 3.41Å; I672-S675 PolarHBondContact O-N 2.84Å; I672-K676 WeakPolarHBondContact O-CB 3.35Å; I672-K676 PolarHBondContact O-N 3.34Å |
| 673 | K | 53.9 | Low | 59 | Low | 23 Ų | 23 | 70.1 Ų | 70.1 | 10% | 0.1 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.5 | -50.5 | 175.7 | -58.2 | 156 | 58.7 | -76 | 0 | 114 | L409 E411 D669 N671 S675 K676 Q677 | L409-K673 HydrophobicContact CB-CD 4.44Å; L409-K673 WeakPolarHBondContact O-CD 3.34Å; L409-K673 WeakPolarHBondContact O-CE 3.46Å; L409-K673 WeakPolarHBondContact O-CG 3.43Å; E411-K673 IonicContact OE1-NZ 3.96Å; E411-K673 PolarHBondContact OE1-NZ 3.14Å; E411-K673 VanDerWaalsContact OE2-C 3.25Å; E411-K673 WeakPolarHBondContact OE2-CB 3.39Å; E411-K673 IonicContact OE2-NZ 2.72Å; E411-K673 PolarHBondContact OE2-NZ 2.94Å; D669-K673 WeakPolarHBondContact O-CG 3.36Å; D669-K673 PolarHBondContact O-N 3.21Å; N671-K673 VanDerWaalsContact C-N 3.3Å; N671-K673 PolarHBondContact O-N 3.25Å; K673-S675 PolarHBondContact O-N 2.87Å; K673-K676 WeakPolarHBondContact O-CB 3.11Å; K673-K676 PolarHBondContact O-N 3.42Å; K673-K676 VanDerWaalsContact O-N 3.08Å; K673-Q677 PolarHBondContact O-N 3.33Å |
| 674 | V | 57.7 | Low | 59.5 | Low | 72 Ų | 72 | 68 Ų | 68 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 179.6 | 179 | 0 | 0 | 0 | 0 | 110.4 | E411 N678 | E411-V674 PolarHBondContact OE2-N 3.33Å; V674-N678 WeakPolarHBondContact O-CB 3.45Å; V674-N678 VanDerWaalsContact O-CG 3.23Å; V674-N678 PolarHBondContact O-N 3.39Å; V674-N678 PolarHBondContact O-ND2 3.2Å |
| 675 | S | 55.3 | Low | 60.4 | Low | 59 Ų | 59 | 70.5 Ų | 70.5 | 41% | 0.413 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -51.2 | 171.5 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | N671 I672 K673 Q677 N678 I679 | N671-S675 WeakPolarHBondContact O-CB 3.35Å; N671-S675 PolarHBondContact O-N 3.32Å; N671-S675 VanDerWaalsContact O-N 3.14Å; N671-S675 PolarHBondContact O-OG 3.05Å; I672-S675 WeakPolarHBondContact O-CB 3.41Å; I672-S675 PolarHBondContact O-N 2.84Å; K673-S675 PolarHBondContact O-N 2.87Å; S675-Q677 VanDerWaalsContact C-N 3.35Å; S675-Q677 PolarHBondContact O-N 3.33Å; S675-N678 PolarHBondContact O-N 2.93Å; S675-I679 VanDerWaalsContact O-CD1 3.31Å; S675-I679 WeakPolarHBondContact O-CD1 3.19Å; S675-I679 WeakPolarHBondContact O-CG1 3.36Å; S675-I679 PolarHBondContact O-N 3.32Å; S675-I679 VanDerWaalsContact O-N 3.09Å |
| 676 | K | 64.1 | Low | 61.3 | Low | 8 Ų | 8 | 71.2 Ų | 71.2 | 4% | 0.035 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -53.7 | -48.4 | 175.5 | 177.7 | -174.2 | 175.5 | 176.1 | 0 | 112 | S410 N662 F665 I672 K673 I679 L680 | S410-K676 PolarHBondContact OG-NZ 2.71Å; N662-K676 WeakPolarHBondContact OD1-CE 3.49Å; N662-K676 PolarHBondContact OD1-NZ 2.76Å; F665-K676 HydrophobicContact CB-CB 4.37Å; F665-K676 HydrophobicContact CB-CD 3.98Å; F665-K676 HydrophobicContact CB-CG 4.35Å; F665-K676 HydrophobicContact CD1-CB 3.66Å; F665-K676 HydrophobicContact CD1-CG 4.44Å; F665-K676 HydrophobicContact CE1-CB 4.15Å; F665-K676 HydrophobicContact CG-CB 4.04Å; F665-K676 HydrophobicContact CG-CD 4.48Å; F665-K676 HydrophobicContact CG-CG 4.33Å; I672-K676 WeakPolarHBondContact O-CB 3.35Å; I672-K676 PolarHBondContact O-N 3.34Å; K673-K676 WeakPolarHBondContact O-CB 3.11Å; K673-K676 PolarHBondContact O-N 3.42Å; K673-K676 VanDerWaalsContact O-N 3.08Å; K676-I679 PolarHBondContact O-N 2.92Å; K676-L680 PolarHBondContact O-N 2.75Å |
| 677 | Q | 64.8 | Low | 62.6 | Low | 59 Ų | 59 | 65.4 Ų | 65.4 | 28% | 0.276 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | -174.7 | -172.6 | 154 | 71.3 | 0 | 0 | 113.2 | E411 D412 K673 S675 I679 L680 L681 | E411-Q677 HydrophobicContact CB-CB 4Å; E411-Q677 HydrophobicContact CB-CG 4.34Å; D412-Q677 WeakPolarHBondContact OD1-CG 3.46Å; D412-Q677 PolarHBondContact OD1-NE2 3.09Å; D412-Q677 WeakPolarHBondContact OD2-CA 3.28Å; K673-Q677 PolarHBondContact O-N 3.33Å; S675-Q677 VanDerWaalsContact C-N 3.35Å; S675-Q677 PolarHBondContact O-N 3.33Å; Q677-I679 VanDerWaalsContact C-N 3.34Å; Q677-L680 PolarHBondContact O-N 3.4Å; Q677-L681 VanDerWaalsContact O-CB 3.3Å; Q677-L681 WeakPolarHBondContact O-CB 3.19Å; Q677-L681 PolarHBondContact O-N 2.97Å |
| 678 | N | 68.3 | Low | 63.9 | Low | 87 Ų | 87 | 65.5 Ų | 65.5 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 171.9 | -69.6 | -17.7 | 0 | 0 | 0 | 111 | V674 S675 L680 L681 D682 | V674-N678 WeakPolarHBondContact O-CB 3.45Å; V674-N678 VanDerWaalsContact O-CG 3.23Å; V674-N678 PolarHBondContact O-N 3.39Å; V674-N678 PolarHBondContact O-ND2 3.2Å; S675-N678 PolarHBondContact O-N 2.93Å; N678-L680 VanDerWaalsContact C-N 3.33Å; N678-L680 PolarHBondContact O-N 2.74Å; N678-L681 PolarHBondContact O-N 3.37Å; N678-D682 WeakPolarHBondContact O-CB 3.45Å; N678-D682 PolarHBondContact O-N 2.87Å |
| 679 | I | 67.1 | Low | 65.1 | Low | 37 Ų | 37 | 62.7 Ų | 62.7 | 19% | 0.19 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 178.5 | -63.8 | 160.7 | 0 | 0 | 0 | 111.2 | F610 F657 L661 F665 S675 K676 Q677 A683 | F610-I679 HydrophobicContact CE2-CB 4.23Å; F610-I679 HydrophobicContact CE2-CG1 4.08Å; F610-I679 HydrophobicContact CE2-CG2 3.81Å; F610-I679 HydrophobicContact CZ-CB 4.28Å; F610-I679 HydrophobicContact CZ-CG2 3.82Å; F610-I679 WeakPolarHBondContact CZ-O 3.47Å; F657-I679 HydrophobicContact CE1-CG2 4.15Å; F657-I679 HydrophobicContact CZ-CG2 3.78Å; L661-I679 HydrophobicContact CD1-CB 4.35Å; L661-I679 HydrophobicContact CD1-CG2 3.56Å; L661-I679 HydrophobicContact CD2-CD1 4.46Å; L661-I679 HydrophobicContact CD2-CG2 4Å; L661-I679 HydrophobicContact CG-CG2 4.45Å; F665-I679 HydrophobicContact CE1-CD1 4.49Å; F665-I679 HydrophobicContact CZ-CD1 3.85Å; S675-I679 VanDerWaalsContact O-CD1 3.31Å; S675-I679 WeakPolarHBondContact O-CD1 3.19Å; S675-I679 WeakPolarHBondContact O-CG1 3.36Å; S675-I679 PolarHBondContact O-N 3.32Å; S675-I679 VanDerWaalsContact O-N 3.09Å; K676-I679 PolarHBondContact O-N 2.92Å; Q677-I679 VanDerWaalsContact C-N 3.34Å; I679-A683 WeakPolarHBondContact O-CB 3.34Å; I679-A683 PolarHBondContact O-N 3.2Å |
| 680 | L | 71.9 | Confident | 66.6 | Low | 8 Ų | 8 | 61.2 Ų | 61.2 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.8 | -30.7 | 178.9 | -96.7 | 162.5 | 0 | 0 | 0 | 113.6 | D412 F654 K658 L661 K676 Q677 N678 K684 | D412-L680 HydrophobicContact CB-CD1 4.05Å; D412-L680 WeakPolarHBondContact OD2-CB 3.44Å; D412-L680 WeakPolarHBondContact OD2-CD1 3.28Å; F654-L680 HydrophobicContact CE2-CD2 4.13Å; F654-L680 HydrophobicContact CZ-CD2 3.86Å; K658-L680 HydrophobicContact CB-CD2 3.82Å; K658-L680 HydrophobicContact CD-CD2 4.09Å; K658-L680 HydrophobicContact CG-CD1 4.09Å; K658-L680 HydrophobicContact CG-CD2 3.79Å; L661-L680 HydrophobicContact CB-CD1 4.48Å; L661-L680 HydrophobicContact CD1-CD1 4.26Å; L661-L680 HydrophobicContact CD1-CD2 4.37Å; L661-L680 HydrophobicContact CD1-CG 3.78Å; K676-L680 PolarHBondContact O-N 2.75Å; Q677-L680 PolarHBondContact O-N 3.4Å; N678-L680 VanDerWaalsContact C-N 3.33Å; N678-L680 PolarHBondContact O-N 2.74Å; L680-K684 VanDerWaalsContact O-CB 3.28Å; L680-K684 WeakPolarHBondContact O-CB 3.39Å; L680-K684 PolarHBondContact O-N 2.64Å |
| 681 | L | 72.9 | Confident | 67.9 | Low | 112 Ų | 112 | 58.9 Ų | 58.9 | 59% | 0.586 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.2 | -51 | 173.3 | -175.4 | 65.8 | 0 | 0 | 0 | 111.4 | Q677 N678 A683 K684 Q685 | Q677-L681 VanDerWaalsContact O-CB 3.3Å; Q677-L681 WeakPolarHBondContact O-CB 3.19Å; Q677-L681 PolarHBondContact O-N 2.97Å; N678-L681 PolarHBondContact O-N 3.37Å; L681-A683 PolarHBondContact O-N 3.24Å; L681-K684 PolarHBondContact O-N 3.09Å; L681-Q685 PolarHBondContact O-N 3.02Å |
| 682 | D | 71.5 | Confident | 69.1 | Low | 79 Ų | 79 | 58 Ų | 58 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -43 | 178 | -73.5 | -18.2 | 0 | 0 | 0 | 111.4 | F610 N678 K684 Q685 L686 | F610-D682 HydrophobicContact CE1-CB 3.82Å; F610-D682 HydrophobicContact CZ-CB 3.58Å; N678-D682 WeakPolarHBondContact O-CB 3.45Å; N678-D682 PolarHBondContact O-N 2.87Å; D682-K684 VanDerWaalsContact C-N 3.32Å; D682-K684 PolarHBondContact O-N 2.83Å; D682-Q685 PolarHBondContact O-N 2.94Å; D682-L686 PolarHBondContact O-N 3.16Å |
| 683 | A | 72.2 | Confident | 69.9 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64 | -36.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F610 L613 F654 F657 I679 L681 L686 L687 | F610-A683 HydrophobicContact CE1-CB 4.27Å; L613-A683 HydrophobicContact CD2-CB 3.68Å; F654-A683 HydrophobicContact CD2-CB 4.42Å; F654-A683 HydrophobicContact CE2-CB 4.01Å; F657-A683 HydrophobicContact CD1-CB 3.88Å; F657-A683 HydrophobicContact CE1-CB 3.24Å; F657-A683 HydrophobicContact CZ-CB 3.98Å; I679-A683 WeakPolarHBondContact O-CB 3.34Å; I679-A683 PolarHBondContact O-N 3.2Å; L681-A683 PolarHBondContact O-N 3.24Å; A683-L686 PolarHBondContact O-N 3.31Å; A683-L687 PolarHBondContact O-N 3.45Å; A683-L687 VanDerWaalsContact O-N 3.14Å |
| 684 | K | 75.7 | Confident | 71 | Confident | 100 Ų | 100 | 58.4 Ų | 58.4 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.3 | -40 | 173.2 | 179.8 | 166.5 | 177.9 | 173.4 | 0 | 111.2 | F654 L680 L681 D682 L686 L687 D688 | F654-K684 HydrophobicContact CE2-CB 3.88Å; F654-K684 HydrophobicContact CZ-CB 3.83Å; F654-K684 HydrophobicContact CZ-CG 4.43Å; L680-K684 VanDerWaalsContact O-CB 3.28Å; L680-K684 WeakPolarHBondContact O-CB 3.39Å; L680-K684 PolarHBondContact O-N 2.64Å; L681-K684 PolarHBondContact O-N 3.09Å; D682-K684 VanDerWaalsContact C-N 3.32Å; D682-K684 PolarHBondContact O-N 2.83Å; K684-L686 VanDerWaalsContact C-N 3.27Å; K684-L686 PolarHBondContact O-N 3.29Å; K684-L687 WeakPolarHBondContact O-CB 3.36Å; K684-L687 PolarHBondContact O-N 3.35Å; K684-L687 VanDerWaalsContact O-N 3.09Å; K684-D688 WeakPolarHBondContact CE-OD2 3.35Å; K684-D688 WeakPolarHBondContact CG-OD2 3.47Å; K684-D688 PolarHBondContact O-N 2.81Å |
| 685 | Q | 75.8 | Confident | 71.4 | Confident | 113 Ų | 113 | 57 Ų | 57 | 53% | 0.528 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 176.2 | -167.7 | 174.3 | 7 | 0 | 0 | 111.6 | L681 D682 N689 | L681-Q685 PolarHBondContact O-N 3.02Å; D682-Q685 PolarHBondContact O-N 2.94Å; Q685-N689 VanDerWaalsContact O-CB 3.28Å; Q685-N689 WeakPolarHBondContact O-CB 3.43Å; Q685-N689 PolarHBondContact O-N 3.43Å; Q685-N689 PolarHBondContact O-ND2 3.36Å |
| 686 | L | 75.3 | Confident | 72.1 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 28% | 0.277 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 169.8 | -75.4 | 170.5 | 0 | 0 | 0 | 112.4 | F610 L613 F614 L617 D682 A683 K684 W690 | F610-L686 HydrophobicContact CD1-CD1 4.15Å; F610-L686 HydrophobicContact CE1-CD1 4.3Å; L613-L686 HydrophobicContact CD2-CB 4.28Å; L613-L686 HydrophobicContact CD2-CD1 4.06Å; F614-L686 HydrophobicContact CD2-CD2 4.3Å; L617-L686 HydrophobicContact CD1-CB 4.4Å; D682-L686 PolarHBondContact O-N 3.16Å; A683-L686 PolarHBondContact O-N 3.31Å; K684-L686 VanDerWaalsContact C-N 3.27Å; K684-L686 PolarHBondContact O-N 3.29Å; L686-W690 WeakPolarHBondContact O-CB 3.5Å; L686-W690 PolarHBondContact O-N 2.68Å |
| 687 | L | 78.6 | Confident | 72.3 | Confident | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 175.9 | -179.2 | 71.5 | 0 | 0 | 0 | 112.2 | L617 A650 F654 A683 K684 N689 W690 I691 | L617-L687 HydrophobicContact CD2-CD1 4.28Å; A650-L687 HydrophobicContact CB-CD1 3.97Å; F654-L687 HydrophobicContact CB-CD1 4.43Å; F654-L687 HydrophobicContact CB-CD2 3.8Å; F654-L687 HydrophobicContact CD1-CD2 4.01Å; F654-L687 HydrophobicContact CD2-CB 4.45Å; F654-L687 HydrophobicContact CD2-CD2 4.31Å; F654-L687 HydrophobicContact CG-CD2 3.76Å; A683-L687 PolarHBondContact O-N 3.45Å; A683-L687 VanDerWaalsContact O-N 3.14Å; K684-L687 WeakPolarHBondContact O-CB 3.36Å; K684-L687 PolarHBondContact O-N 3.35Å; K684-L687 VanDerWaalsContact O-N 3.09Å; L687-N689 VanDerWaalsContact C-N 3.32Å; L687-N689 PolarHBondContact O-N 2.67Å; L687-W690 WeakPolarHBondContact O-CB 3.43Å; L687-W690 PolarHBondContact O-N 2.83Å; L687-W690 VanDerWaalsContact O-N 3.12Å; L687-I691 HydrophobicContact CD1-CD1 4.07Å; L687-I691 HydrophobicContact CD1-CG1 4.34Å; L687-I691 HydrophobicContact CD2-CD1 4.26Å; L687-I691 HydrophobicContact CG-CD1 3.79Å; L687-I691 HydrophobicContact CG-CG1 4.37Å; L687-I691 WeakPolarHBondContact O-CG1 3.37Å; L687-I691 PolarHBondContact O-N 2.95Å |
| 688 | D | 74.5 | Confident | 72.5 | Confident | 73 Ų | 73 | 61.4 Ų | 61.4 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | -178.2 | -71.9 | -24.9 | 0 | 0 | 0 | 111.1 | K684 T692 | K684-D688 WeakPolarHBondContact CE-OD2 3.35Å; K684-D688 WeakPolarHBondContact CG-OD2 3.47Å; K684-D688 PolarHBondContact O-N 2.81Å; D688-T692 WeakPolarHBondContact O-CB 3.49Å; D688-T692 PolarHBondContact O-N 3.1Å; D688-T692 VanDerWaalsContact O-N 3.08Å; D688-T692 PolarHBondContact O-OG1 2.87Å |
| 689 | N | 74.1 | Confident | 72.4 | Confident | 99 Ų | 99 | 62.6 Ų | 62.6 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -45.7 | 170.5 | -75.2 | -28.2 | 0 | 0 | 0 | 111.9 | Q685 L687 T692 D693 | Q685-N689 VanDerWaalsContact O-CB 3.28Å; Q685-N689 WeakPolarHBondContact O-CB 3.43Å; Q685-N689 PolarHBondContact O-N 3.43Å; Q685-N689 PolarHBondContact O-ND2 3.36Å; L687-N689 VanDerWaalsContact C-N 3.32Å; L687-N689 PolarHBondContact O-N 2.67Å; N689-T692 WeakPolarHBondContact O-CB 3.45Å; N689-T692 PolarHBondContact O-N 2.71Å; N689-D693 PolarHBondContact O-N 2.83Å; N689-D693 VanDerWaalsContact O-N 3.14Å |
| 690 | W | 80.5 | Confident | 72.5 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 12% | 0.117 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 178.1 | -173.8 | 100.2 | 0 | 0 | 0 | 111.8 | L617 L620 T621 A650 L686 L687 T692 D693 W694 | L617-W690 HydrophobicContact CD2-CD2 4.39Å; L617-W690 HydrophobicContact CD2-CG 4.26Å; L617-W690 PolarHBondContact O-NE1 3.01Å; L617-W690 VanDerWaalsContact O-NE1 3.13Å; L620-W690 HydrophobicContact CB-CZ2 3.94Å; L620-W690 HydrophobicContact CD1-CZ2 4.4Å; T621-W690 PolarHBondContact OG1-NE1 3.3Å; A650-W690 HydrophobicContact CB-CD2 4.27Å; A650-W690 HydrophobicContact CB-CE3 3.77Å; A650-W690 HydrophobicContact CB-CH2 3.85Å; A650-W690 HydrophobicContact CB-CZ2 4.29Å; A650-W690 HydrophobicContact CB-CZ3 3.56Å; L686-W690 WeakPolarHBondContact O-CB 3.5Å; L686-W690 PolarHBondContact O-N 2.68Å; L687-W690 WeakPolarHBondContact O-CB 3.43Å; L687-W690 PolarHBondContact O-N 2.83Å; L687-W690 VanDerWaalsContact O-N 3.12Å; W690-T692 PolarHBondContact O-N 2.83Å; W690-D693 PolarHBondContact O-N 3.33Å; W690-W694 HydrophobicContact CE3-CB 4.13Å; W690-W694 HydrophobicContact CH2-CB 4.43Å; W690-W694 AromaticContact CH2-CD1 3.57Å; W690-W694 HydrophobicContact CH2-CG 4.19Å; W690-W694 HydrophobicContact CZ3-CB 3.94Å; W690-W694 AromaticContact CZ3-CD1 3.66Å; W690-W694 AromaticContact CZ3-CG 3.84Å; W690-W694 HydrophobicContact CZ3-CG 3.84Å; W690-W694 WeakPolarHBondContact O-CB 3.47Å; W690-W694 PolarHBondContact O-N 3.05Å |
| 691 | I | 72.3 | Confident | 72.4 | Confident | 34 Ų | 34 | 63.5 Ų | 63.5 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -31 | 176.5 | -69.9 | 173.5 | 0 | 0 | 0 | 111.3 | L687 A695 | L687-I691 HydrophobicContact CD1-CD1 4.07Å; L687-I691 HydrophobicContact CD1-CG1 4.34Å; L687-I691 HydrophobicContact CD2-CD1 4.26Å; L687-I691 HydrophobicContact CG-CD1 3.79Å; L687-I691 HydrophobicContact CG-CG1 4.37Å; L687-I691 WeakPolarHBondContact O-CG1 3.37Å; L687-I691 PolarHBondContact O-N 2.95Å; I691-A695 WeakPolarHBondContact O-CB 3.43Å; I691-A695 PolarHBondContact O-N 2.98Å |
| 692 | T | 71.5 | Confident | 72.1 | Confident | 96 Ų | 96 | 60.7 Ų | 60.7 | 59% | 0.589 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -72.2 | -45.5 | 178 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | D688 N689 W690 A695 L696 | D688-T692 WeakPolarHBondContact O-CB 3.49Å; D688-T692 PolarHBondContact O-N 3.1Å; D688-T692 VanDerWaalsContact O-N 3.08Å; D688-T692 PolarHBondContact O-OG1 2.87Å; N689-T692 WeakPolarHBondContact O-CB 3.45Å; N689-T692 PolarHBondContact O-N 2.71Å; W690-T692 PolarHBondContact O-N 2.83Å; T692-A695 PolarHBondContact O-N 2.73Å; T692-L696 PolarHBondContact O-N 2.91Å |
| 693 | D | 70.1 | Confident | 71.9 | Confident | 82 Ų | 82 | 63.5 Ų | 63.5 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 174.2 | -172 | 59.8 | 0 | 0 | 0 | 111.6 | N689 W690 A695 L696 Q697 | N689-D693 PolarHBondContact O-N 2.83Å; N689-D693 VanDerWaalsContact O-N 3.14Å; W690-D693 PolarHBondContact O-N 3.33Å; D693-A695 VanDerWaalsContact C-N 3.33Å; D693-A695 PolarHBondContact O-N 3.32Å; D693-L696 PolarHBondContact O-N 3.11Å; D693-Q697 PolarHBondContact O-N 3.39Å; D693-Q697 PolarHBondContact OD2-NE2 3.06Å; D693-Q697 VanDerWaalsContact OD2-NE2 3.12Å |
| 694 | W | 76.1 | Confident | 72 | Confident | 16 Ų | 16 | 65.9 Ų | 65.9 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.5 | -46.1 | 172.2 | 174.5 | 96.2 | 0 | 0 | 0 | 112 | H643 D644 K647 W690 L696 Q697 R698 | H643-W694 AromaticContact CE1-CD1 3.36Å; H643-W694 AromaticContact CE1-CG 3.82Å; H643-W694 AromaticContact CE1-NE1 3.5Å; H643-W694 PolarHBondContact CE1-O 3.08Å; H643-W694 AromaticContact CG-NE1 3.86Å; H643-W694 AromaticContact ND1-CD1 3.55Å; H643-W694 AromaticContact ND1-CE2 3.55Å; H643-W694 AromaticContact ND1-NE1 3.14Å; H643-W694 PolarHBondContact ND1-NE1 3.19Å; H643-W694 VanDerWaalsContact ND1-NE1 3.14Å; H643-W694 PolarHBondContact O-NE1 2.78Å; D644-W694 WeakPolarHBondContact OD1-CH2 3.41Å; D644-W694 WeakPolarHBondContact OD1-CZ2 3.41Å; K647-W694 HydrophobicContact CB-CD2 4.28Å; K647-W694 HydrophobicContact CB-CH2 4.41Å; K647-W694 HydrophobicContact CB-CZ2 3.8Å; K647-W694 HydrophobicContact CD-CD2 4.17Å; K647-W694 HydrophobicContact CD-CE3 3.88Å; K647-W694 HydrophobicContact CD-CH2 3.49Å; K647-W694 VanDerWaalsContact CD-CH2 3.49Å; K647-W694 HydrophobicContact CD-CZ2 3.76Å; K647-W694 HydrophobicContact CD-CZ3 3.57Å; K647-W694 HydrophobicContact CG-CZ2 4.43Å; W690-W694 HydrophobicContact CE3-CB 4.13Å; W690-W694 HydrophobicContact CH2-CB 4.43Å; W690-W694 AromaticContact CH2-CD1 3.57Å; W690-W694 HydrophobicContact CH2-CG 4.19Å; W690-W694 HydrophobicContact CZ3-CB 3.94Å; W690-W694 AromaticContact CZ3-CD1 3.66Å; W690-W694 AromaticContact CZ3-CG 3.84Å; W690-W694 HydrophobicContact CZ3-CG 3.84Å; W690-W694 WeakPolarHBondContact O-CB 3.47Å; W690-W694 PolarHBondContact O-N 3.05Å; W694-L696 VanDerWaalsContact C-N 3.33Å; W694-L696 PolarHBondContact O-N 3.34Å; W694-Q697 PolarHBondContact O-N 3.17Å; W694-R698 PolarHBondContact O-N 3.47Å |
| 695 | A | 67.4 | Low | 71.8 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I691 T692 D693 R698 E699 | I691-A695 WeakPolarHBondContact O-CB 3.43Å; I691-A695 PolarHBondContact O-N 2.98Å; T692-A695 PolarHBondContact O-N 2.73Å; D693-A695 VanDerWaalsContact C-N 3.33Å; D693-A695 PolarHBondContact O-N 3.32Å; A695-R698 PolarHBondContact O-N 3.44Å; A695-E699 PolarHBondContact O-N 2.85Å |
| 696 | L | 70.3 | Confident | 71.6 | Confident | 104 Ų | 104 | 58.5 Ų | 58.5 | 55% | 0.545 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 179.1 | -157 | 114.6 | 0 | 0 | 0 | 112 | T692 D693 W694 N700 | T692-L696 PolarHBondContact O-N 2.91Å; D693-L696 PolarHBondContact O-N 3.11Å; W694-L696 VanDerWaalsContact C-N 3.33Å; W694-L696 PolarHBondContact O-N 3.34Å; L696-N700 PolarHBondContact O-N 2.96Å; L696-N700 PolarHBondContact O-ND2 3.36Å |
| 697 | Q | 68 | Low | 71.6 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 171.8 | -69.3 | -179.2 | 17.2 | 0 | 0 | 111.5 | H643 D693 W694 E699 N700 L701 | H643-Q697 PolarHBondContact NE2-OE1 2.78Å; D693-Q697 PolarHBondContact O-N 3.39Å; D693-Q697 PolarHBondContact OD2-NE2 3.06Å; D693-Q697 VanDerWaalsContact OD2-NE2 3.12Å; W694-Q697 PolarHBondContact O-N 3.17Å; Q697-E699 VanDerWaalsContact C-N 3.32Å; Q697-E699 PolarHBondContact O-N 3.14Å; Q697-N700 PolarHBondContact O-N 3Å; Q697-N700 VanDerWaalsContact O-N 3.13Å; Q697-L701 PolarHBondContact O-N 3.14Å; Q697-L701 VanDerWaalsContact O-N 3.12Å |
| 698 | R | 68.9 | Low | 71.5 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 25% | 0.253 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.1 | -36.9 | 179.3 | -168.9 | 178.8 | -171.7 | -73.4 | -3.2 | 112.9 | D644 W694 A695 L701 N702 | D644-R698 IonicContact OD1-CZ 3.44Å; D644-R698 IonicContact OD1-NE 3.2Å; D644-R698 PolarHBondContact OD1-NE 2.87Å; D644-R698 IonicContact OD1-NH2 3.75Å; D644-R698 PolarHBondContact OD1-NH2 2.92Å; D644-R698 IonicContact OD2-CZ 3.78Å; D644-R698 IonicContact OD2-NE 2.69Å; D644-R698 IonicContact OD2-NH2 2.72Å; D644-R698 PolarHBondContact OD2-NH2 2.83Å; W694-R698 PolarHBondContact O-N 3.47Å; A695-R698 PolarHBondContact O-N 3.44Å; R698-L701 PolarHBondContact O-N 3.37Å; R698-N702 VanDerWaalsContact O-CG 3.31Å; R698-N702 PolarHBondContact O-N 2.94Å; R698-N702 PolarHBondContact O-ND2 3.25Å; R698-N702 VanDerWaalsContact O-ND2 3.07Å |
| 699 | E | 66.5 | Low | 71.4 | Confident | 113 Ų | 113 | 55.1 Ų | 55.1 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -45 | 172.2 | -73.7 | -170.2 | 156.2 | 0 | 0 | 112.4 | A695 Q697 L701 N702 Y703 | A695-E699 PolarHBondContact O-N 2.85Å; Q697-E699 VanDerWaalsContact C-N 3.32Å; Q697-E699 PolarHBondContact O-N 3.14Å; E699-L701 VanDerWaalsContact C-N 3.27Å; E699-L701 PolarHBondContact O-N 3.35Å; E699-N702 PolarHBondContact O-N 2.86Å; E699-N702 VanDerWaalsContact O-N 3.17Å; E699-Y703 HydrophobicContact CB-CE2 4.42Å; E699-Y703 WeakPolarHBondContact O-CD2 3.43Å; E699-Y703 PolarHBondContact O-N 3.43Å |
| 700 | N | 68.6 | Low | 71.6 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 177.8 | -73.6 | -95.7 | 0 | 0 | 0 | 111.9 | L696 Q697 Y703 R704 K801 F802 | L696-N700 PolarHBondContact O-N 2.96Å; L696-N700 PolarHBondContact O-ND2 3.36Å; Q697-N700 PolarHBondContact O-N 3Å; Q697-N700 VanDerWaalsContact O-N 3.13Å; N700-Y703 PolarHBondContact O-N 2.99Å; N700-R704 PolarHBondContact O-N 3.31Å; N700-K801 PolarHBondContact OD1-NZ 3.18Å; N700-F802 WeakPolarHBondContact O-CZ 3.46Å |
| 701 | L | 69.3 | Low | 71.7 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 172.9 | -75.6 | 149.3 | 0 | 0 | 0 | 112.5 | P629 I636 F639 I640 Q697 R698 E699 Y703 R704 L705 | P629-L701 HydrophobicContact CB-CD2 4.11Å; P629-L701 HydrophobicContact CG-CD2 3.84Å; I636-L701 HydrophobicContact CG2-CD2 4.2Å; F639-L701 HydrophobicContact CB-CD2 4.28Å; F639-L701 HydrophobicContact CD1-CD1 3.45Å; F639-L701 VanDerWaalsContact CD1-CD1 3.45Å; F639-L701 HydrophobicContact CD1-CD2 3.47Å; F639-L701 VanDerWaalsContact CD1-CD2 3.47Å; F639-L701 HydrophobicContact CD1-CG 4.11Å; F639-L701 HydrophobicContact CE1-CD1 3.51Å; F639-L701 HydrophobicContact CE1-CD2 4.04Å; F639-L701 HydrophobicContact CE1-CG 4.4Å; F639-L701 HydrophobicContact CG-CD2 3.87Å; I640-L701 HydrophobicContact CD1-CB 4.14Å; I640-L701 HydrophobicContact CG1-CB 3.85Å; Q697-L701 PolarHBondContact O-N 3.14Å; Q697-L701 VanDerWaalsContact O-N 3.12Å; R698-L701 PolarHBondContact O-N 3.37Å; E699-L701 VanDerWaalsContact C-N 3.27Å; E699-L701 PolarHBondContact O-N 3.35Å; L701-Y703 VanDerWaalsContact C-N 3.28Å; L701-Y703 PolarHBondContact O-N 3.02Å; L701-R704 PolarHBondContact O-N 3.45Å; L701-L705 WeakPolarHBondContact O-CB 3.45Å; L701-L705 PolarHBondContact O-N 3.08Å |
| 702 | N | 66.8 | Low | 71.9 | Confident | 53 Ų | 53 | 54 Ų | 54 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 175.7 | -69.6 | -38 | 0 | 0 | 0 | 111.9 | R698 E699 A706 | R698-N702 VanDerWaalsContact O-CG 3.31Å; R698-N702 PolarHBondContact O-N 2.94Å; R698-N702 PolarHBondContact O-ND2 3.25Å; R698-N702 VanDerWaalsContact O-ND2 3.07Å; E699-N702 PolarHBondContact O-N 2.86Å; E699-N702 VanDerWaalsContact O-N 3.17Å; N702-A706 WeakPolarHBondContact O-CB 3.4Å; N702-A706 PolarHBondContact O-N 3.16Å |
| 703 | Y | 67.8 | Low | 72.1 | Confident | 138 Ų | 138 | 50.7 Ų | 50.7 | 54% | 0.541 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 173.1 | -74.9 | -63.6 | 0 | 0 | 0 | 112.4 | E699 N700 L701 L705 A706 F707 | E699-Y703 HydrophobicContact CB-CE2 4.42Å; E699-Y703 WeakPolarHBondContact O-CD2 3.43Å; E699-Y703 PolarHBondContact O-N 3.43Å; N700-Y703 PolarHBondContact O-N 2.99Å; L701-Y703 VanDerWaalsContact C-N 3.28Å; L701-Y703 PolarHBondContact O-N 3.02Å; Y703-L705 VanDerWaalsContact C-N 3.34Å; Y703-L705 PolarHBondContact O-N 2.86Å; Y703-A706 PolarHBondContact O-N 2.72Å; Y703-F707 VanDerWaalsContact O-CD2 3.3Å; Y703-F707 WeakPolarHBondContact O-CD2 3.5Å; Y703-F707 PolarHBondContact O-N 3.18Å; Y703-F707 VanDerWaalsContact O-N 3.13Å |
| 704 | R | 73.4 | Confident | 72.6 | Confident | 49 Ų | 49 | 47.5 Ų | 47.5 | 19% | 0.185 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -45.3 | 176.3 | -165.8 | 177.9 | 164.9 | -179.3 | -17.2 | 111.1 | P629 G630 D631 I636 N700 L701 F707 L708 F802 F804 | P629-R704 PolarHBondContact O-NH1 3.13Å; P629-R704 PolarHBondContact O-NH2 3.06Å; G630-R704 PolarHBondContact O-NH2 3.41Å; D631-R704 IonicContact OD1-NH2 3.21Å; I636-R704 HydrophobicContact CD1-CB 4.46Å; I636-R704 HydrophobicContact CD1-CG 3.94Å; N700-R704 PolarHBondContact O-N 3.31Å; L701-R704 PolarHBondContact O-N 3.45Å; R704-F707 PolarHBondContact O-N 3.44Å; R704-L708 PolarHBondContact O-N 3.15Å; R704-L708 VanDerWaalsContact O-N 3.09Å; R704-F802 HydrophobicContact CB-CD1 3.77Å; R704-F802 HydrophobicContact CB-CE1 3.7Å; R704-F802 HydrophobicContact CB-CG 4.48Å; R704-F802 HydrophobicContact CB-CZ 4.35Å; R704-F802 HydrophobicContact CG-CD1 3.78Å; R704-F802 HydrophobicContact CG-CE1 4.21Å; R704-F802 HydrophobicContact CG-CG 4.44Å; R704-F804 HydrophobicContact CG-CE1 4.02Å; R704-F804 HydrophobicContact CG-CZ 3.58Å; R704-F804 WeakPolarHBondContact O-CZ 3.4Å |
| 705 | L | 72 | Confident | 72.8 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.4 | -46.2 | 175.7 | -179.1 | 60.8 | 0 | 0 | 0 | 112.5 | V633 I636 E637 I640 L701 Y703 F707 L708 N709 C1091 | V633-L705 HydrophobicContact CB-CD1 4.43Å; V633-L705 HydrophobicContact CG1-CD1 4Å; V633-L705 HydrophobicContact CG2-CD1 4.4Å; I636-L705 HydrophobicContact CB-CD1 4.43Å; I636-L705 HydrophobicContact CG2-CB 3.91Å; E637-L705 HydrophobicContact CG-CD1 3.72Å; E637-L705 HydrophobicContact CG-CD2 3.57Å; E637-L705 HydrophobicContact CG-CG 4.3Å; I640-L705 HydrophobicContact CD1-CD2 4.12Å; L701-L705 WeakPolarHBondContact O-CB 3.45Å; L701-L705 PolarHBondContact O-N 3.08Å; Y703-L705 VanDerWaalsContact C-N 3.34Å; Y703-L705 PolarHBondContact O-N 2.86Å; L705-F707 VanDerWaalsContact C-N 3.32Å; L705-F707 PolarHBondContact O-N 2.93Å; L705-L708 PolarHBondContact O-N 2.85Å; L705-N709 WeakPolarHBondContact O-CB 3.41Å; L705-N709 PolarHBondContact O-N 3.24Å; L705-C1091 HydrophobicContact CD2-CB 4.36Å |
| 706 | A | 70.6 | Confident | 73.1 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 41% | 0.405 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -35.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | N702 Y703 R710 | N702-A706 WeakPolarHBondContact O-CB 3.4Å; N702-A706 PolarHBondContact O-N 3.16Å; Y703-A706 PolarHBondContact O-N 2.72Å; A706-R710 WeakPolarHBondContact O-CG 3.46Å; A706-R710 PolarHBondContact O-N 2.92Å |
| 707 | F | 76.4 | Confident | 73.4 | Confident | 28 Ų | 28 | 48.2 Ų | 48.2 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71 | -42.5 | 172.5 | -79.7 | -67.9 | 0 | 0 | 0 | 112.5 | Y703 R704 L705 R710 L711 E795 V796 F802 F804 | Y703-F707 VanDerWaalsContact O-CD2 3.3Å; Y703-F707 WeakPolarHBondContact O-CD2 3.5Å; Y703-F707 PolarHBondContact O-N 3.18Å; Y703-F707 VanDerWaalsContact O-N 3.13Å; R704-F707 PolarHBondContact O-N 3.44Å; L705-F707 VanDerWaalsContact C-N 3.32Å; L705-F707 PolarHBondContact O-N 2.93Å; F707-R710 PolarHBondContact O-N 3.18Å; F707-L711 WeakPolarHBondContact O-CG 3.23Å; F707-L711 PolarHBondContact O-N 3.06Å; F707-E795 HydrophobicContact CE1-CB 4.33Å; F707-V796 HydrophobicContact CD1-CG2 3.69Å; F707-V796 HydrophobicContact CE1-CG2 4.29Å; F707-V796 HydrophobicContact CG-CG2 4.38Å; F707-F802 HydrophobicContact CD2-CD2 4.08Å; F707-F802 HydrophobicContact CE2-CD2 4.3Å; F707-F804 HydrophobicContact CB-CE2 3.69Å; F707-F804 HydrophobicContact CB-CZ 4.34Å |
| 708 | L | 76 | Confident | 74.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 179.7 | -171.3 | 58.6 | 0 | 0 | 0 | 112.1 | T632 V633 I636 R704 L705 R710 L711 E712 F804 | T632-L708 VanDerWaalsContact C-CD2 3.45Å; V633-L708 HydrophobicContact CG2-CB 4.41Å; V633-L708 HydrophobicContact CG2-CD2 3.89Å; V633-L708 HydrophobicContact CG2-CG 3.85Å; I636-L708 HydrophobicContact CD1-CB 4.44Å; I636-L708 HydrophobicContact CD1-CD2 3.65Å; R704-L708 PolarHBondContact O-N 3.15Å; R704-L708 VanDerWaalsContact O-N 3.09Å; L705-L708 PolarHBondContact O-N 2.85Å; L708-R710 VanDerWaalsContact C-N 3.3Å; L708-R710 PolarHBondContact O-N 2.8Å; L708-L711 WeakPolarHBondContact O-CB 3.37Å; L708-L711 PolarHBondContact O-N 2.99Å; L708-E712 PolarHBondContact O-N 2.95Å; L708-F804 HydrophobicContact CB-CE1 3.96Å; L708-F804 HydrophobicContact CB-CZ 4.07Å; L708-F804 HydrophobicContact CD1-CD1 3.77Å; L708-F804 HydrophobicContact CD1-CE1 3.94Å; L708-F804 HydrophobicContact CD1-CG 4.39Å; L708-F804 HydrophobicContact CD2-CE1 4.37Å; L708-F804 HydrophobicContact CG-CE1 4.32Å |
| 709 | N | 72.4 | Confident | 74.4 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 19% | 0.193 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.7 | -42.8 | 173.1 | -75.4 | -15.8 | 0 | 0 | 0 | 112.2 | V633 L705 L711 E712 D713 N1088 | V633-N709 WeakPolarHBondContact CG2-OD1 3.34Å; L705-N709 WeakPolarHBondContact O-CB 3.41Å; L705-N709 PolarHBondContact O-N 3.24Å; N709-L711 VanDerWaalsContact C-N 3.29Å; N709-L711 PolarHBondContact O-N 2.86Å; N709-E712 PolarHBondContact O-N 2.9Å; N709-D713 WeakPolarHBondContact O-CB 3.31Å; N709-D713 PolarHBondContact O-N 2.78Å; N709-N1088 PolarHBondContact ND2-ND2 2.76Å; N709-N1088 PolarHBondContact OD1-ND2 2.94Å |
| 710 | R | 79.2 | Confident | 74.7 | Confident | 94 Ų | 94 | 41.2 Ų | 41.2 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.7 | -29.9 | 177.5 | -71.9 | 173.2 | 73.9 | -163.2 | 1.9 | 112.7 | A706 F707 L708 L714 L792 E795 | A706-R710 WeakPolarHBondContact O-CG 3.46Å; A706-R710 PolarHBondContact O-N 2.92Å; F707-R710 PolarHBondContact O-N 3.18Å; L708-R710 VanDerWaalsContact C-N 3.3Å; L708-R710 PolarHBondContact O-N 2.8Å; R710-L714 WeakPolarHBondContact O-CB 3.47Å; R710-L714 PolarHBondContact O-N 2.6Å; R710-L792 HydrophobicContact CB-CD1 3.98Å; R710-L792 HydrophobicContact CB-CD2 4.44Å; R710-E795 IonicContact CZ-OE2 3.85Å; R710-E795 IonicContact NH1-OE2 2.67Å; R710-E795 PolarHBondContact NH1-OE2 2.9Å; R710-E795 IonicContact NH2-OE1 3.68Å; R710-E795 IonicContact NH2-OE2 3.97Å; R710-E795 PolarHBondContact NH2-OE2 2.7Å |
| 711 | L | 81.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -77.2 | -44.5 | 175.7 | -66.2 | 170 | 0 | 0 | 0 | 111.6 | F707 L708 N709 L714 Q715 L792 V796 F804 H807 I811 | F707-L711 WeakPolarHBondContact O-CG 3.23Å; F707-L711 PolarHBondContact O-N 3.06Å; L708-L711 WeakPolarHBondContact O-CB 3.37Å; L708-L711 PolarHBondContact O-N 2.99Å; N709-L711 VanDerWaalsContact C-N 3.29Å; N709-L711 PolarHBondContact O-N 2.86Å; L711-L714 PolarHBondContact O-N 2.63Å; L711-Q715 WeakPolarHBondContact O-CB 3.4Å; L711-Q715 PolarHBondContact O-N 3.05Å; L711-L792 HydrophobicContact CD2-CD2 4.02Å; L711-L792 HydrophobicContact CD2-CG 4.33Å; L711-V796 HydrophobicContact CD1-CG2 4.35Å; L711-V796 HydrophobicContact CD2-CG2 4.45Å; L711-F804 HydrophobicContact CD1-CB 3.6Å; L711-F804 HydrophobicContact CD1-CD2 3.73Å; L711-F804 HydrophobicContact CD1-CG 3.84Å; L711-H807 HydrophobicContact CB-CB 4.17Å; L711-H807 HydrophobicContact CD1-CB 4.14Å; L711-I811 HydrophobicContact CB-CD1 4.02Å; L711-I811 HydrophobicContact CD2-CD1 3.59Å; L711-I811 HydrophobicContact CG-CD1 4.41Å |
| 712 | E | 77.6 | Confident | 75.7 | Confident | 46 Ų | 46 | 41.3 Ų | 41.3 | 22% | 0.215 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.3 | -81.2 | -162 | -162.5 | 0 | 0 | 112.9 | V633 L708 N709 Q715 T716 R1086 | V633-E712 HydrophobicContact CG2-CG 4.39Å; V633-E712 VanDerWaalsContact CG2-OE1 3.22Å; V633-E712 WeakPolarHBondContact CG2-OE1 3.48Å; L708-E712 PolarHBondContact O-N 2.95Å; N709-E712 PolarHBondContact O-N 2.9Å; E712-Q715 PolarHBondContact O-N 2.84Å; E712-T716 WeakPolarHBondContact O-CB 3.43Å; E712-T716 PolarHBondContact O-N 2.89Å; E712-T716 PolarHBondContact O-OG1 3.08Å; E712-R1086 IonicContact OE2-NH1 3.19Å; E712-R1086 PolarHBondContact OE2-NH1 2.87Å |
| 713 | D | 74.4 | Confident | 76 | Confident | 26 Ų | 26 | 41 Ų | 41 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 177.4 | -92 | -2.7 | 0 | 0 | 0 | 111.2 | N709 T716 D717 R1086 | N709-D713 WeakPolarHBondContact O-CB 3.31Å; N709-D713 PolarHBondContact O-N 2.78Å; D713-T716 WeakPolarHBondContact O-CB 3.37Å; D713-T716 PolarHBondContact O-N 2.96Å; D713-D717 PolarHBondContact O-N 3.28Å; D713-R1086 WeakPolarHBondContact OD1-CD 3.43Å; D713-R1086 IonicContact OD1-NH1 2.67Å; D713-R1086 WeakPolarHBondContact OD2-CB 3.49Å |
| 714 | L | 81.7 | Confident | 76.7 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 174.5 | 174.5 | 59 | 0 | 0 | 0 | 111.8 | R710 L711 T716 D717 L718 F788 I789 L792 I811 | R710-L714 WeakPolarHBondContact O-CB 3.47Å; R710-L714 PolarHBondContact O-N 2.6Å; L711-L714 PolarHBondContact O-N 2.63Å; L714-T716 VanDerWaalsContact C-N 3.26Å; L714-T716 PolarHBondContact O-N 2.73Å; L714-D717 PolarHBondContact O-N 2.84Å; L714-L718 HydrophobicContact CD1-CD1 3.98Å; L714-L718 HydrophobicContact CD1-CG 4Å; L714-L718 HydrophobicContact CG-CD1 4.02Å; L714-L718 HydrophobicContact CG-CG 4.48Å; L714-L718 WeakPolarHBondContact O-CB 3.46Å; L714-L718 VanDerWaalsContact O-CG 3.26Å; L714-L718 WeakPolarHBondContact O-CG 3.5Å; L714-L718 PolarHBondContact O-N 2.87Å; L714-F788 HydrophobicContact CD1-CD1 4.47Å; L714-F788 HydrophobicContact CD1-CE1 4.26Å; L714-I789 HydrophobicContact CD1-CG1 4.03Å; L714-I789 HydrophobicContact CD2-CG1 4.09Å; L714-L792 HydrophobicContact CB-CD2 4.25Å; L714-L792 HydrophobicContact CD2-CD2 3.62Å; L714-I811 HydrophobicContact CD2-CD1 4.2Å; L714-I811 HydrophobicContact CD2-CG2 3.75Å; L714-I811 HydrophobicContact CG-CD1 4.48Å; L714-I811 HydrophobicContact CG-CG2 4.21Å |
| 715 | Q | 80.2 | Confident | 77.2 | Confident | 47 Ų | 47 | 36.7 Ų | 36.7 | 22% | 0.22 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -37.9 | 174.5 | 172.4 | 160.8 | -23.2 | 0 | 0 | 111.8 | L711 E712 G719 I811 I814 | L711-Q715 WeakPolarHBondContact O-CB 3.4Å; L711-Q715 PolarHBondContact O-N 3.05Å; E712-Q715 PolarHBondContact O-N 2.84Å; Q715-G719 PolarHBondContact O-N 3.02Å; Q715-G719 VanDerWaalsContact O-N 3.09Å; Q715-I811 HydrophobicContact CB-CG1 4.11Å; Q715-I814 HydrophobicContact CG-CD1 3.95Å |
| 716 | T | 73.9 | Confident | 77.5 | Confident | 52 Ų | 52 | 38.1 Ų | 38.1 | 32% | 0.319 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.9 | -51 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | E712 D713 L714 L718 G719 E720 | E712-T716 WeakPolarHBondContact O-CB 3.43Å; E712-T716 PolarHBondContact O-N 2.89Å; E712-T716 PolarHBondContact O-OG1 3.08Å; D713-T716 WeakPolarHBondContact O-CB 3.37Å; D713-T716 PolarHBondContact O-N 2.96Å; L714-T716 VanDerWaalsContact C-N 3.26Å; L714-T716 PolarHBondContact O-N 2.73Å; T716-L718 VanDerWaalsContact C-N 3.32Å; T716-L718 PolarHBondContact O-N 2.85Å; T716-G719 PolarHBondContact O-N 3.47Å; T716-G719 VanDerWaalsContact O-N 3.11Å; T716-E720 PolarHBondContact O-N 2.93Å; T716-E720 VanDerWaalsContact O-N 3.1Å |
| 717 | D | 76.3 | Confident | 77.7 | Confident | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 179.3 | -82.4 | -10.5 | 0 | 0 | 0 | 111.5 | D713 L714 E720 C721 | D713-D717 PolarHBondContact O-N 3.28Å; L714-D717 PolarHBondContact O-N 2.84Å; D717-E720 PolarHBondContact O-N 3.38Å; D717-C721 PolarHBondContact O-N 2.96Å; D717-C721 VanDerWaalsContact O-N 3.08Å |
| 718 | L | 82.1 | Confident | 78 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 172.1 | -76.7 | 172.6 | 0 | 0 | 0 | 112.8 | L714 T716 E720 C721 V722 I789 I811 I814 W815 | L714-L718 HydrophobicContact CD1-CD1 3.98Å; L714-L718 HydrophobicContact CD1-CG 4Å; L714-L718 HydrophobicContact CG-CD1 4.02Å; L714-L718 HydrophobicContact CG-CG 4.48Å; L714-L718 WeakPolarHBondContact O-CB 3.46Å; L714-L718 VanDerWaalsContact O-CG 3.26Å; L714-L718 WeakPolarHBondContact O-CG 3.5Å; L714-L718 PolarHBondContact O-N 2.87Å; T716-L718 VanDerWaalsContact C-N 3.32Å; T716-L718 PolarHBondContact O-N 2.85Å; L718-E720 VanDerWaalsContact C-N 3.28Å; L718-E720 PolarHBondContact O-N 2.9Å; L718-C721 PolarHBondContact O-N 2.86Å; L718-V722 PolarHBondContact O-N 2.86Å; L718-I789 HydrophobicContact CD2-CD1 4.24Å; L718-I811 HydrophobicContact CD1-CG2 3.89Å; L718-I814 HydrophobicContact CB-CB 4.43Å; L718-I814 HydrophobicContact CB-CG2 3.77Å; L718-W815 HydrophobicContact CD2-CE3 3.67Å; L718-W815 HydrophobicContact CD2-CZ3 4.34Å |
| 719 | G | 74.3 | Confident | 78.3 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 36% | 0.361 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.6 | -35.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q715 T716 V722 S723 | Q715-G719 PolarHBondContact O-N 3.02Å; Q715-G719 VanDerWaalsContact O-N 3.09Å; T716-G719 PolarHBondContact O-N 3.47Å; T716-G719 VanDerWaalsContact O-N 3.11Å; G719-V722 PolarHBondContact O-N 2.86Å; G719-S723 PolarHBondContact O-N 2.98Å |
| 720 | E | 73.6 | Confident | 78.4 | Confident | 39 Ų | 39 | 40.9 Ų | 40.9 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.7 | -36.1 | 175.9 | -61.7 | -159.1 | 163.3 | 0 | 0 | 113.2 | T716 D717 L718 V722 S723 R724 R1122 R1124 | T716-E720 PolarHBondContact O-N 2.93Å; T716-E720 VanDerWaalsContact O-N 3.1Å; D717-E720 PolarHBondContact O-N 3.38Å; L718-E720 VanDerWaalsContact C-N 3.28Å; L718-E720 PolarHBondContact O-N 2.9Å; E720-V722 VanDerWaalsContact C-N 3.29Å; E720-V722 PolarHBondContact O-N 2.85Å; E720-S723 PolarHBondContact O-N 3.28Å; E720-S723 VanDerWaalsContact O-N 3.16Å; E720-R724 PolarHBondContact O-N 2.83Å; E720-R1122 IonicContact OE1-CZ 2.67Å; E720-R1122 IonicContact OE1-NE 2.68Å; E720-R1122 PolarHBondContact OE1-NE 3.18Å; E720-R1122 IonicContact OE1-NH1 3.28Å; E720-R1122 PolarHBondContact OE1-NH1 3.3Å; E720-R1122 IonicContact OE1-NH2 3.79Å; E720-R1122 PolarHBondContact OE1-NH2 2.67Å; E720-R1122 IonicContact OE2-CZ 2.73Å; E720-R1122 IonicContact OE2-NH1 2.91Å; E720-R1122 PolarHBondContact OE2-NH1 2.83Å; E720-R1122 IonicContact OE2-NH2 2.86Å; E720-R1122 PolarHBondContact OE2-NH2 2.8Å; E720-R1124 IonicContact OE1-CZ 2.64Å; E720-R1124 IonicContact OE1-NE 3.07Å; E720-R1124 IonicContact OE1-NH2 3.42Å; E720-R1124 PolarHBondContact OE1-NH2 2.89Å |
| 721 | C | 78.5 | Confident | 78.1 | Confident | 29 Ų | 29 | 38.2 Ų | 38.2 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -40.1 | 171.5 | -72.4 | 0 | 0 | 0 | 0 | 112 | D717 L718 L725 Y818 | D717-C721 PolarHBondContact O-N 2.96Å; D717-C721 VanDerWaalsContact O-N 3.08Å; L718-C721 PolarHBondContact O-N 2.86Å; C721-L725 PolarHBondContact O-N 2.88Å; C721-Y818 HydrophobicContact CB-CD2 3.83Å; C721-Y818 HydrophobicContact CB-CE1 4.44Å; C721-Y818 HydrophobicContact CB-CE2 3.61Å; C721-Y818 HydrophobicContact CB-CG 4.34Å |
| 722 | V | 81.1 | Confident | 77.9 | Confident | 38 Ų | 38 | 38.5 Ų | 38.5 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67 | -40.6 | 173 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | L718 G719 E720 L725 D726 I814 Y818 | L718-V722 PolarHBondContact O-N 2.86Å; G719-V722 PolarHBondContact O-N 2.86Å; E720-V722 VanDerWaalsContact C-N 3.29Å; E720-V722 PolarHBondContact O-N 2.85Å; V722-L725 PolarHBondContact O-N 3.05Å; V722-D726 PolarHBondContact O-N 2.8Å; V722-I814 HydrophobicContact CG2-CG2 4.09Å; V722-Y818 HydrophobicContact CG2-CD2 4.39Å |
| 723 | S | 73.4 | Confident | 77.7 | Confident | 47 Ų | 47 | 36.7 Ų | 36.7 | 33% | 0.329 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 112.8 | G719 E720 L725 D726 Q727 | G719-S723 PolarHBondContact O-N 2.98Å; E720-S723 PolarHBondContact O-N 3.28Å; E720-S723 VanDerWaalsContact O-N 3.16Å; S723-L725 VanDerWaalsContact C-N 3.29Å; S723-L725 PolarHBondContact O-N 2.63Å; S723-D726 PolarHBondContact O-N 3.17Å; S723-Q727 WeakPolarHBondContact O-CG 3.39Å; S723-Q727 PolarHBondContact O-N 3.08Å; S723-Q727 VanDerWaalsContact O-N 3.09Å |
| 724 | R | 82.7 | Confident | 77.4 | Confident | 93 Ų | 93 | 41.2 Ų | 41.2 | 35% | 0.351 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63 | -37.2 | 175.9 | -178.2 | 54.9 | 178.3 | 176.5 | 0 | 111.8 | E720 Q727 L728 E774 M778 | E720-R724 PolarHBondContact O-N 2.83Å; R724-Q727 WeakPolarHBondContact O-CB 3.46Å; R724-Q727 PolarHBondContact O-N 2.9Å; R724-L728 HydrophobicContact CG-CD1 4.3Å; R724-L728 WeakPolarHBondContact O-CG 3.45Å; R724-L728 PolarHBondContact O-N 3.17Å; R724-E774 IonicContact CZ-OE1 3.5Å; R724-E774 IonicContact CZ-OE2 3.14Å; R724-E774 IonicContact NE-OE2 3.4Å; R724-E774 PolarHBondContact NE-OE2 3Å; R724-E774 VanDerWaalsContact NE-OE2 3.1Å; R724-E774 IonicContact NH2-OE1 2.74Å; R724-E774 PolarHBondContact NH2-OE1 3Å; R724-E774 IonicContact NH2-OE2 2.62Å; R724-E774 PolarHBondContact NH2-OE2 3.13Å; R724-M778 HydrophobicContact CG-SD 4.46Å |
| 725 | L | 82.8 | Confident | 76.9 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 177.3 | -178.3 | 56.7 | 0 | 0 | 0 | 112.1 | C721 V722 S723 Q727 L728 I729 M778 N821 L822 F825 | C721-L725 PolarHBondContact O-N 2.88Å; V722-L725 PolarHBondContact O-N 3.05Å; S723-L725 VanDerWaalsContact C-N 3.29Å; S723-L725 PolarHBondContact O-N 2.63Å; L725-Q727 PolarHBondContact O-N 2.9Å; L725-L728 PolarHBondContact O-N 3.09Å; L725-I729 HydrophobicContact CD1-CD1 4.34Å; L725-I729 HydrophobicContact CG-CD1 4.07Å; L725-I729 WeakPolarHBondContact O-CD1 3.29Å; L725-I729 VanDerWaalsContact O-CG1 3.28Å; L725-I729 WeakPolarHBondContact O-CG1 3.41Å; L725-I729 PolarHBondContact O-N 3.44Å; L725-M778 HydrophobicContact CB-CE 4.45Å; L725-N821 HydrophobicContact CD2-CB 3.51Å; L725-L822 HydrophobicContact CD1-CD1 3.99Å; L725-L822 HydrophobicContact CD2-CB 4.09Å; L725-F825 HydrophobicContact CD1-CB 3.96Å; L725-F825 HydrophobicContact CD1-CD1 3.44Å; L725-F825 VanDerWaalsContact CD1-CD1 3.44Å; L725-F825 HydrophobicContact CD1-CE1 4.2Å; L725-F825 HydrophobicContact CD1-CG 3.95Å |
| 726 | D | 78.2 | Confident | 76.6 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.214 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 173.8 | 171.3 | 63.7 | 0 | 0 | 0 | 112.8 | V722 S723 L728 I729 K730 S895 | V722-D726 PolarHBondContact O-N 2.8Å; S723-D726 PolarHBondContact O-N 3.17Å; D726-L728 PolarHBondContact O-N 2.81Å; D726-I729 PolarHBondContact O-N 2.84Å; D726-K730 WeakPolarHBondContact O-CB 3.49Å; D726-K730 WeakPolarHBondContact O-CG 3.36Å; D726-K730 PolarHBondContact O-N 2.83Å; D726-K730 WeakPolarHBondContact OD1-CE 3.46Å; D726-K730 IonicContact OD1-NZ 2.75Å; D726-K730 PolarHBondContact OD1-NZ 3.27Å; D726-K730 VanDerWaalsContact OD2-CE 3.32Å; D726-K730 WeakPolarHBondContact OD2-CE 3.48Å; D726-K730 IonicContact OD2-NZ 3.48Å; D726-K730 PolarHBondContact OD2-NZ 3.28Å; D726-S895 WeakPolarHBondContact OD1-CB 3.36Å; D726-S895 PolarHBondContact OD1-OG 3.47Å |
| 727 | Q | 75.9 | Confident | 76.4 | Confident | 67 Ų | 67 | 38.4 Ų | 38.4 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 172.4 | -69.7 | 175.9 | 8.3 | 0 | 0 | 112.5 | S723 R724 L725 K730 A731 | S723-Q727 WeakPolarHBondContact O-CG 3.39Å; S723-Q727 PolarHBondContact O-N 3.08Å; S723-Q727 VanDerWaalsContact O-N 3.09Å; R724-Q727 WeakPolarHBondContact O-CB 3.46Å; R724-Q727 PolarHBondContact O-N 2.9Å; L725-Q727 PolarHBondContact O-N 2.9Å; Q727-K730 PolarHBondContact O-N 3.31Å; Q727-A731 WeakPolarHBondContact O-CB 3.39Å; Q727-A731 PolarHBondContact O-N 2.78Å |
| 728 | L | 82.8 | Confident | 75.9 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.5 | -40.6 | 178.1 | -68 | 170 | 0 | 0 | 0 | 111.4 | R724 L725 D726 K730 A731 T732 I771 E774 V775 M778 F825 | R724-L728 HydrophobicContact CG-CD1 4.3Å; R724-L728 WeakPolarHBondContact O-CG 3.45Å; R724-L728 PolarHBondContact O-N 3.17Å; L725-L728 PolarHBondContact O-N 3.09Å; D726-L728 PolarHBondContact O-N 2.81Å; L728-K730 PolarHBondContact O-N 3.13Å; L728-A731 PolarHBondContact O-N 3.49Å; L728-T732 PolarHBondContact O-N 3.4Å; L728-T732 PolarHBondContact O-OG1 2.79Å; L728-T732 VanDerWaalsContact O-OG1 3.11Å; L728-I771 HydrophobicContact CB-CG2 4.48Å; L728-I771 HydrophobicContact CD2-CG2 4.26Å; L728-E774 HydrophobicContact CD1-CB 4.4Å; L728-E774 HydrophobicContact CD2-CB 4.46Å; L728-V775 HydrophobicContact CD1-CG2 4.32Å; L728-M778 HydrophobicContact CD1-SD 3.64Å; L728-F825 VanDerWaalsContact C-CZ 3.48Å; L728-F825 HydrophobicContact CB-CE1 3.56Å; L728-F825 HydrophobicContact CB-CZ 3.85Å |
| 729 | I | 81 | Confident | 75.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.3 | -50 | 172.5 | -68.4 | 160.5 | 0 | 0 | 0 | 110.1 | L725 D726 A731 T732 C733 F825 L891 T897 | L725-I729 HydrophobicContact CD1-CD1 4.34Å; L725-I729 HydrophobicContact CG-CD1 4.07Å; L725-I729 WeakPolarHBondContact O-CD1 3.29Å; L725-I729 VanDerWaalsContact O-CG1 3.28Å; L725-I729 WeakPolarHBondContact O-CG1 3.41Å; L725-I729 PolarHBondContact O-N 3.44Å; D726-I729 PolarHBondContact O-N 2.84Å; I729-A731 PolarHBondContact O-N 2.99Å; I729-T732 PolarHBondContact O-N 3.31Å; I729-C733 PolarHBondContact O-N 3.46Å; I729-C733 PolarHBondContact O-SG 3.28Å; I729-F825 HydrophobicContact CB-CD2 4.47Å; I729-F825 HydrophobicContact CB-CE2 4.18Å; I729-F825 HydrophobicContact CD1-CD2 4.47Å; I729-F825 HydrophobicContact CG1-CB 4.49Å; I729-F825 HydrophobicContact CG1-CD1 4.31Å; I729-F825 HydrophobicContact CG1-CD2 3.47Å; I729-F825 VanDerWaalsContact CG1-CD2 3.47Å; I729-F825 HydrophobicContact CG1-CE1 4.4Å; I729-F825 HydrophobicContact CG1-CE2 3.61Å; I729-F825 HydrophobicContact CG1-CG 3.85Å; I729-F825 HydrophobicContact CG1-CZ 4.07Å; I729-L891 HydrophobicContact CD1-CD2 3.87Å; I729-L891 HydrophobicContact CG1-CD2 4.21Å; I729-T897 HydrophobicContact CG2-CG2 3.4Å |
| 730 | K | 74.2 | Confident | 74.8 | Confident | 100 Ų | 100 | 35.8 Ų | 35.8 | 44% | 0.435 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.7 | -36.5 | 177.6 | -74.8 | 167.6 | 174.7 | 164.2 | 0 | 113.3 | D726 Q727 L728 C733 L734 S895 | D726-K730 WeakPolarHBondContact O-CB 3.49Å; D726-K730 WeakPolarHBondContact O-CG 3.36Å; D726-K730 PolarHBondContact O-N 2.83Å; D726-K730 WeakPolarHBondContact OD1-CE 3.46Å; D726-K730 IonicContact OD1-NZ 2.75Å; D726-K730 PolarHBondContact OD1-NZ 3.27Å; D726-K730 VanDerWaalsContact OD2-CE 3.32Å; D726-K730 WeakPolarHBondContact OD2-CE 3.48Å; D726-K730 IonicContact OD2-NZ 3.48Å; D726-K730 PolarHBondContact OD2-NZ 3.28Å; Q727-K730 PolarHBondContact O-N 3.31Å; L728-K730 PolarHBondContact O-N 3.13Å; K730-C733 WeakPolarHBondContact O-CB 3.38Å; K730-C733 PolarHBondContact O-N 2.94Å; K730-L734 PolarHBondContact O-N 3.45Å; K730-L734 VanDerWaalsContact O-N 3.14Å; K730-S895 WeakPolarHBondContact CE-OG 3.47Å |
| 731 | A | 73.6 | Confident | 74.3 | Confident | 38 Ų | 38 | 38.5 Ų | 38.5 | 31% | 0.314 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q727 L728 I729 L734 S735 I771 | Q727-A731 WeakPolarHBondContact O-CB 3.39Å; Q727-A731 PolarHBondContact O-N 2.78Å; L728-A731 PolarHBondContact O-N 3.49Å; I729-A731 PolarHBondContact O-N 2.99Å; A731-L734 PolarHBondContact O-N 2.94Å; A731-S735 PolarHBondContact O-N 3.47Å; A731-S735 VanDerWaalsContact O-N 3.12Å; A731-I771 HydrophobicContact CB-CD1 4Å |
| 732 | T | 77.7 | Confident | 73.5 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 173.7 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | L728 I729 L734 S735 V736 F825 F828 L832 | L728-T732 PolarHBondContact O-N 3.4Å; L728-T732 PolarHBondContact O-OG1 2.79Å; L728-T732 VanDerWaalsContact O-OG1 3.11Å; I729-T732 PolarHBondContact O-N 3.31Å; T732-L734 VanDerWaalsContact C-N 3.33Å; T732-L734 PolarHBondContact O-N 3.46Å; T732-S735 PolarHBondContact O-N 3.15Å; T732-V736 HydrophobicContact CG2-CG2 4.31Å; T732-V736 VanDerWaalsContact O-CG2 3.31Å; T732-V736 WeakPolarHBondContact O-CG2 3.31Å; T732-V736 PolarHBondContact O-N 3.34Å; T732-F825 WeakPolarHBondContact OG1-CZ 3.18Å; T732-F828 HydrophobicContact CG2-CD1 4.41Å; T732-F828 HydrophobicContact CG2-CE1 3.76Å; T732-L832 HydrophobicContact CG2-CD1 3.44Å; T732-L832 VanDerWaalsContact CG2-CD1 3.44Å |
| 733 | C | 73.8 | Confident | 72.6 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.054 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.5 | -46.9 | 175.1 | -63.2 | 0 | 0 | 0 | 0 | 112.3 | I729 K730 N737 T897 Q900 | I729-C733 PolarHBondContact O-N 3.46Å; I729-C733 PolarHBondContact O-SG 3.28Å; K730-C733 WeakPolarHBondContact O-CB 3.38Å; K730-C733 PolarHBondContact O-N 2.94Å; C733-N737 WeakPolarHBondContact O-CB 3.23Å; C733-N737 PolarHBondContact O-N 2.98Å; C733-N737 VanDerWaalsContact O-N 3.08Å; C733-T897 WeakPolarHBondContact SG-CG2 3.47Å; C733-Q900 HydrophobicContact CB-CG 4.33Å |
| 734 | L | 68.3 | Low | 71.9 | Confident | 121 Ų | 121 | 41 Ų | 41 | 63% | 0.634 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -64.4 | -48 | -179.8 | -78.6 | 160.1 | 0 | 0 | 0 | 111.6 | K730 A731 T732 V736 N737 T738 | K730-L734 PolarHBondContact O-N 3.45Å; K730-L734 VanDerWaalsContact O-N 3.14Å; A731-L734 PolarHBondContact O-N 2.94Å; T732-L734 VanDerWaalsContact C-N 3.33Å; T732-L734 PolarHBondContact O-N 3.46Å; L734-V736 VanDerWaalsContact C-N 3.34Å; L734-V736 PolarHBondContact O-N 3.44Å; L734-N737 PolarHBondContact O-N 3.13Å; L734-N737 VanDerWaalsContact O-N 3.14Å; L734-T738 PolarHBondContact O-N 3.26Å |
| 735 | S | 70.7 | Confident | 70.5 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -37 | 179.2 | -179.1 | 0 | 0 | 0 | 0 | 112.8 | A731 T732 T738 A739 | A731-S735 PolarHBondContact O-N 3.47Å; A731-S735 VanDerWaalsContact O-N 3.12Å; T732-S735 PolarHBondContact O-N 3.15Å; S735-T738 PolarHBondContact O-OG1 3.32Å; S735-T738 VanDerWaalsContact O-OG1 3.06Å; S735-A739 WeakPolarHBondContact O-CB 3.37Å; S735-A739 PolarHBondContact O-N 2.52Å |
| 736 | V | 73.2 | Confident | 69.1 | Low | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.6 | -37.7 | 173.9 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | T732 L734 A740 L832 Y836 V901 | T732-V736 HydrophobicContact CG2-CG2 4.31Å; T732-V736 VanDerWaalsContact O-CG2 3.31Å; T732-V736 WeakPolarHBondContact O-CG2 3.31Å; T732-V736 PolarHBondContact O-N 3.34Å; L734-V736 VanDerWaalsContact C-N 3.34Å; L734-V736 PolarHBondContact O-N 3.44Å; V736-A740 WeakPolarHBondContact O-CB 3.22Å; V736-A740 PolarHBondContact O-N 3.12Å; V736-L832 HydrophobicContact CG2-CD1 3.88Å; V736-L832 HydrophobicContact CG2-CD2 3.87Å; V736-Y836 WeakPolarHBondContact CA-OH 3.47Å; V736-Y836 HydrophobicContact CG2-CE2 4.44Å; V736-V901 HydrophobicContact CG1-CG2 4.4Å |
| 737 | N | 69.8 | Low | 67.7 | Low | 53 Ų | 53 | 48.5 Ų | 48.5 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.2 | -41.4 | 178.4 | -167.5 | 80.9 | 0 | 0 | 0 | 112.7 | C733 L734 A739 A740 E741 Q900 | C733-N737 WeakPolarHBondContact O-CB 3.23Å; C733-N737 PolarHBondContact O-N 2.98Å; C733-N737 VanDerWaalsContact O-N 3.08Å; L734-N737 PolarHBondContact O-N 3.13Å; L734-N737 VanDerWaalsContact O-N 3.14Å; N737-A739 VanDerWaalsContact C-N 3.33Å; N737-A739 PolarHBondContact O-N 3.17Å; N737-A740 WeakPolarHBondContact O-CB 3.45Å; N737-A740 PolarHBondContact O-N 2.91Å; N737-E741 VanDerWaalsContact ND2-CD 3.3Å; N737-E741 PolarHBondContact ND2-OE1 3.38Å; N737-E741 WeakPolarHBondContact O-CG 3.27Å; N737-E741 PolarHBondContact O-N 2.79Å; N737-Q900 HydrophobicContact CB-CB 4.19Å; N737-Q900 HydrophobicContact CB-CG 4.02Å |
| 738 | T | 66.2 | Low | 66 | Low | 57 Ų | 57 | 51.9 Ų | 51.9 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.6 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | L734 S735 A740 E741 T742 E764 | L734-T738 PolarHBondContact O-N 3.26Å; S735-T738 PolarHBondContact O-OG1 3.32Å; S735-T738 VanDerWaalsContact O-OG1 3.06Å; T738-A740 VanDerWaalsContact C-N 3.28Å; T738-A740 PolarHBondContact O-N 3.21Å; T738-E741 PolarHBondContact O-N 2.86Å; T738-T742 WeakPolarHBondContact O-CG2 3.37Å; T738-T742 PolarHBondContact O-N 2.99Å; T738-T742 PolarHBondContact O-OG1 2.76Å; T738-T742 VanDerWaalsContact O-OG1 3.08Å; T738-E764 PolarHBondContact OG1-OE1 3.19Å |
| 739 | A | 67.2 | Low | 63.8 | Low | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -32.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S735 N737 T742 Y743 L760 E764 Y836 | S735-A739 WeakPolarHBondContact O-CB 3.37Å; S735-A739 PolarHBondContact O-N 2.52Å; N737-A739 VanDerWaalsContact C-N 3.33Å; N737-A739 PolarHBondContact O-N 3.17Å; A739-T742 WeakPolarHBondContact CA-OG1 3.28Å; A739-T742 PolarHBondContact O-OG1 3.02Å; A739-Y743 WeakPolarHBondContact O-CB 3.42Å; A739-Y743 PolarHBondContact O-N 3.06Å; A739-L760 HydrophobicContact CB-CD2 3.74Å; A739-E764 WeakPolarHBondContact CA-OE1 3.36Å; A739-E764 PolarHBondContact N-OE1 3.07Å; A739-Y836 HydrophobicContact CB-CE1 4.13Å |
| 740 | A | 66.5 | Low | 61.4 | Low | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.3 | -36.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V736 N737 T738 K744 W903 | V736-A740 WeakPolarHBondContact O-CB 3.22Å; V736-A740 PolarHBondContact O-N 3.12Å; N737-A740 WeakPolarHBondContact O-CB 3.45Å; N737-A740 PolarHBondContact O-N 2.91Å; T738-A740 VanDerWaalsContact C-N 3.28Å; T738-A740 PolarHBondContact O-N 3.21Å; A740-K744 WeakPolarHBondContact O-CB 3.12Å; A740-K744 WeakPolarHBondContact O-CD 3.12Å; A740-K744 WeakPolarHBondContact O-CG 3.15Å; A740-K744 PolarHBondContact O-N 3.18Å; A740-K744 VanDerWaalsContact O-N 3.12Å; A740-W903 HydrophobicContact CB-CB 4.44Å; A740-W903 HydrophobicContact CB-CD2 3.73Å; A740-W903 HydrophobicContact CB-CE3 3.32Å; A740-W903 HydrophobicContact CB-CG 4.19Å; A740-W903 HydrophobicContact CB-CZ3 3.96Å |
| 741 | E | 63.2 | Low | 59.2 | Low | 96 Ų | 96 | 69.3 Ų | 69.3 | 45% | 0.449 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -74.2 | -43.7 | 178.2 | -73.9 | 172.3 | -173.6 | 0 | 0 | 112.2 | N737 T738 Y743 K744 N745 | N737-E741 VanDerWaalsContact ND2-CD 3.3Å; N737-E741 PolarHBondContact ND2-OE1 3.38Å; N737-E741 WeakPolarHBondContact O-CG 3.27Å; N737-E741 PolarHBondContact O-N 2.79Å; T738-E741 PolarHBondContact O-N 2.86Å; E741-Y743 VanDerWaalsContact C-N 3.34Å; E741-Y743 PolarHBondContact O-N 2.79Å; E741-K744 PolarHBondContact O-N 2.83Å; E741-N745 WeakPolarHBondContact O-CB 3.4Å; E741-N745 PolarHBondContact O-N 3.46Å; E741-N745 PolarHBondContact O-ND2 2.88Å |
| 742 | T | 61.3 | Low | 57 | Low | 54 Ų | 54 | 75.6 Ų | 75.6 | 33% | 0.331 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 174.8 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | T738 A739 N745 Q746 | T738-T742 WeakPolarHBondContact O-CG2 3.37Å; T738-T742 PolarHBondContact O-N 2.99Å; T738-T742 PolarHBondContact O-OG1 2.76Å; T738-T742 VanDerWaalsContact O-OG1 3.08Å; A739-T742 WeakPolarHBondContact CA-OG1 3.28Å; A739-T742 PolarHBondContact O-OG1 3.02Å; T742-N745 PolarHBondContact O-N 3.35Å; T742-Q746 WeakPolarHBondContact O-CG 3.44Å; T742-Q746 PolarHBondContact O-N 2.98Å |
| 743 | Y | 62.5 | Low | 54.6 | Low | 22 Ų | 22 | 82.2 Ų | 82.2 | 9% | 0.086 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.1 | -40 | 178 | -166.2 | -91.8 | 0 | 0 | 0 | 113.3 | A739 E741 N745 Q746 Q747 V759 W903 Y907 | A739-Y743 WeakPolarHBondContact O-CB 3.42Å; A739-Y743 PolarHBondContact O-N 3.06Å; E741-Y743 VanDerWaalsContact C-N 3.34Å; E741-Y743 PolarHBondContact O-N 2.79Å; Y743-N745 VanDerWaalsContact C-N 3.31Å; Y743-N745 PolarHBondContact O-N 3.38Å; Y743-Q746 PolarHBondContact O-N 2.87Å; Y743-Q747 HydrophobicContact CD1-CG 4.05Å; Y743-Q747 HydrophobicContact CE1-CG 3.68Å; Y743-Q747 VanDerWaalsContact CE1-NE2 3.34Å; Y743-Q747 PolarHBondContact O-N 2.81Å; Y743-V759 HydrophobicContact CD2-CG1 3.42Å; Y743-V759 VanDerWaalsContact CD2-CG1 3.42Å; Y743-V759 HydrophobicContact CE2-CG1 3.44Å; Y743-V759 VanDerWaalsContact CE2-CG1 3.44Å; Y743-W903 AromaticContact CD1-CH2 3.63Å; Y743-W903 HydrophobicContact CD1-CH2 3.63Å; Y743-W903 AromaticContact CD1-CZ2 3.44Å; Y743-W903 HydrophobicContact CD1-CZ2 3.44Å; Y743-W903 VanDerWaalsContact CD1-CZ2 3.44Å; Y743-W903 HydrophobicContact CE1-CH2 4.4Å; Y743-W903 HydrophobicContact CE1-CZ2 4.14Å; Y743-W903 AromaticContact CG-CH2 3.88Å; Y743-W903 HydrophobicContact CG-CH2 3.88Å; Y743-W903 HydrophobicContact CG-CZ2 4.13Å; Y743-Y907 HydrophobicContact CE1-CD2 4.03Å; Y743-Y907 AromaticContact CE1-CE2 3.6Å; Y743-Y907 HydrophobicContact CE1-CE2 3.6Å; Y743-Y907 AromaticContact CZ-CE2 3.84Å; Y743-Y907 AromaticContact CZ-CZ 3.94Å; Y743-Y907 PolarHBondContact OH-OH 2.81Å; Y743-Y907 VanDerWaalsContact OH-OH 3.13Å |
| 744 | K | 59.3 | Low | 52.5 | Low | 91 Ų | 91 | 91 Ų | 91 | 40% | 0.396 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 171.5 | -77.3 | 167.3 | -174.3 | 170.3 | 0 | 111.6 | A740 E741 Q747 N748 W903 | A740-K744 WeakPolarHBondContact O-CB 3.12Å; A740-K744 WeakPolarHBondContact O-CD 3.12Å; A740-K744 WeakPolarHBondContact O-CG 3.15Å; A740-K744 PolarHBondContact O-N 3.18Å; A740-K744 VanDerWaalsContact O-N 3.12Å; E741-K744 PolarHBondContact O-N 2.83Å; K744-Q747 PolarHBondContact O-N 3.31Å; K744-N748 PolarHBondContact O-ND2 2.89Å; K744-W903 VanDerWaalsContact CE-CD1 3.45Å |
| 745 | N | 53.2 | Low | 50.5 | Low | 104 Ų | 104 | 93.4 Ų | 93.4 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.7 | -38.7 | 178.5 | -68.7 | -23 | 0 | 0 | 0 | 111.8 | E741 T742 Y743 N748 | E741-N745 WeakPolarHBondContact O-CB 3.4Å; E741-N745 PolarHBondContact O-N 3.46Å; E741-N745 PolarHBondContact O-ND2 2.88Å; T742-N745 PolarHBondContact O-N 3.35Å; Y743-N745 VanDerWaalsContact C-N 3.31Å; Y743-N745 PolarHBondContact O-N 3.38Å; N745-N748 PolarHBondContact O-N 2.82Å |
| 746 | Q | 53 | Low | 48.5 | Very low | 101 Ų | 101 | 97.1 Ų | 97.1 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 173.8 | -74 | -180 | 1.6 | 0 | 0 | 113.3 | T742 Y743 N748 L749 | T742-Q746 WeakPolarHBondContact O-CG 3.44Å; T742-Q746 PolarHBondContact O-N 2.98Å; Y743-Q746 PolarHBondContact O-N 2.87Å; Q746-N748 PolarHBondContact O-N 2.97Å; Q746-L749 PolarHBondContact O-N 2.87Å |
| 747 | Q | 49.2 | Very low | 46.6 | Very low | 88 Ų | 88 | 101.6 Ų | 101.6 | 41% | 0.411 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -25.4 | 177.5 | -77.5 | -161.8 | -34.4 | 0 | 0 | 113.7 | Y743 K744 L749 | Y743-Q747 HydrophobicContact CD1-CG 4.05Å; Y743-Q747 HydrophobicContact CE1-CG 3.68Å; Y743-Q747 VanDerWaalsContact CE1-NE2 3.34Å; Y743-Q747 PolarHBondContact O-N 2.81Å; K744-Q747 PolarHBondContact O-N 3.31Å; Q747-L749 PolarHBondContact O-N 3.48Å |
| 748 | N | 40.3 | Very low | 45.1 | Very low | 138 Ų | 138 | 104.3 Ų | 104.3 | 74% | 0.738 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -7.8 | 174.2 | -68.1 | -36.6 | 0 | 0 | 0 | 113.6 | K744 N745 Q746 | K744-N748 PolarHBondContact O-ND2 2.89Å; N745-N748 PolarHBondContact O-N 2.82Å; Q746-N748 PolarHBondContact O-N 2.97Å |
| 749 | L | 35.2 | Very low | 44.3 | Very low | 141 Ų | 141 | 102.5 Ų | 102.5 | 74% | 0.738 | 56% | 0.555 | S | S | * | * | trans | -106.3 | 40.2 | -173.3 | -74.2 | 162.7 | 0 | 0 | 0 | 113.6 | Q746 Q747 L751 | Q746-L749 PolarHBondContact O-N 2.87Å; Q747-L749 PolarHBondContact O-N 3.48Å; L749-L751 PolarHBondContact O-N 3.19Å; L749-L751 VanDerWaalsContact O-N 3.15Å | ||
| 750 | Q | 31.9 | Very low | 43.5 | Very low | 166 Ų | 166 | 103.6 Ų | 103.6 | 78% | 0.776 | 56% | 0.56 | S | S | * | * | trans | -85 | 71.3 | 177.6 | -70.1 | -160.6 | -1.8 | 0 | 0 | 113.9 | ||||
| 751 | L | 27.2 | Very low | 42.9 | Very low | 163 Ų | 163 | 106.1 Ų | 106.1 | 85% | 0.853 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -152.2 | 25 | 168.1 | -123.6 | 165.9 | 0 | 0 | 0 | 117.8 | L749 | L749-L751 PolarHBondContact O-N 3.19Å; L749-L751 VanDerWaalsContact O-N 3.15Å |
| 752 | L | 27.2 | Very low | 42.4 | Very low | 171 Ų | 171 | 109.8 Ų | 109.8 | 90% | 0.895 | 60% | 0.595 | S | S | * | * | trans | -151.7 | 143 | 163 | -116.3 | 153.1 | 0 | 0 | 0 | 113.7 | ||||
| 753 | N | 28.7 | Very low | 42 | Very low | 144 Ų | 144 | 109.9 Ų | 109.9 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | trans | -98.3 | 129.4 | -172 | -66.3 | -77.8 | 0 | 0 | 0 | 112.4 | ||||
| 754 | K | 29.2 | Very low | 41.7 | Very low | 191 Ų | 191 | 109.5 Ų | 109.5 | 83% | 0.83 | 60% | 0.6 | S | S | * | * | 164.8 | 127.3 | 115.8 | -89.8 | 166.3 | -178 | 179.2 | 0 | 112.7 | |||||
| 755 | L | 26.2 | Very low | 41.7 | Very low | 173 Ų | 173 | 108.2 Ų | 108.2 | 91% | 0.906 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 49 | 111.6 | 145.3 | -64.1 | 159.1 | 0 | 0 | 0 | 119.4 | ||
| 756 | G | 29.1 | Very low | 42 | Very low | 79 Ų | 79 | 111.3 Ų | 111.3 | 81% | 0.814 | 61% | 0.605 | S | S | * | * | trans | 118.6 | -13.4 | 139.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | T758 | G756-T758 PolarHBondContact O-N 3.36Š| ||
| 757 | A | 33.4 | Very low | 42.6 | Very low | 97 Ų | 97 | 111 Ų | 111 | 80% | 0.802 | 60% | 0.603 | S | S | * | * | trans | -66.9 | 129.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 758 | T | 37.2 | Very low | 43.4 | Very low | 109 Ų | 109 | 107.7 Ų | 107.7 | 67% | 0.669 | 59% | 0.588 | S | S | * | * | trans | -71 | 139.1 | 173.5 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | G756 L760 | G756-T758 PolarHBondContact O-N 3.36Å; T758-L760 PolarHBondContact O-N 3.48Å; T758-L760 PolarHBondContact OG1-O 2.94Å | ||
| 759 | V | 49.5 | Very low | 44.7 | Very low | 19 Ų | 19 | 104.6 Ų | 104.6 | 12% | 0.115 | 57% | 0.572 | C | S | . | * | S | Bend | trans | -78.2 | -6.6 | -169.8 | -169.9 | 0 | 0 | 0 | 0 | 113.5 | Y743 I839 N843 | Y743-V759 HydrophobicContact CD2-CG1 3.42Å; Y743-V759 VanDerWaalsContact CD2-CG1 3.42Å; Y743-V759 HydrophobicContact CE2-CG1 3.44Å; Y743-V759 VanDerWaalsContact CE2-CG1 3.44Å; V759-I839 HydrophobicContact CB-CG2 4.2Å; V759-I839 HydrophobicContact CG1-CG2 3.73Å; V759-I839 HydrophobicContact CG2-CG2 4.27Å; V759-N843 WeakPolarHBondContact CG2-ND2 3.21Å |
| 760 | L | 50.1 | Low | 46.3 | Very low | 28 Ų | 28 | 100.6 Ų | 100.6 | 15% | 0.147 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -126.1 | 150.8 | 169.2 | -66 | 172.2 | 0 | 0 | 0 | 108.1 | A739 T758 V765 Y836 | A739-L760 HydrophobicContact CB-CD2 3.74Å; T758-L760 PolarHBondContact O-N 3.48Å; T758-L760 PolarHBondContact OG1-O 2.94Å; L760-V765 HydrophobicContact CB-CG2 3.82Å; L760-V765 HydrophobicContact CD1-CG2 3.85Å; L760-Y836 HydrophobicContact CD1-CD1 3.68Å; L760-Y836 HydrophobicContact CD1-CE1 4.34Å; L760-Y836 HydrophobicContact CD1-CG 3.83Å; L760-Y836 HydrophobicContact CD2-CD1 3.96Å; L760-Y836 HydrophobicContact CD2-CE1 3.88Å; L760-Y836 HydrophobicContact CG-CD1 4.21Å |
| 761 | S | 54.1 | Low | 48.3 | Very low | 54 Ų | 54 | 93.5 Ų | 93.5 | 38% | 0.378 | 52% | 0.52 | S | S | . | . | trans | -68.2 | 150.6 | 165.1 | 66 | 0 | 0 | 0 | 0 | 110.6 | A763 E764 V765 | S761-A763 PolarHBondContact O-N 3.33Å; S761-A763 VanDerWaalsContact O-N 3.16Å; S761-E764 WeakPolarHBondContact CB-OE2 3.31Å; S761-E764 PolarHBondContact N-OE2 2.83Å; S761-E764 PolarHBondContact O-N 3.03Å; S761-E764 VanDerWaalsContact O-N 3.11Å; S761-E764 VanDerWaalsContact OG-CD 3.29Å; S761-E764 VanDerWaalsContact OG-CG 3.32Å; S761-E764 WeakPolarHBondContact OG-CG 3.41Å; S761-E764 PolarHBondContact OG-N 2.99Å; S761-E764 VanDerWaalsContact OG-N 3.15Å; S761-E764 PolarHBondContact OG-OE2 2.99Å; S761-V765 PolarHBondContact O-N 3.11Å; S761-V765 VanDerWaalsContact O-N 3.16Å | ||
| 762 | E | 52.6 | Low | 50.5 | Low | 173 Ų | 173 | 87 Ų | 87 | 81% | 0.808 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.3 | -29.4 | 172 | -63.9 | -170.8 | 134.8 | 0 | 0 | 111.6 | Y766 | E762-Y766 WeakPolarHBondContact O-CB 3.3Å; E762-Y766 PolarHBondContact O-N 3.05Å |
| 763 | A | 52.8 | Low | 52.7 | Low | 56 Ų | 56 | 83.9 Ų | 83.9 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S761 Y766 Q767 | S761-A763 PolarHBondContact O-N 3.33Å; S761-A763 VanDerWaalsContact O-N 3.16Å; A763-Y766 PolarHBondContact O-N 3Å; A763-Q767 WeakPolarHBondContact O-CB 3.34Å; A763-Q767 VanDerWaalsContact O-CG 3.28Å; A763-Q767 WeakPolarHBondContact O-CG 3.19Å; A763-Q767 PolarHBondContact O-N 3.42Å |
| 764 | E | 56.1 | Low | 55.1 | Low | 14 Ų | 14 | 80.4 Ų | 80.4 | 7% | 0.065 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 176.2 | -72.7 | 157.4 | 131.1 | 0 | 0 | 111.2 | T738 A739 S761 Y766 Q767 I768 | T738-E764 PolarHBondContact OG1-OE1 3.19Å; A739-E764 WeakPolarHBondContact CA-OE1 3.36Å; A739-E764 PolarHBondContact N-OE1 3.07Å; S761-E764 WeakPolarHBondContact CB-OE2 3.31Å; S761-E764 PolarHBondContact N-OE2 2.83Å; S761-E764 PolarHBondContact O-N 3.03Å; S761-E764 VanDerWaalsContact O-N 3.11Å; S761-E764 VanDerWaalsContact OG-CD 3.29Å; S761-E764 VanDerWaalsContact OG-CG 3.32Å; S761-E764 WeakPolarHBondContact OG-CG 3.41Å; S761-E764 PolarHBondContact OG-N 2.99Å; S761-E764 VanDerWaalsContact OG-N 3.15Å; S761-E764 PolarHBondContact OG-OE2 2.99Å; E764-Y766 VanDerWaalsContact C-N 3.33Å; E764-Y766 PolarHBondContact O-N 2.83Å; E764-Q767 PolarHBondContact O-N 3.44Å; E764-I768 WeakPolarHBondContact O-CG1 3.22Å; E764-I768 PolarHBondContact O-N 3.3Å |
| 765 | V | 59.2 | Low | 57.4 | Low | 64 Ų | 64 | 71.4 Ų | 71.4 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 111 | L760 S761 N769 | L760-V765 HydrophobicContact CB-CG2 3.82Å; L760-V765 HydrophobicContact CD1-CG2 3.85Å; S761-V765 PolarHBondContact O-N 3.11Å; S761-V765 VanDerWaalsContact O-N 3.16Å; V765-N769 WeakPolarHBondContact O-CB 3.35Å; V765-N769 VanDerWaalsContact O-CG 3.32Å; V765-N769 PolarHBondContact O-N 2.79Å; V765-N769 PolarHBondContact O-ND2 3.31Å; V765-N769 VanDerWaalsContact O-ND2 3.15Å |
| 766 | Y | 60.9 | Low | 59.7 | Low | 169 Ų | 169 | 67.2 Ų | 67.2 | 66% | 0.663 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 176 | 178.9 | -97.7 | 0 | 0 | 0 | 112.4 | E762 A763 E764 N769 T770 | E762-Y766 WeakPolarHBondContact O-CB 3.3Å; E762-Y766 PolarHBondContact O-N 3.05Å; A763-Y766 PolarHBondContact O-N 3Å; E764-Y766 VanDerWaalsContact C-N 3.33Å; E764-Y766 PolarHBondContact O-N 2.83Å; Y766-N769 PolarHBondContact O-N 3.05Å; Y766-T770 WeakPolarHBondContact O-CB 3.46Å; Y766-T770 PolarHBondContact O-N 2.78Å; Y766-T770 PolarHBondContact O-OG1 3.06Å |
| 767 | Q | 64.1 | Low | 61.8 | Low | 95 Ų | 95 | 65 Ų | 65 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.9 | -49.5 | 175.8 | -76.7 | 175.3 | 21.7 | 0 | 0 | 111.7 | A763 E764 N769 T770 I771 | A763-Q767 WeakPolarHBondContact O-CB 3.34Å; A763-Q767 VanDerWaalsContact O-CG 3.28Å; A763-Q767 WeakPolarHBondContact O-CG 3.19Å; A763-Q767 PolarHBondContact O-N 3.42Å; E764-Q767 PolarHBondContact O-N 3.44Å; Q767-N769 VanDerWaalsContact C-N 3.33Å; Q767-N769 PolarHBondContact O-N 2.97Å; Q767-T770 PolarHBondContact O-N 2.87Å; Q767-I771 WeakPolarHBondContact O-CG1 3.31Å; Q767-I771 PolarHBondContact O-N 3.14Å |
| 768 | I | 66.6 | Low | 64.1 | Low | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.087 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | 179.8 | -67.8 | 169.2 | 0 | 0 | 0 | 111 | E764 I771 N772 Y836 | E764-I768 WeakPolarHBondContact O-CG1 3.22Å; E764-I768 PolarHBondContact O-N 3.3Å; I768-I771 PolarHBondContact O-N 3.14Å; I768-N772 WeakPolarHBondContact O-CB 3.5Å; I768-N772 PolarHBondContact O-N 3Å; I768-N772 VanDerWaalsContact O-N 3.08Å; I768-Y836 HydrophobicContact CD1-CD2 3.88Å; I768-Y836 HydrophobicContact CD1-CE2 3.67Å |
| 769 | N | 67.1 | Low | 66 | Low | 74 Ų | 74 | 57.8 Ų | 57.8 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 175.4 | -75.5 | -32.5 | 0 | 0 | 0 | 112.5 | V765 Y766 Q767 N772 E773 | V765-N769 WeakPolarHBondContact O-CB 3.35Å; V765-N769 VanDerWaalsContact O-CG 3.32Å; V765-N769 PolarHBondContact O-N 2.79Å; V765-N769 PolarHBondContact O-ND2 3.31Å; V765-N769 VanDerWaalsContact O-ND2 3.15Å; Y766-N769 PolarHBondContact O-N 3.05Å; Q767-N769 VanDerWaalsContact C-N 3.33Å; Q767-N769 PolarHBondContact O-N 2.97Å; N769-N772 WeakPolarHBondContact O-CB 3.47Å; N769-N772 PolarHBondContact O-N 3.47Å; N769-E773 PolarHBondContact O-N 2.96Å |
| 770 | T | 68.3 | Low | 67.2 | Low | 57 Ų | 57 | 64.2 Ų | 64.2 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 177.6 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | Y766 Q767 N772 E773 E774 | Y766-T770 WeakPolarHBondContact O-CB 3.46Å; Y766-T770 PolarHBondContact O-N 2.78Å; Y766-T770 PolarHBondContact O-OG1 3.06Å; Q767-T770 PolarHBondContact O-N 2.87Å; T770-N772 VanDerWaalsContact C-N 3.31Å; T770-N772 PolarHBondContact O-N 2.89Å; T770-E773 PolarHBondContact O-N 3.13Å; T770-E774 PolarHBondContact O-N 3.34Å |
| 771 | I | 74.2 | Confident | 68.5 | Low | 16 Ų | 16 | 65.9 Ų | 65.9 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -37.9 | 176 | -61.8 | 167.5 | 0 | 0 | 0 | 110.9 | L728 A731 Q767 I768 E774 V775 F825 I829 | L728-I771 HydrophobicContact CB-CG2 4.48Å; L728-I771 HydrophobicContact CD2-CG2 4.26Å; A731-I771 HydrophobicContact CB-CD1 4Å; Q767-I771 WeakPolarHBondContact O-CG1 3.31Å; Q767-I771 PolarHBondContact O-N 3.14Å; I768-I771 PolarHBondContact O-N 3.14Å; I771-E774 PolarHBondContact O-N 3.17Å; I771-V775 WeakPolarHBondContact O-CG2 3.35Å; I771-V775 PolarHBondContact O-N 3.5Å; I771-F825 HydrophobicContact CG2-CE1 4.33Å; I771-F825 HydrophobicContact CG2-CZ 4.06Å; I771-I829 HydrophobicContact CG2-CD1 3.73Å |
| 772 | N | 73.3 | Confident | 69.7 | Low | 27 Ų | 27 | 64.5 Ų | 64.5 | 14% | 0.144 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 177.2 | -167.5 | 7.6 | 0 | 0 | 0 | 112.3 | I768 N769 T770 V775 K776 I829 | I768-N772 WeakPolarHBondContact O-CB 3.5Å; I768-N772 PolarHBondContact O-N 3Å; I768-N772 VanDerWaalsContact O-N 3.08Å; N769-N772 WeakPolarHBondContact O-CB 3.47Å; N769-N772 PolarHBondContact O-N 3.47Å; T770-N772 VanDerWaalsContact C-N 3.31Å; T770-N772 PolarHBondContact O-N 2.89Å; N772-V775 PolarHBondContact O-N 2.77Å; N772-K776 WeakPolarHBondContact O-CG 3.3Å; N772-K776 PolarHBondContact O-N 3.03Å; N772-I829 HydrophobicContact CB-CG2 3.95Å |
| 773 | E | 73.4 | Confident | 70.9 | Confident | 106 Ų | 106 | 60 Ų | 60 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 174.3 | -61.7 | -48.4 | 133.7 | 0 | 0 | 113 | N769 T770 V775 K776 G777 | N769-E773 PolarHBondContact O-N 2.96Å; T770-E773 PolarHBondContact O-N 3.13Å; E773-V775 PolarHBondContact O-N 3.15Å; E773-K776 VanDerWaalsContact CD-NZ 3.33Å; E773-K776 PolarHBondContact O-N 2.87Å; E773-K776 IonicContact OE1-NZ 3.63Å; E773-K776 PolarHBondContact OE1-NZ 3.17Å; E773-K776 WeakPolarHBondContact OE2-CD 3.25Å; E773-K776 IonicContact OE2-NZ 2.68Å; E773-K776 PolarHBondContact OE2-NZ 3.34Å; E773-G777 PolarHBondContact O-N 3.1Å |
| 774 | E | 79 | Confident | 71.8 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 171.5 | -84.4 | -160.3 | -133.5 | 0 | 0 | 111.9 | R724 L728 T770 I771 K776 G777 M778 | R724-E774 IonicContact CZ-OE1 3.5Å; R724-E774 IonicContact CZ-OE2 3.14Å; R724-E774 IonicContact NE-OE2 3.4Å; R724-E774 PolarHBondContact NE-OE2 3Å; R724-E774 VanDerWaalsContact NE-OE2 3.1Å; R724-E774 IonicContact NH2-OE1 2.74Å; R724-E774 PolarHBondContact NH2-OE1 3Å; R724-E774 IonicContact NH2-OE2 2.62Å; R724-E774 PolarHBondContact NH2-OE2 3.13Å; L728-E774 HydrophobicContact CD1-CB 4.4Å; L728-E774 HydrophobicContact CD2-CB 4.46Å; T770-E774 PolarHBondContact O-N 3.34Å; I771-E774 PolarHBondContact O-N 3.17Å; E774-K776 PolarHBondContact O-N 2.57Å; E774-G777 WeakPolarHBondContact O-CA 3.37Å; E774-G777 PolarHBondContact O-N 2.7Å; E774-G777 VanDerWaalsContact O-N 3.12Å; E774-M778 WeakPolarHBondContact O-CG 3.4Å; E774-M778 PolarHBondContact O-N 3.27Å |
| 775 | V | 78.7 | Confident | 73 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 178.8 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | L728 I771 N772 E773 G777 M778 L779 L822 F825 K826 I829 | L728-V775 HydrophobicContact CD1-CG2 4.32Å; I771-V775 WeakPolarHBondContact O-CG2 3.35Å; I771-V775 PolarHBondContact O-N 3.5Å; N772-V775 PolarHBondContact O-N 2.77Å; E773-V775 PolarHBondContact O-N 3.15Å; V775-G777 VanDerWaalsContact C-N 3.34Å; V775-G777 PolarHBondContact O-N 3.32Å; V775-M778 PolarHBondContact O-N 3.03Å; V775-L779 HydrophobicContact CG1-CD1 3.94Å; V775-L779 WeakPolarHBondContact O-CB 3.29Å; V775-L779 WeakPolarHBondContact O-CD1 3.06Å; V775-L779 VanDerWaalsContact O-CG 3.23Å; V775-L779 WeakPolarHBondContact O-CG 3.39Å; V775-L779 PolarHBondContact O-N 3.15Å; V775-L822 HydrophobicContact CG1-CD1 4.1Å; V775-F825 HydrophobicContact CG2-CD1 3.63Å; V775-F825 HydrophobicContact CG2-CE1 3.44Å; V775-F825 VanDerWaalsContact CG2-CE1 3.44Å; V775-K826 HydrophobicContact CG1-CB 4.12Å; V775-I829 HydrophobicContact CB-CD1 4.27Å; V775-I829 HydrophobicContact CG2-CD1 3.73Å |
| 776 | K | 74.8 | Confident | 74.1 | Confident | 85 Ų | 85 | 64 Ų | 64 | 37% | 0.37 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 169.7 | -75 | 167 | 177.5 | 177 | 0 | 111.8 | N772 E773 E774 L779 Q780 | N772-K776 WeakPolarHBondContact O-CG 3.3Å; N772-K776 PolarHBondContact O-N 3.03Å; E773-K776 VanDerWaalsContact CD-NZ 3.33Å; E773-K776 PolarHBondContact O-N 2.87Å; E773-K776 IonicContact OE1-NZ 3.63Å; E773-K776 PolarHBondContact OE1-NZ 3.17Å; E773-K776 WeakPolarHBondContact OE2-CD 3.25Å; E773-K776 IonicContact OE2-NZ 2.68Å; E773-K776 PolarHBondContact OE2-NZ 3.34Å; E774-K776 PolarHBondContact O-N 2.57Å; K776-L779 PolarHBondContact O-N 2.88Å; K776-Q780 WeakPolarHBondContact O-CG 3.21Å; K776-Q780 PolarHBondContact O-N 2.83Å |
| 777 | G | 73.4 | Confident | 75 | Confident | 31 Ų | 31 | 63.1 Ų | 63.1 | 32% | 0.32 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.6 | -48.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E773 E774 V775 L779 Q780 T781 | E773-G777 PolarHBondContact O-N 3.1Å; E774-G777 WeakPolarHBondContact O-CA 3.37Å; E774-G777 PolarHBondContact O-N 2.7Å; E774-G777 VanDerWaalsContact O-N 3.12Å; V775-G777 VanDerWaalsContact C-N 3.34Å; V775-G777 PolarHBondContact O-N 3.32Å; G777-L779 VanDerWaalsContact C-N 3.28Å; G777-L779 PolarHBondContact O-N 2.64Å; G777-Q780 PolarHBondContact O-N 3.43Å; G777-Q780 VanDerWaalsContact O-N 3.15Å; G777-T781 PolarHBondContact O-N 2.87Å |
| 778 | M | 80.3 | Confident | 75.8 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 12% | 0.118 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -34.9 | 177.1 | -67.9 | 177.7 | 69.1 | 0 | 0 | 113 | R724 L725 L728 E774 V775 T781 Y818 L822 | R724-M778 HydrophobicContact CG-SD 4.46Å; L725-M778 HydrophobicContact CB-CE 4.45Å; L728-M778 HydrophobicContact CD1-SD 3.64Å; E774-M778 WeakPolarHBondContact O-CG 3.4Å; E774-M778 PolarHBondContact O-N 3.27Å; V775-M778 PolarHBondContact O-N 3.03Å; M778-T781 PolarHBondContact O-OG1 3.33Å; M778-Y818 HydrophobicContact CE-CE2 3.7Å; M778-Y818 WeakPolarHBondContact CE-OH 3.43Å; M778-L822 HydrophobicContact CB-CD1 4.19Å; M778-L822 HydrophobicContact CB-CD2 3.91Å; M778-L822 HydrophobicContact CE-CD1 4.32Å |
| 779 | L | 77.9 | Confident | 76.6 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -70.9 | -37 | 175.1 | -71.8 | 160.4 | 0 | 0 | 0 | 112.5 | V775 K776 G777 T781 I782 L822 K826 | V775-L779 HydrophobicContact CG1-CD1 3.94Å; V775-L779 WeakPolarHBondContact O-CB 3.29Å; V775-L779 WeakPolarHBondContact O-CD1 3.06Å; V775-L779 VanDerWaalsContact O-CG 3.23Å; V775-L779 WeakPolarHBondContact O-CG 3.39Å; V775-L779 PolarHBondContact O-N 3.15Å; K776-L779 PolarHBondContact O-N 2.88Å; G777-L779 VanDerWaalsContact C-N 3.28Å; G777-L779 PolarHBondContact O-N 2.64Å; L779-T781 VanDerWaalsContact C-N 3.27Å; L779-T781 PolarHBondContact O-N 3.38Å; L779-I782 HydrophobicContact CD2-CD1 3.97Å; L779-I782 PolarHBondContact O-N 3.11Å; L779-L822 HydrophobicContact CD2-CD2 4.16Å; L779-L822 HydrophobicContact CD2-CG 3.98Å; L779-L822 HydrophobicContact CG-CD2 4.32Å; L779-L822 HydrophobicContact CG-CG 4.27Å; L779-K826 HydrophobicContact CD1-CB 4.14Å; L779-K826 HydrophobicContact CD1-CD 3.51Å; L779-K826 HydrophobicContact CD1-CG 3.72Å; L779-K826 HydrophobicContact CD2-CD 4.22Å |
| 780 | Q | 74.7 | Confident | 77.3 | Confident | 154 Ų | 154 | 64.8 Ų | 64.8 | 72% | 0.72 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.2 | -25.8 | 178.6 | -74 | 173.1 | 15.7 | 0 | 0 | 112.9 | K776 G777 | K776-Q780 WeakPolarHBondContact O-CG 3.21Å; K776-Q780 PolarHBondContact O-N 2.83Å; G777-Q780 PolarHBondContact O-N 3.43Å; G777-Q780 VanDerWaalsContact O-N 3.15Å |
| 781 | T | 77.2 | Confident | 77.9 | Confident | 63 Ų | 63 | 64.6 Ų | 64.6 | 39% | 0.387 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -15.9 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | G777 M778 L779 A784 Q785 | G777-T781 PolarHBondContact O-N 2.87Å; M778-T781 PolarHBondContact O-OG1 3.33Å; L779-T781 VanDerWaalsContact C-N 3.27Å; L779-T781 PolarHBondContact O-N 3.38Å; T781-A784 PolarHBondContact O-N 3.15Å; T781-Q785 WeakPolarHBondContact O-CG 3.39Å; T781-Q785 PolarHBondContact O-N 3.14Å |
| 782 | I | 79.9 | Confident | 78.3 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -53.4 | -50 | -173.6 | -64.1 | 176 | 0 | 0 | 0 | 113 | L779 A784 Q785 E786 W815 T819 L822 | L779-I782 HydrophobicContact CD2-CD1 3.97Å; L779-I782 PolarHBondContact O-N 3.11Å; I782-A784 VanDerWaalsContact C-N 3.3Å; I782-A784 PolarHBondContact O-N 2.9Å; I782-Q785 PolarHBondContact O-N 2.94Å; I782-E786 WeakPolarHBondContact O-CB 3.3Å; I782-E786 PolarHBondContact O-N 2.88Å; I782-W815 HydrophobicContact CB-CH2 4.37Å; I782-W815 HydrophobicContact CG2-CH2 3.84Å; I782-W815 HydrophobicContact CG2-CZ2 3.78Å; I782-T819 HydrophobicContact CG2-CG2 4.27Å; I782-L822 HydrophobicContact CD1-CD2 4.03Å |
| 783 | P | 77.4 | Confident | 78.7 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.5 | -32.4 | -175.3 | -21.9 | 34.9 | 0 | 0 | 0 | 113.4 | Q787 | P783-Q787 WeakPolarHBondContact O-CB 3.45Å; P783-Q787 WeakPolarHBondContact O-CG 3.35Å; P783-Q787 PolarHBondContact O-N 3.2Å; P783-Q787 VanDerWaalsContact O-N 3.09Å |
| 784 | A | 70.8 | Confident | 79 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | T781 I782 F788 | T781-A784 PolarHBondContact O-N 3.15Å; I782-A784 VanDerWaalsContact C-N 3.3Å; I782-A784 PolarHBondContact O-N 2.9Å; A784-F788 WeakPolarHBondContact O-CB 3.45Å; A784-F788 PolarHBondContact O-N 3.17Å; A784-F788 VanDerWaalsContact O-N 3.07Å |
| 785 | Q | 81.1 | Confident | 78.9 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 172.5 | -71.9 | 173.4 | -37.5 | 0 | 0 | 111.1 | T781 I782 F788 I789 W815 | T781-Q785 WeakPolarHBondContact O-CG 3.39Å; T781-Q785 PolarHBondContact O-N 3.14Å; I782-Q785 PolarHBondContact O-N 2.94Å; Q785-F788 PolarHBondContact O-N 2.84Å; Q785-I789 WeakPolarHBondContact O-CB 3.27Å; Q785-I789 WeakPolarHBondContact O-CD1 3.44Å; Q785-I789 WeakPolarHBondContact O-CG1 3.37Å; Q785-I789 PolarHBondContact O-N 2.83Å; Q785-W815 HydrophobicContact CB-CH2 3.59Å; Q785-W815 HydrophobicContact CB-CZ3 3.82Å |
| 786 | E | 83.5 | Confident | 78.6 | Confident | 104 Ų | 104 | 60.6 Ų | 60.6 | 49% | 0.486 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 178.1 | -166.8 | 159.1 | -135.1 | 0 | 0 | 112.4 | I782 F788 I789 Q790 W815 | I782-E786 WeakPolarHBondContact O-CB 3.3Å; I782-E786 PolarHBondContact O-N 2.88Å; E786-F788 VanDerWaalsContact C-N 3.34Å; E786-F788 PolarHBondContact O-N 2.86Å; E786-I789 PolarHBondContact O-N 3.4Å; E786-Q790 WeakPolarHBondContact O-CB 3.2Å; E786-Q790 PolarHBondContact O-N 2.85Å; E786-W815 HydrophobicContact CB-CZ2 3.83Å; E786-W815 HydrophobicContact CG-CZ2 4.34Å |
| 787 | Q | 78.3 | Confident | 78.4 | Confident | 149 Ų | 149 | 61.8 Ų | 61.8 | 70% | 0.696 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.7 | -40.5 | 173.7 | -76.1 | 179.1 | -8 | 0 | 0 | 112.5 | P783 S791 | P783-Q787 WeakPolarHBondContact O-CB 3.45Å; P783-Q787 WeakPolarHBondContact O-CG 3.35Å; P783-Q787 PolarHBondContact O-N 3.2Å; P783-Q787 VanDerWaalsContact O-N 3.09Å; Q787-S791 WeakPolarHBondContact O-CB 3.38Å; Q787-S791 PolarHBondContact O-N 2.66Å |
| 788 | F | 81 | Confident | 78.2 | Confident | 117 Ų | 117 | 67.7 Ų | 67.7 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 176.8 | 177.2 | -102.6 | 0 | 0 | 0 | 112.3 | L714 A784 Q785 E786 Q790 S791 L792 | L714-F788 HydrophobicContact CD1-CD1 4.47Å; L714-F788 HydrophobicContact CD1-CE1 4.26Å; A784-F788 WeakPolarHBondContact O-CB 3.45Å; A784-F788 PolarHBondContact O-N 3.17Å; A784-F788 VanDerWaalsContact O-N 3.07Å; Q785-F788 PolarHBondContact O-N 2.84Å; E786-F788 VanDerWaalsContact C-N 3.34Å; E786-F788 PolarHBondContact O-N 2.86Å; F788-Q790 PolarHBondContact O-N 2.68Å; F788-S791 PolarHBondContact O-N 2.85Å; F788-L792 PolarHBondContact O-N 2.89Å |
| 789 | I | 83.9 | Confident | 77.2 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.051 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 177 | -69.3 | 162 | 0 | 0 | 0 | 110 | L714 L718 Q785 E786 L792 I793 I811 W815 | L714-I789 HydrophobicContact CD1-CG1 4.03Å; L714-I789 HydrophobicContact CD2-CG1 4.09Å; L718-I789 HydrophobicContact CD2-CD1 4.24Å; Q785-I789 WeakPolarHBondContact O-CB 3.27Å; Q785-I789 WeakPolarHBondContact O-CD1 3.44Å; Q785-I789 WeakPolarHBondContact O-CG1 3.37Å; Q785-I789 PolarHBondContact O-N 2.83Å; E786-I789 PolarHBondContact O-N 3.4Å; I789-L792 PolarHBondContact O-N 3.26Å; I789-I793 HydrophobicContact CG2-CD1 3.62Å; I789-I793 WeakPolarHBondContact O-CB 3.19Å; I789-I793 WeakPolarHBondContact O-CD1 3.38Å; I789-I793 VanDerWaalsContact O-CG1 3.27Å; I789-I793 WeakPolarHBondContact O-CG1 3.33Å; I789-I793 PolarHBondContact O-N 2.83Å; I789-I811 HydrophobicContact CG2-CG2 4.18Å; I789-W815 HydrophobicContact CD1-CB 4.42Å; I789-W815 HydrophobicContact CD1-CD2 3.52Å; I789-W815 HydrophobicContact CD1-CE3 3.52Å; I789-W815 HydrophobicContact CD1-CG 3.93Å; I789-W815 HydrophobicContact CD1-CH2 4.44Å; I789-W815 HydrophobicContact CD1-CZ2 4.46Å; I789-W815 HydrophobicContact CD1-CZ3 3.99Å |
| 790 | Q | 83.3 | Confident | 76 | Confident | 94 Ų | 94 | 75.6 Ų | 75.6 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 178.5 | -167.6 | 62.4 | 56.3 | 0 | 0 | 112.5 | E786 F788 I793 N794 | E786-Q790 WeakPolarHBondContact O-CB 3.2Å; E786-Q790 PolarHBondContact O-N 2.85Å; F788-Q790 PolarHBondContact O-N 2.68Å; Q790-I793 PolarHBondContact O-N 2.92Å; Q790-N794 PolarHBondContact NE2-OD1 2.66Å; Q790-N794 WeakPolarHBondContact O-CB 3.48Å; Q790-N794 PolarHBondContact O-N 3.1Å; Q790-N794 PolarHBondContact O-ND2 2.86Å; Q790-N794 PolarHBondContact O-OD1 3.14Å |
| 791 | S | 80.4 | Confident | 75.1 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 173.6 | -168.9 | 0 | 0 | 0 | 0 | 111.5 | Q787 F788 I793 N794 E795 | Q787-S791 WeakPolarHBondContact O-CB 3.38Å; Q787-S791 PolarHBondContact O-N 2.66Å; F788-S791 PolarHBondContact O-N 2.85Å; S791-I793 PolarHBondContact O-N 2.88Å; S791-N794 PolarHBondContact O-N 3.49Å; S791-E795 WeakPolarHBondContact O-CG 3.5Å; S791-E795 PolarHBondContact O-N 3.23Å; S791-E795 PolarHBondContact OG-OE1 3.2Å; S791-E795 VanDerWaalsContact OG-OE1 3.11Å |
| 792 | L | 81.6 | Confident | 74.3 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 179.8 | -177.1 | 67.5 | 0 | 0 | 0 | 111.9 | R710 L711 L714 F788 I789 E795 V796 | R710-L792 HydrophobicContact CB-CD1 3.98Å; R710-L792 HydrophobicContact CB-CD2 4.44Å; L711-L792 HydrophobicContact CD2-CD2 4.02Å; L711-L792 HydrophobicContact CD2-CG 4.33Å; L714-L792 HydrophobicContact CB-CD2 4.25Å; L714-L792 HydrophobicContact CD2-CD2 3.62Å; F788-L792 PolarHBondContact O-N 2.89Å; I789-L792 PolarHBondContact O-N 3.26Å; L792-E795 PolarHBondContact O-N 3.44Å; L792-V796 WeakPolarHBondContact O-CG2 3.15Å; L792-V796 PolarHBondContact O-N 3.22Å; L792-V796 VanDerWaalsContact O-N 3.08Å |
| 793 | I | 81.5 | Confident | 73.3 | Confident | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 175.3 | -70.6 | 161.5 | 0 | 0 | 0 | 110.2 | I789 Q790 S791 E795 V796 E797 I808 K812 | I789-I793 HydrophobicContact CG2-CD1 3.62Å; I789-I793 WeakPolarHBondContact O-CB 3.19Å; I789-I793 WeakPolarHBondContact O-CD1 3.38Å; I789-I793 VanDerWaalsContact O-CG1 3.27Å; I789-I793 WeakPolarHBondContact O-CG1 3.33Å; I789-I793 PolarHBondContact O-N 2.83Å; Q790-I793 PolarHBondContact O-N 2.92Å; S791-I793 PolarHBondContact O-N 2.88Å; I793-E795 PolarHBondContact O-N 3.34Å; I793-V796 PolarHBondContact O-N 2.85Å; I793-E797 HydrophobicContact CG2-CG 4.21Å; I793-E797 WeakPolarHBondContact CG2-OE1 3.08Å; I793-E797 WeakPolarHBondContact O-CB 3.43Å; I793-E797 WeakPolarHBondContact O-CG 3.34Å; I793-E797 PolarHBondContact O-N 3.07Å; I793-I808 HydrophobicContact CG1-CG2 4.5Å; I793-I808 HydrophobicContact CG2-CG2 4.48Å; I793-K812 HydrophobicContact CD1-CG 4.28Å |
| 794 | N | 80.4 | Confident | 73 | Confident | 67 Ų | 67 | 76.3 Ų | 76.3 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 176.3 | -68 | -3.5 | 0 | 0 | 0 | 112.5 | Q790 S791 V796 E797 Q798 | Q790-N794 PolarHBondContact NE2-OD1 2.66Å; Q790-N794 WeakPolarHBondContact O-CB 3.48Å; Q790-N794 PolarHBondContact O-N 3.1Å; Q790-N794 PolarHBondContact O-ND2 2.86Å; Q790-N794 PolarHBondContact O-OD1 3.14Å; S791-N794 PolarHBondContact O-N 3.49Å; N794-V796 VanDerWaalsContact C-N 3.33Å; N794-E797 PolarHBondContact O-N 3.47Å; N794-Q798 WeakPolarHBondContact O-CB 3.38Å; N794-Q798 WeakPolarHBondContact O-CG 3.38Å; N794-Q798 PolarHBondContact O-N 3.02Å |
| 795 | E | 77.3 | Confident | 73 | Confident | 64 Ų | 64 | 76.5 Ų | 76.5 | 30% | 0.299 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 176.8 | -75.5 | 167.9 | -128.2 | 0 | 0 | 112.1 | F707 R710 S791 L792 I793 C799 | F707-E795 HydrophobicContact CE1-CB 4.33Å; R710-E795 IonicContact CZ-OE2 3.85Å; R710-E795 IonicContact NH1-OE2 2.67Å; R710-E795 PolarHBondContact NH1-OE2 2.9Å; R710-E795 IonicContact NH2-OE1 3.68Å; R710-E795 IonicContact NH2-OE2 3.97Å; R710-E795 PolarHBondContact NH2-OE2 2.7Å; S791-E795 WeakPolarHBondContact O-CG 3.5Å; S791-E795 PolarHBondContact O-N 3.23Å; S791-E795 PolarHBondContact OG-OE1 3.2Å; S791-E795 VanDerWaalsContact OG-OE1 3.11Å; L792-E795 PolarHBondContact O-N 3.44Å; I793-E795 PolarHBondContact O-N 3.34Å; E795-C799 PolarHBondContact O-SG 3.34Å; E795-C799 VanDerWaalsContact O-SG 3.35Å |
| 796 | V | 72.7 | Confident | 72.6 | Confident | 4 Ų | 4 | 76.6 Ų | 76.6 | 2% | 0.024 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -73.4 | -47.3 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 111 | F707 L711 L792 I793 N794 Q798 C799 F804 I808 | F707-V796 HydrophobicContact CD1-CG2 3.69Å; F707-V796 HydrophobicContact CE1-CG2 4.29Å; F707-V796 HydrophobicContact CG-CG2 4.38Å; L711-V796 HydrophobicContact CD1-CG2 4.35Å; L711-V796 HydrophobicContact CD2-CG2 4.45Å; L792-V796 WeakPolarHBondContact O-CG2 3.15Å; L792-V796 PolarHBondContact O-N 3.22Å; L792-V796 VanDerWaalsContact O-N 3.08Å; I793-V796 PolarHBondContact O-N 2.85Å; N794-V796 VanDerWaalsContact C-N 3.33Å; V796-Q798 PolarHBondContact O-N 3.43Å; V796-C799 PolarHBondContact O-N 2.86Å; V796-F804 HydrophobicContact CG1-CD2 3.88Å; V796-I808 HydrophobicContact CG1-CD1 3.99Å |
| 797 | E | 70.3 | Confident | 72.3 | Confident | 111 Ų | 111 | 72.8 Ų | 72.8 | 52% | 0.519 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -22.6 | 180 | -71.3 | 175.3 | -174.5 | 0 | 0 | 112.8 | I793 N794 K812 | I793-E797 HydrophobicContact CG2-CG 4.21Å; I793-E797 WeakPolarHBondContact CG2-OE1 3.08Å; I793-E797 WeakPolarHBondContact O-CB 3.43Å; I793-E797 WeakPolarHBondContact O-CG 3.34Å; I793-E797 PolarHBondContact O-N 3.07Å; N794-E797 PolarHBondContact O-N 3.47Å; E797-K812 IonicContact OE1-NZ 3.56Å |
| 798 | Q | 67.7 | Low | 72.4 | Confident | 155 Ų | 155 | 66.4 Ų | 66.4 | 72% | 0.724 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -17.2 | 170.7 | -78.6 | 174 | 25.3 | 0 | 0 | 114.2 | N794 V796 E800 | N794-Q798 WeakPolarHBondContact O-CB 3.38Å; N794-Q798 WeakPolarHBondContact O-CG 3.38Å; N794-Q798 PolarHBondContact O-N 3.02Å; V796-Q798 PolarHBondContact O-N 3.43Å; Q798-E800 PolarHBondContact O-N 2.94Å |
| 799 | C | 59.5 | Low | 72.4 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | trans | -92.8 | 81 | 179.4 | -67.7 | 0 | 0 | 0 | 0 | 110.6 | E795 V796 K801 F802 | E795-C799 PolarHBondContact O-SG 3.34Å; E795-C799 VanDerWaalsContact O-SG 3.35Å; V796-C799 PolarHBondContact O-N 2.86Å; C799-K801 PolarHBondContact O-N 3.29Å; C799-F802 HydrophobicContact CB-CD2 4Å; C799-F802 PolarHBondContact O-N 2.76Å | ||
| 800 | E | 52.5 | Low | 72.2 | Confident | 183 Ų | 183 | 70.7 Ų | 70.7 | 86% | 0.855 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -23.7 | -177.7 | -65.2 | -173.2 | 146 | 0 | 0 | 115 | Q798 | Q798-E800 PolarHBondContact O-N 2.94Š|
| 801 | K | 57 | Low | 72.3 | Confident | 158 Ų | 158 | 66.2 Ų | 66.2 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -16.3 | 176.8 | -66.8 | -176.9 | 172.4 | -175.6 | 0 | 115.5 | N700 C799 | N700-K801 PolarHBondContact OD1-NZ 3.18Å; C799-K801 PolarHBondContact O-N 3.29Å |
| 802 | F | 59.9 | Low | 72.5 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | trans | -132.8 | 107.5 | -170.4 | -52.5 | -50 | 0 | 0 | 0 | 111.1 | N700 R704 F707 C799 F804 | N700-F802 WeakPolarHBondContact O-CZ 3.46Å; R704-F802 HydrophobicContact CB-CD1 3.77Å; R704-F802 HydrophobicContact CB-CE1 3.7Å; R704-F802 HydrophobicContact CB-CG 4.48Å; R704-F802 HydrophobicContact CB-CZ 4.35Å; R704-F802 HydrophobicContact CG-CD1 3.78Å; R704-F802 HydrophobicContact CG-CE1 4.21Å; R704-F802 HydrophobicContact CG-CG 4.44Å; F707-F802 HydrophobicContact CD2-CD2 4.08Å; F707-F802 HydrophobicContact CE2-CD2 4.3Å; C799-F802 HydrophobicContact CB-CD2 4Å; C799-F802 PolarHBondContact O-N 2.76Å; F802-F804 HydrophobicContact CB-CE2 3.95Å; F802-F804 HydrophobicContact CB-CZ 4.36Å | ||
| 803 | Q | 60 | Low | 72.6 | Confident | 151 Ų | 151 | 71.9 Ų | 71.9 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | trans | -112.9 | 124.8 | 178.8 | -61.7 | -173.1 | 6.8 | 0 | 0 | 110.5 | P805 | Q803-P805 WeakPolarHBondContact O-CD 3.46Š| ||
| 804 | F | 69.8 | Low | 72.7 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 0% | 0.004 | 37% | 0.368 | C | S | . | . | trans | -124.6 | 56.4 | 177.7 | -55.6 | -72.7 | 0 | 0 | 0 | 111.8 | R704 F707 L708 L711 V796 F802 T806 H807 I808 | R704-F804 HydrophobicContact CG-CE1 4.02Å; R704-F804 HydrophobicContact CG-CZ 3.58Å; R704-F804 WeakPolarHBondContact O-CZ 3.4Å; F707-F804 HydrophobicContact CB-CE2 3.69Å; F707-F804 HydrophobicContact CB-CZ 4.34Å; L708-F804 HydrophobicContact CB-CE1 3.96Å; L708-F804 HydrophobicContact CB-CZ 4.07Å; L708-F804 HydrophobicContact CD1-CD1 3.77Å; L708-F804 HydrophobicContact CD1-CE1 3.94Å; L708-F804 HydrophobicContact CD1-CG 4.39Å; L708-F804 HydrophobicContact CD2-CE1 4.37Å; L708-F804 HydrophobicContact CG-CE1 4.32Å; L711-F804 HydrophobicContact CD1-CB 3.6Å; L711-F804 HydrophobicContact CD1-CD2 3.73Å; L711-F804 HydrophobicContact CD1-CG 3.84Å; V796-F804 HydrophobicContact CG1-CD2 3.88Å; F802-F804 HydrophobicContact CB-CE2 3.95Å; F802-F804 HydrophobicContact CB-CZ 4.36Å; F804-T806 VanDerWaalsContact C-N 3.26Å; F804-T806 PolarHBondContact O-N 3.18Å; F804-H807 HydrophobicContact CB-CB 4.42Å; F804-H807 PolarHBondContact O-N 3.06Å; F804-I808 WeakPolarHBondContact O-CG1 3.35Å; F804-I808 PolarHBondContact O-N 3.49Å; F804-I808 VanDerWaalsContact O-N 3.11Å | ||
| 805 | P | 71.7 | Confident | 73.1 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63 | -32.8 | -169.5 | 27 | -35.4 | 0 | 0 | 0 | 112.8 | Q803 M809 | Q803-P805 WeakPolarHBondContact O-CD 3.46Å; P805-M809 WeakPolarHBondContact O-CB 3.49Å; P805-M809 WeakPolarHBondContact O-CE 3.45Å; P805-M809 WeakPolarHBondContact O-CG 3.35Å; P805-M809 PolarHBondContact O-N 3.48Å |
| 806 | T | 73.1 | Confident | 73.5 | Confident | 52 Ų | 52 | 74.5 Ų | 74.5 | 32% | 0.319 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.1 | -54.7 | 175.9 | 46.2 | 0 | 0 | 0 | 0 | 111.8 | D631 F804 M809 Q810 | D631-T806 PolarHBondContact OD2-OG1 2.91Å; F804-T806 VanDerWaalsContact C-N 3.26Å; F804-T806 PolarHBondContact O-N 3.18Å; T806-M809 PolarHBondContact O-N 2.53Å; T806-Q810 WeakPolarHBondContact O-CG 3.34Å; T806-Q810 PolarHBondContact O-N 3.33Å; T806-Q810 VanDerWaalsContact O-N 3.12Å |
| 807 | H | 75.4 | Confident | 74 | Confident | 24 Ų | 24 | 80.1 Ų | 80.1 | 11% | 0.111 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.8 | -43.6 | -179.5 | -70.7 | 74.2 | 0 | 0 | 0 | 111.7 | D631 L711 F804 M809 Q810 I811 | D631-H807 PolarHBondContact O-CE1 2.86Å; L711-H807 HydrophobicContact CB-CB 4.17Å; L711-H807 HydrophobicContact CD1-CB 4.14Å; F804-H807 HydrophobicContact CB-CB 4.42Å; F804-H807 PolarHBondContact O-N 3.06Å; H807-M809 VanDerWaalsContact C-N 3.3Å; H807-M809 PolarHBondContact O-N 3.4Å; H807-Q810 PolarHBondContact O-N 3.38Å; H807-Q810 VanDerWaalsContact O-N 3.16Å; H807-I811 WeakPolarHBondContact O-CB 3.44Å; H807-I811 WeakPolarHBondContact O-CD1 3.44Å; H807-I811 WeakPolarHBondContact O-CG1 3.31Å; H807-I811 PolarHBondContact O-N 3.46Å |
| 808 | I | 81.6 | Confident | 74.7 | Confident | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.077 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60 | -39.6 | 177.4 | -67.1 | 170.3 | 0 | 0 | 0 | 111.2 | I793 V796 F804 K812 | I793-I808 HydrophobicContact CG1-CG2 4.5Å; I793-I808 HydrophobicContact CG2-CG2 4.48Å; V796-I808 HydrophobicContact CG1-CD1 3.99Å; F804-I808 WeakPolarHBondContact O-CG1 3.35Å; F804-I808 PolarHBondContact O-N 3.49Å; F804-I808 VanDerWaalsContact O-N 3.11Å; I808-K812 HydrophobicContact CG2-CD 3.89Å; I808-K812 VanDerWaalsContact CG2-CE 3.45Å; I808-K812 VanDerWaalsContact CG2-NZ 3.34Å; I808-K812 WeakPolarHBondContact O-CB 3.13Å; I808-K812 VanDerWaalsContact O-CG 3.26Å; I808-K812 WeakPolarHBondContact O-CG 3.34Å; I808-K812 PolarHBondContact O-N 2.76Å |
| 809 | M | 80.8 | Confident | 75.5 | Confident | 125 Ų | 125 | 69 Ų | 69 | 62% | 0.616 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.3 | -41.2 | 174.5 | -76 | -171.4 | -70.5 | 0 | 0 | 112.9 | P805 T806 H807 K812 S813 | P805-M809 WeakPolarHBondContact O-CB 3.49Å; P805-M809 WeakPolarHBondContact O-CE 3.45Å; P805-M809 WeakPolarHBondContact O-CG 3.35Å; P805-M809 PolarHBondContact O-N 3.48Å; T806-M809 PolarHBondContact O-N 2.53Å; H807-M809 VanDerWaalsContact C-N 3.3Å; H807-M809 PolarHBondContact O-N 3.4Å; M809-K812 PolarHBondContact O-N 3.42Å; M809-S813 WeakPolarHBondContact O-CB 3.46Å; M809-S813 PolarHBondContact O-N 3.41Å |
| 810 | Q | 79.5 | Confident | 76.6 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 177.8 | -69.9 | 179.8 | 40.9 | 0 | 0 | 111.5 | T806 H807 S813 I814 | T806-Q810 WeakPolarHBondContact O-CG 3.34Å; T806-Q810 PolarHBondContact O-N 3.33Å; T806-Q810 VanDerWaalsContact O-N 3.12Å; H807-Q810 PolarHBondContact O-N 3.38Å; H807-Q810 VanDerWaalsContact O-N 3.16Å; Q810-S813 WeakPolarHBondContact O-CB 3.42Å; Q810-S813 PolarHBondContact O-N 3.04Å; Q810-I814 WeakPolarHBondContact O-CG1 3.14Å; Q810-I814 PolarHBondContact O-N 3.38Å |
| 811 | I | 84.9 | Confident | 78 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.5 | -50.2 | 175.4 | -70.8 | 160.9 | 0 | 0 | 0 | 111.2 | L711 L714 Q715 L718 I789 H807 S813 I814 W815 | L711-I811 HydrophobicContact CB-CD1 4.02Å; L711-I811 HydrophobicContact CD2-CD1 3.59Å; L711-I811 HydrophobicContact CG-CD1 4.41Å; L714-I811 HydrophobicContact CD2-CD1 4.2Å; L714-I811 HydrophobicContact CD2-CG2 3.75Å; L714-I811 HydrophobicContact CG-CD1 4.48Å; L714-I811 HydrophobicContact CG-CG2 4.21Å; Q715-I811 HydrophobicContact CB-CG1 4.11Å; L718-I811 HydrophobicContact CD1-CG2 3.89Å; I789-I811 HydrophobicContact CG2-CG2 4.18Å; H807-I811 WeakPolarHBondContact O-CB 3.44Å; H807-I811 WeakPolarHBondContact O-CD1 3.44Å; H807-I811 WeakPolarHBondContact O-CG1 3.31Å; H807-I811 PolarHBondContact O-N 3.46Å; I811-S813 VanDerWaalsContact C-N 3.26Å; I811-S813 PolarHBondContact O-N 3.48Å; I811-I814 PolarHBondContact O-N 3.38Å; I811-W815 WeakPolarHBondContact O-CB 3.47Å; I811-W815 PolarHBondContact O-N 3.17Å |
| 812 | K | 85 | Confident | 79.4 | Confident | 95 Ų | 95 | 56.3 Ų | 56.3 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.7 | -35.5 | 177.1 | -72.9 | 171.9 | -177 | 171.4 | 0 | 111.8 | I793 E797 I808 M809 K816 | I793-K812 HydrophobicContact CD1-CG 4.28Å; E797-K812 IonicContact OE1-NZ 3.56Å; I808-K812 HydrophobicContact CG2-CD 3.89Å; I808-K812 VanDerWaalsContact CG2-CE 3.45Å; I808-K812 VanDerWaalsContact CG2-NZ 3.34Å; I808-K812 WeakPolarHBondContact O-CB 3.13Å; I808-K812 VanDerWaalsContact O-CG 3.26Å; I808-K812 WeakPolarHBondContact O-CG 3.34Å; I808-K812 PolarHBondContact O-N 2.76Å; M809-K812 PolarHBondContact O-N 3.42Å; K812-K816 PolarHBondContact O-N 3.32Å |
| 813 | S | 84.7 | Confident | 80.5 | Confident | 80 Ų | 80 | 59 Ų | 59 | 56% | 0.559 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.8 | -48 | 176.8 | -170.3 | 0 | 0 | 0 | 0 | 113.3 | M809 Q810 I811 K816 K817 | M809-S813 WeakPolarHBondContact O-CB 3.46Å; M809-S813 PolarHBondContact O-N 3.41Å; Q810-S813 WeakPolarHBondContact O-CB 3.42Å; Q810-S813 PolarHBondContact O-N 3.04Å; I811-S813 VanDerWaalsContact C-N 3.26Å; I811-S813 PolarHBondContact O-N 3.48Å; S813-K816 PolarHBondContact O-N 2.93Å; S813-K817 PolarHBondContact O-N 3.45Å; S813-K817 VanDerWaalsContact O-N 3.09Å |
| 814 | I | 84 | Confident | 81.6 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.8 | -40.5 | -179.2 | -59 | 161.2 | 0 | 0 | 0 | 110.6 | Q715 L718 V722 Q810 I811 K816 K817 Y818 | Q715-I814 HydrophobicContact CG-CD1 3.95Å; L718-I814 HydrophobicContact CB-CB 4.43Å; L718-I814 HydrophobicContact CB-CG2 3.77Å; V722-I814 HydrophobicContact CG2-CG2 4.09Å; Q810-I814 WeakPolarHBondContact O-CG1 3.14Å; Q810-I814 PolarHBondContact O-N 3.38Å; I811-I814 PolarHBondContact O-N 3.38Å; I814-K816 PolarHBondContact O-N 2.96Å; I814-K817 PolarHBondContact O-N 2.97Å; I814-Y818 WeakPolarHBondContact O-CB 2.94Å; I814-Y818 PolarHBondContact O-N 3.17Å |
| 815 | W | 88.5 | Confident | 82.3 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 175.9 | 178.1 | -118.6 | 0 | 0 | 0 | 112.6 | L718 I782 Q785 E786 I789 I811 Y818 T819 | L718-W815 HydrophobicContact CD2-CE3 3.67Å; L718-W815 HydrophobicContact CD2-CZ3 4.34Å; I782-W815 HydrophobicContact CB-CH2 4.37Å; I782-W815 HydrophobicContact CG2-CH2 3.84Å; I782-W815 HydrophobicContact CG2-CZ2 3.78Å; Q785-W815 HydrophobicContact CB-CH2 3.59Å; Q785-W815 HydrophobicContact CB-CZ3 3.82Å; E786-W815 HydrophobicContact CB-CZ2 3.83Å; E786-W815 HydrophobicContact CG-CZ2 4.34Å; I789-W815 HydrophobicContact CD1-CB 4.42Å; I789-W815 HydrophobicContact CD1-CD2 3.52Å; I789-W815 HydrophobicContact CD1-CE3 3.52Å; I789-W815 HydrophobicContact CD1-CG 3.93Å; I789-W815 HydrophobicContact CD1-CH2 4.44Å; I789-W815 HydrophobicContact CD1-CZ2 4.46Å; I789-W815 HydrophobicContact CD1-CZ3 3.99Å; I811-W815 WeakPolarHBondContact O-CB 3.47Å; I811-W815 PolarHBondContact O-N 3.17Å; W815-Y818 AromaticContact CE3-CD1 3.92Å; W815-Y818 HydrophobicContact CE3-CD1 3.92Å; W815-Y818 AromaticContact CZ3-CD1 3.69Å; W815-Y818 HydrophobicContact CZ3-CD1 3.69Å; W815-Y818 AromaticContact CZ3-CE1 3.88Å; W815-Y818 HydrophobicContact CZ3-CE1 3.88Å; W815-Y818 PolarHBondContact O-N 3.41Å; W815-T819 HydrophobicContact CD2-CG2 4.06Å; W815-T819 HydrophobicContact CE3-CG2 4.23Å; W815-T819 HydrophobicContact CH2-CG2 3.9Å; W815-T819 HydrophobicContact CZ2-CG2 3.68Å; W815-T819 HydrophobicContact CZ3-CG2 4.17Å; W815-T819 PolarHBondContact O-N 3.4Å; W815-T819 PolarHBondContact O-OG1 3.47Å |
| 816 | K | 85.3 | Confident | 82.8 | Confident | 122 Ų | 122 | 54 Ų | 54 | 53% | 0.53 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.8 | -50 | 174.8 | -178.9 | 178.4 | 173.4 | -178.1 | 0 | 111.4 | K812 S813 I814 Y818 T819 E820 | K812-K816 PolarHBondContact O-N 3.32Å; S813-K816 PolarHBondContact O-N 2.93Å; I814-K816 PolarHBondContact O-N 2.96Å; K816-Y818 VanDerWaalsContact C-N 3.31Å; K816-Y818 PolarHBondContact O-N 3.02Å; K816-T819 PolarHBondContact O-N 2.95Å; K816-T819 PolarHBondContact O-OG1 3.04Å; K816-T819 VanDerWaalsContact O-OG1 3.05Å; K816-E820 VanDerWaalsContact CE-CD 3.48Å; K816-E820 WeakPolarHBondContact CE-OE1 3.29Å; K816-E820 HydrophobicContact CG-CG 4.37Å; K816-E820 IonicContact NZ-OE1 3.95Å; K816-E820 WeakPolarHBondContact O-CB 3.45Å; K816-E820 WeakPolarHBondContact O-CG 3.36Å; K816-E820 PolarHBondContact O-N 3.21Å |
| 817 | K | 82.2 | Confident | 83.2 | Confident | 123 Ų | 123 | 53.4 Ų | 53.4 | 54% | 0.535 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.7 | -37.2 | -179.9 | -172.2 | 175.4 | -178.3 | 178.5 | 0 | 112.9 | S813 I814 N821 | S813-K817 PolarHBondContact O-N 3.45Å; S813-K817 VanDerWaalsContact O-N 3.09Å; I814-K817 PolarHBondContact O-N 2.97Å; K817-N821 VanDerWaalsContact O-CB 3.32Å; K817-N821 WeakPolarHBondContact O-CB 3.46Å; K817-N821 PolarHBondContact O-N 3.49Å; K817-N821 PolarHBondContact O-ND2 3.46Å |
| 818 | Y | 85.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.8 | -50.6 | 175.4 | 170.3 | -113.7 | 0 | 0 | 0 | 112 | C721 V722 M778 I814 W815 K816 N821 L822 | C721-Y818 HydrophobicContact CB-CD2 3.83Å; C721-Y818 HydrophobicContact CB-CE1 4.44Å; C721-Y818 HydrophobicContact CB-CE2 3.61Å; C721-Y818 HydrophobicContact CB-CG 4.34Å; V722-Y818 HydrophobicContact CG2-CD2 4.39Å; M778-Y818 HydrophobicContact CE-CE2 3.7Å; M778-Y818 WeakPolarHBondContact CE-OH 3.43Å; I814-Y818 WeakPolarHBondContact O-CB 2.94Å; I814-Y818 PolarHBondContact O-N 3.17Å; W815-Y818 AromaticContact CE3-CD1 3.92Å; W815-Y818 HydrophobicContact CE3-CD1 3.92Å; W815-Y818 AromaticContact CZ3-CD1 3.69Å; W815-Y818 HydrophobicContact CZ3-CD1 3.69Å; W815-Y818 AromaticContact CZ3-CE1 3.88Å; W815-Y818 HydrophobicContact CZ3-CE1 3.88Å; W815-Y818 PolarHBondContact O-N 3.41Å; K816-Y818 VanDerWaalsContact C-N 3.31Å; K816-Y818 PolarHBondContact O-N 3.02Å; Y818-N821 PolarHBondContact O-N 2.83Å; Y818-L822 HydrophobicContact CE1-CD2 4.29Å; Y818-L822 HydrophobicContact CE2-CD2 4.2Å; Y818-L822 VanDerWaalsContact O-CB 3.31Å; Y818-L822 WeakPolarHBondContact O-CB 3.39Å; Y818-L822 PolarHBondContact O-N 2.9Å |
| 819 | T | 84 | Confident | 83.6 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 17% | 0.172 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.5 | -36.3 | -176.9 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | I782 W815 K816 N823 | I782-T819 HydrophobicContact CG2-CG2 4.27Å; W815-T819 HydrophobicContact CD2-CG2 4.06Å; W815-T819 HydrophobicContact CE3-CG2 4.23Å; W815-T819 HydrophobicContact CH2-CG2 3.9Å; W815-T819 HydrophobicContact CZ2-CG2 3.68Å; W815-T819 HydrophobicContact CZ3-CG2 4.17Å; W815-T819 PolarHBondContact O-N 3.4Å; W815-T819 PolarHBondContact O-OG1 3.47Å; K816-T819 PolarHBondContact O-N 2.95Å; K816-T819 PolarHBondContact O-OG1 3.04Å; K816-T819 VanDerWaalsContact O-OG1 3.05Å; T819-N823 PolarHBondContact O-N 2.74Å; T819-N823 PolarHBondContact O-ND2 3.34Å |
| 820 | E | 83.6 | Confident | 83.4 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 46% | 0.458 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -53.5 | 172.5 | -72.5 | 175.2 | 158.4 | 0 | 0 | 111.3 | K816 L822 N823 I824 | K816-E820 VanDerWaalsContact CE-CD 3.48Å; K816-E820 WeakPolarHBondContact CE-OE1 3.29Å; K816-E820 HydrophobicContact CG-CG 4.37Å; K816-E820 IonicContact NZ-OE1 3.95Å; K816-E820 WeakPolarHBondContact O-CB 3.45Å; K816-E820 WeakPolarHBondContact O-CG 3.36Å; K816-E820 PolarHBondContact O-N 3.21Å; E820-L822 PolarHBondContact O-N 2.85Å; E820-N823 PolarHBondContact O-N 2.83Å; E820-I824 WeakPolarHBondContact O-CG1 3.34Å; E820-I824 PolarHBondContact O-N 3.44Å |
| 821 | N | 83 | Confident | 83.5 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -38.8 | -177.5 | -70.4 | -4.1 | 0 | 0 | 0 | 112.9 | L725 K817 Y818 N823 I824 F825 I894 | L725-N821 HydrophobicContact CD2-CB 3.51Å; K817-N821 VanDerWaalsContact O-CB 3.32Å; K817-N821 WeakPolarHBondContact O-CB 3.46Å; K817-N821 PolarHBondContact O-N 3.49Å; K817-N821 PolarHBondContact O-ND2 3.46Å; Y818-N821 PolarHBondContact O-N 2.83Å; N821-N823 VanDerWaalsContact C-N 3.34Å; N821-N823 PolarHBondContact O-N 2.84Å; N821-I824 PolarHBondContact O-N 2.96Å; N821-F825 PolarHBondContact O-N 2.84Å; N821-I894 HydrophobicContact CB-CD1 4.17Å; N821-I894 VanDerWaalsContact CG-CD1 3.5Å; N821-I894 VanDerWaalsContact OD1-CD1 3.26Å; N821-I894 WeakPolarHBondContact OD1-CD1 3.36Å |
| 822 | L | 84.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -35.2 | -179.4 | 179.5 | 57.8 | 0 | 0 | 0 | 111.9 | L725 V775 M778 L779 I782 Y818 E820 F825 K826 | L725-L822 HydrophobicContact CD1-CD1 3.99Å; L725-L822 HydrophobicContact CD2-CB 4.09Å; V775-L822 HydrophobicContact CG1-CD1 4.1Å; M778-L822 HydrophobicContact CB-CD1 4.19Å; M778-L822 HydrophobicContact CB-CD2 3.91Å; M778-L822 HydrophobicContact CE-CD1 4.32Å; L779-L822 HydrophobicContact CD2-CD2 4.16Å; L779-L822 HydrophobicContact CD2-CG 3.98Å; L779-L822 HydrophobicContact CG-CD2 4.32Å; L779-L822 HydrophobicContact CG-CG 4.27Å; I782-L822 HydrophobicContact CD1-CD2 4.03Å; Y818-L822 HydrophobicContact CE1-CD2 4.29Å; Y818-L822 HydrophobicContact CE2-CD2 4.2Å; Y818-L822 VanDerWaalsContact O-CB 3.31Å; Y818-L822 WeakPolarHBondContact O-CB 3.39Å; Y818-L822 PolarHBondContact O-N 2.9Å; E820-L822 PolarHBondContact O-N 2.85Å; L822-F825 PolarHBondContact O-N 3.46Å; L822-K826 WeakPolarHBondContact O-CB 3.43Å; L822-K826 PolarHBondContact O-N 2.87Å |
| 823 | N | 83.2 | Confident | 82.9 | Confident | 80 Ų | 80 | 43.3 Ų | 43.3 | 43% | 0.428 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -70.3 | -37.6 | 175 | -80.4 | -63.5 | 0 | 0 | 0 | 112.6 | T819 E820 N821 S827 | T819-N823 PolarHBondContact O-N 2.74Å; T819-N823 PolarHBondContact O-ND2 3.34Å; E820-N823 PolarHBondContact O-N 2.83Å; N821-N823 VanDerWaalsContact C-N 3.34Å; N821-N823 PolarHBondContact O-N 2.84Å; N823-S827 PolarHBondContact O-N 2.91Å |
| 824 | I | 82.9 | Confident | 82.5 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.3 | -47.8 | 172.5 | -62.1 | 165.2 | 0 | 0 | 0 | 109.9 | E820 N821 K826 S827 F828 N887 N890 L891 | E820-I824 WeakPolarHBondContact O-CG1 3.34Å; E820-I824 PolarHBondContact O-N 3.44Å; N821-I824 PolarHBondContact O-N 2.96Å; I824-K826 PolarHBondContact O-N 2.91Å; I824-S827 WeakPolarHBondContact O-CB 3.16Å; I824-S827 PolarHBondContact O-N 3.43Å; I824-S827 VanDerWaalsContact O-N 3.15Å; I824-F828 PolarHBondContact O-N 3.06Å; I824-N887 PolarHBondContact O-OD1 3.06Å; I824-N890 HydrophobicContact CD1-CB 4.43Å; I824-N890 HydrophobicContact CG2-CB 3.96Å; I824-L891 HydrophobicContact CG2-CD2 3.92Å; I824-L891 HydrophobicContact CG2-CG 3.94Å |
| 825 | F | 84.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | -179 | -174.6 | -128.3 | 0 | 0 | 0 | 113.4 | L725 L728 I729 T732 I771 V775 N821 L822 S827 F828 I829 L891 | L725-F825 HydrophobicContact CD1-CB 3.96Å; L725-F825 HydrophobicContact CD1-CD1 3.44Å; L725-F825 VanDerWaalsContact CD1-CD1 3.44Å; L725-F825 HydrophobicContact CD1-CE1 4.2Å; L725-F825 HydrophobicContact CD1-CG 3.95Å; L728-F825 VanDerWaalsContact C-CZ 3.48Å; L728-F825 HydrophobicContact CB-CE1 3.56Å; L728-F825 HydrophobicContact CB-CZ 3.85Å; I729-F825 HydrophobicContact CB-CD2 4.47Å; I729-F825 HydrophobicContact CB-CE2 4.18Å; I729-F825 HydrophobicContact CD1-CD2 4.47Å; I729-F825 HydrophobicContact CG1-CB 4.49Å; I729-F825 HydrophobicContact CG1-CD1 4.31Å; I729-F825 HydrophobicContact CG1-CD2 3.47Å; I729-F825 VanDerWaalsContact CG1-CD2 3.47Å; I729-F825 HydrophobicContact CG1-CE1 4.4Å; I729-F825 HydrophobicContact CG1-CE2 3.61Å; I729-F825 HydrophobicContact CG1-CG 3.85Å; I729-F825 HydrophobicContact CG1-CZ 4.07Å; T732-F825 WeakPolarHBondContact OG1-CZ 3.18Å; I771-F825 HydrophobicContact CG2-CE1 4.33Å; I771-F825 HydrophobicContact CG2-CZ 4.06Å; V775-F825 HydrophobicContact CG2-CD1 3.63Å; V775-F825 HydrophobicContact CG2-CE1 3.44Å; V775-F825 VanDerWaalsContact CG2-CE1 3.44Å; N821-F825 PolarHBondContact O-N 2.84Å; L822-F825 PolarHBondContact O-N 3.46Å; F825-S827 PolarHBondContact O-N 2.79Å; F825-F828 AromaticContact CD2-CD1 4Å; F825-F828 HydrophobicContact CD2-CD1 4Å; F825-F828 HydrophobicContact CE2-CD1 4.07Å; F825-F828 WeakPolarHBondContact O-CB 3.23Å; F825-F828 PolarHBondContact O-N 2.69Å; F825-I829 HydrophobicContact CD1-CD1 4.16Å; F825-I829 HydrophobicContact CD2-CG1 4.45Å; F825-I829 HydrophobicContact CE1-CD1 3.69Å; F825-I829 HydrophobicContact CE2-CD1 4.08Å; F825-I829 HydrophobicContact CE2-CG1 4.07Å; F825-I829 HydrophobicContact CZ-CD1 3.65Å; F825-I829 HydrophobicContact CZ-CG1 4.14Å; F825-I829 PolarHBondContact O-N 2.84Å; F825-L891 HydrophobicContact CB-CD2 4.16Å; F825-L891 HydrophobicContact CD2-CD1 3.97Å; F825-L891 HydrophobicContact CD2-CD2 4.4Å |
| 826 | K | 82.5 | Confident | 81.6 | Confident | 73 Ų | 73 | 41.9 Ų | 41.9 | 32% | 0.317 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.3 | -48.1 | 169.6 | 178.9 | -161.2 | -170.9 | 176.1 | 0 | 111.9 | V775 L779 L822 I824 F828 I829 Q830 | V775-K826 HydrophobicContact CG1-CB 4.12Å; L779-K826 HydrophobicContact CD1-CB 4.14Å; L779-K826 HydrophobicContact CD1-CD 3.51Å; L779-K826 HydrophobicContact CD1-CG 3.72Å; L779-K826 HydrophobicContact CD2-CD 4.22Å; L822-K826 WeakPolarHBondContact O-CB 3.43Å; L822-K826 PolarHBondContact O-N 2.87Å; I824-K826 PolarHBondContact O-N 2.91Å; K826-F828 VanDerWaalsContact C-N 3.33Å; K826-F828 PolarHBondContact O-N 3.12Å; K826-I829 PolarHBondContact O-N 2.87Å; K826-Q830 WeakPolarHBondContact O-CG 3.27Å; K826-Q830 PolarHBondContact O-N 2.78Å; K826-Q830 VanDerWaalsContact O-N 3.07Å |
| 827 | S | 81.9 | Confident | 80.9 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.6 | -38.1 | 179.6 | -167 | 0 | 0 | 0 | 0 | 111.6 | N823 I824 F825 N831 N887 | N823-S827 PolarHBondContact O-N 2.91Å; I824-S827 WeakPolarHBondContact O-CB 3.16Å; I824-S827 PolarHBondContact O-N 3.43Å; I824-S827 VanDerWaalsContact O-N 3.15Å; F825-S827 PolarHBondContact O-N 2.79Å; S827-N831 PolarHBondContact O-N 2.83Å; S827-N831 VanDerWaalsContact O-N 3.17Å; S827-N831 PolarHBondContact O-ND2 2.86Å; S827-N887 WeakPolarHBondContact CB-ND2 3.35Å; S827-N887 WeakPolarHBondContact CB-OD1 3.3Å; S827-N887 PolarHBondContact OG-ND2 3.46Å |
| 828 | F | 83.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -53.8 | 173 | -179.5 | -119.4 | 0 | 0 | 0 | 113.1 | T732 I824 F825 K826 Q830 N831 L832 L884 N887 A888 L891 V901 | T732-F828 HydrophobicContact CG2-CD1 4.41Å; T732-F828 HydrophobicContact CG2-CE1 3.76Å; I824-F828 PolarHBondContact O-N 3.06Å; F825-F828 AromaticContact CD2-CD1 4Å; F825-F828 HydrophobicContact CD2-CD1 4Å; F825-F828 HydrophobicContact CE2-CD1 4.07Å; F825-F828 WeakPolarHBondContact O-CB 3.23Å; F825-F828 PolarHBondContact O-N 2.69Å; K826-F828 VanDerWaalsContact C-N 3.33Å; K826-F828 PolarHBondContact O-N 3.12Å; F828-Q830 VanDerWaalsContact C-N 3.34Å; F828-Q830 PolarHBondContact O-N 3.08Å; F828-N831 PolarHBondContact O-N 3.47Å; F828-L832 HydrophobicContact CD1-CD1 3.96Å; F828-L832 HydrophobicContact CD2-CD1 4.46Å; F828-L832 HydrophobicContact CE1-CD1 3.49Å; F828-L832 VanDerWaalsContact CE1-CD1 3.49Å; F828-L832 HydrophobicContact CE2-CD1 4.02Å; F828-L832 HydrophobicContact CE2-CG 4.23Å; F828-L832 HydrophobicContact CG-CD1 4.44Å; F828-L832 HydrophobicContact CZ-CD1 3.52Å; F828-L832 HydrophobicContact CZ-CG 4.21Å; F828-L832 PolarHBondContact O-N 3.06Å; F828-L884 HydrophobicContact CD2-CD1 4.49Å; F828-L884 HydrophobicContact CE2-CD1 4.48Å; F828-N887 HydrophobicContact CB-CB 3.95Å; F828-N887 HydrophobicContact CD2-CB 4.08Å; F828-A888 HydrophobicContact CD2-CB 4.48Å; F828-A888 HydrophobicContact CE2-CB 3.98Å; F828-L891 HydrophobicContact CB-CD1 3.57Å; F828-L891 HydrophobicContact CD1-CD1 3.31Å; F828-L891 HydrophobicContact CD2-CD1 3.97Å; F828-L891 HydrophobicContact CE1-CD1 3.86Å; F828-L891 HydrophobicContact CE2-CD1 4.46Å; F828-L891 HydrophobicContact CG-CD1 3.35Å; F828-L891 HydrophobicContact CZ-CD1 4.4Å; F828-V901 HydrophobicContact CE2-CG1 4.47Å; F828-V901 HydrophobicContact CE2-CG2 3.84Å; F828-V901 HydrophobicContact CZ-CG2 3.62Å |
| 829 | I | 81.4 | Confident | 80 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 178.7 | -69.1 | 172.8 | 0 | 0 | 0 | 110.7 | I771 N772 V775 F825 K826 N831 L832 T833 | I771-I829 HydrophobicContact CG2-CD1 3.73Å; N772-I829 HydrophobicContact CB-CG2 3.95Å; V775-I829 HydrophobicContact CB-CD1 4.27Å; V775-I829 HydrophobicContact CG2-CD1 3.73Å; F825-I829 HydrophobicContact CD1-CD1 4.16Å; F825-I829 HydrophobicContact CD2-CG1 4.45Å; F825-I829 HydrophobicContact CE1-CD1 3.69Å; F825-I829 HydrophobicContact CE2-CD1 4.08Å; F825-I829 HydrophobicContact CE2-CG1 4.07Å; F825-I829 HydrophobicContact CZ-CD1 3.65Å; F825-I829 HydrophobicContact CZ-CG1 4.14Å; F825-I829 PolarHBondContact O-N 2.84Å; K826-I829 PolarHBondContact O-N 2.87Å; I829-N831 PolarHBondContact O-N 3.46Å; I829-L832 PolarHBondContact O-N 3.12Å; I829-L832 VanDerWaalsContact O-N 3.12Å; I829-T833 PolarHBondContact O-N 2.65Å; I829-T833 PolarHBondContact O-OG1 3Å |
| 830 | Q | 78.3 | Confident | 79.2 | Confident | 95 Ų | 95 | 38.4 Ų | 38.4 | 44% | 0.444 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59 | -36.1 | -179.4 | -74.2 | -177.9 | -13.4 | 0 | 0 | 112.5 | K826 F828 K834 | K826-Q830 WeakPolarHBondContact O-CG 3.27Å; K826-Q830 PolarHBondContact O-N 2.78Å; K826-Q830 VanDerWaalsContact O-N 3.07Å; F828-Q830 VanDerWaalsContact C-N 3.34Å; F828-Q830 PolarHBondContact O-N 3.08Å; Q830-K834 VanDerWaalsContact O-CG 3.31Å; Q830-K834 WeakPolarHBondContact O-CG 3.31Å; Q830-K834 PolarHBondContact O-N 2.77Å |
| 831 | N | 81.5 | Confident | 78.7 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -80.9 | -29.4 | 176.9 | -67.2 | -47.1 | 0 | 0 | 0 | 113.1 | S827 F828 I829 K834 A835 L884 N887 | S827-N831 PolarHBondContact O-N 2.83Å; S827-N831 VanDerWaalsContact O-N 3.17Å; S827-N831 PolarHBondContact O-ND2 2.86Å; F828-N831 PolarHBondContact O-N 3.47Å; I829-N831 PolarHBondContact O-N 3.46Å; N831-K834 PolarHBondContact OD1-NZ 3.4Å; N831-A835 WeakPolarHBondContact O-CB 3.18Å; N831-A835 PolarHBondContact O-N 2.8Å; N831-L884 HydrophobicContact CB-CB 4.47Å; N831-L884 HydrophobicContact CB-CD1 4.07Å; N831-N887 PolarHBondContact ND2-ND2 2.77Å |
| 832 | L | 80.2 | Confident | 78.1 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -46 | 168.1 | -84.8 | 174.1 | 0 | 0 | 0 | 112.4 | T732 V736 F828 I829 K834 A835 Y836 L884 L904 | T732-L832 HydrophobicContact CG2-CD1 3.44Å; T732-L832 VanDerWaalsContact CG2-CD1 3.44Å; V736-L832 HydrophobicContact CG2-CD1 3.88Å; V736-L832 HydrophobicContact CG2-CD2 3.87Å; F828-L832 HydrophobicContact CD1-CD1 3.96Å; F828-L832 HydrophobicContact CD2-CD1 4.46Å; F828-L832 HydrophobicContact CE1-CD1 3.49Å; F828-L832 VanDerWaalsContact CE1-CD1 3.49Å; F828-L832 HydrophobicContact CE2-CD1 4.02Å; F828-L832 HydrophobicContact CE2-CG 4.23Å; F828-L832 HydrophobicContact CG-CD1 4.44Å; F828-L832 HydrophobicContact CZ-CD1 3.52Å; F828-L832 HydrophobicContact CZ-CG 4.21Å; F828-L832 PolarHBondContact O-N 3.06Å; I829-L832 PolarHBondContact O-N 3.12Å; I829-L832 VanDerWaalsContact O-N 3.12Å; L832-K834 VanDerWaalsContact C-N 3.33Å; L832-K834 PolarHBondContact O-N 2.94Å; L832-A835 WeakPolarHBondContact O-CB 3.43Å; L832-A835 PolarHBondContact O-N 3.33Å; L832-Y836 HydrophobicContact CD2-CE2 4.18Å; L832-Y836 VanDerWaalsContact O-CD2 3.26Å; L832-Y836 WeakPolarHBondContact O-CD2 3.44Å; L832-Y836 PolarHBondContact O-N 2.98Å; L832-L884 HydrophobicContact CD2-CD1 4.18Å; L832-L884 HydrophobicContact CG-CD1 4.12Å; L832-L904 HydrophobicContact CD2-CD2 3.79Å |
| 833 | T | 75.8 | Confident | 77.1 | Confident | 29 Ų | 29 | 39.4 Ų | 39.4 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.7 | -53.8 | 0 | 0 | 0 | 0 | 111.2 | I829 A835 N837 | I829-T833 PolarHBondContact O-N 2.65Å; I829-T833 PolarHBondContact O-OG1 3Å; T833-A835 PolarHBondContact O-N 3.2Å; T833-N837 WeakPolarHBondContact O-CB 3.2Å; T833-N837 PolarHBondContact O-N 3.22Å; T833-N837 VanDerWaalsContact O-N 3.1Å; T833-N837 PolarHBondContact O-ND2 2.86Å; T833-N837 PolarHBondContact O-OD1 3.4Å |
| 834 | K | 77.5 | Confident | 76.2 | Confident | 99 Ų | 99 | 37.7 Ų | 37.7 | 43% | 0.43 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.9 | -45.8 | 170.6 | -67.8 | 171.5 | -167.1 | 167.8 | 0 | 111.7 | Q830 N831 L832 Y836 N837 I838 I878 | Q830-K834 VanDerWaalsContact O-CG 3.31Å; Q830-K834 WeakPolarHBondContact O-CG 3.31Å; Q830-K834 PolarHBondContact O-N 2.77Å; N831-K834 PolarHBondContact OD1-NZ 3.4Å; L832-K834 VanDerWaalsContact C-N 3.33Å; L832-K834 PolarHBondContact O-N 2.94Å; K834-Y836 PolarHBondContact O-N 2.63Å; K834-N837 PolarHBondContact O-N 2.58Å; K834-I838 PolarHBondContact O-N 2.83Å; K834-I878 HydrophobicContact CB-CD1 3.54Å; K834-I878 HydrophobicContact CB-CG1 3.97Å; K834-I878 HydrophobicContact CD-CG1 4.3Å |
| 835 | A | 77.7 | Confident | 75.6 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N831 L832 T833 I838 I839 I878 L884 L904 L908 | N831-A835 WeakPolarHBondContact O-CB 3.18Å; N831-A835 PolarHBondContact O-N 2.8Å; L832-A835 WeakPolarHBondContact O-CB 3.43Å; L832-A835 PolarHBondContact O-N 3.33Å; T833-A835 PolarHBondContact O-N 3.2Å; A835-I838 PolarHBondContact O-N 2.9Å; A835-I839 WeakPolarHBondContact O-CG1 3.47Å; A835-I878 HydrophobicContact CB-CG2 4.04Å; A835-L884 HydrophobicContact CB-CD2 4.37Å; A835-L904 HydrophobicContact CB-CD2 4.03Å; A835-L908 HydrophobicContact CB-CD1 4.1Å |
| 836 | Y | 74.3 | Confident | 74.7 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 6% | 0.059 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -37.1 | 176.2 | -73.8 | -60.6 | 0 | 0 | 0 | 113 | V736 A739 L760 I768 L832 K834 I838 I839 P840 | V736-Y836 WeakPolarHBondContact CA-OH 3.47Å; V736-Y836 HydrophobicContact CG2-CE2 4.44Å; A739-Y836 HydrophobicContact CB-CE1 4.13Å; L760-Y836 HydrophobicContact CD1-CD1 3.68Å; L760-Y836 HydrophobicContact CD1-CE1 4.34Å; L760-Y836 HydrophobicContact CD1-CG 3.83Å; L760-Y836 HydrophobicContact CD2-CD1 3.96Å; L760-Y836 HydrophobicContact CD2-CE1 3.88Å; L760-Y836 HydrophobicContact CG-CD1 4.21Å; I768-Y836 HydrophobicContact CD1-CD2 3.88Å; I768-Y836 HydrophobicContact CD1-CE2 3.67Å; L832-Y836 HydrophobicContact CD2-CE2 4.18Å; L832-Y836 VanDerWaalsContact O-CD2 3.26Å; L832-Y836 WeakPolarHBondContact O-CD2 3.44Å; L832-Y836 PolarHBondContact O-N 2.98Å; K834-Y836 PolarHBondContact O-N 2.63Å; Y836-I838 VanDerWaalsContact C-N 3.26Å; Y836-I838 PolarHBondContact O-N 2.65Å; Y836-I839 HydrophobicContact CD1-CD1 3.93Å; Y836-I839 PolarHBondContact O-N 3.36Å; Y836-P840 WeakPolarHBondContact O-CD 3.36Å |
| 837 | N | 71.5 | Confident | 73.6 | Confident | 107 Ų | 107 | 39.3 Ų | 39.3 | 57% | 0.572 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -65.4 | -23.7 | 178.5 | -72.6 | -4.8 | 0 | 0 | 0 | 113.9 | T833 K834 P840 | T833-N837 WeakPolarHBondContact O-CB 3.2Å; T833-N837 PolarHBondContact O-N 3.22Å; T833-N837 VanDerWaalsContact O-N 3.1Å; T833-N837 PolarHBondContact O-ND2 2.86Å; T833-N837 PolarHBondContact O-OD1 3.4Å; K834-N837 PolarHBondContact O-N 2.58Å; N837-P840 WeakPolarHBondContact O-CD 3.5Å |
| 838 | I | 76.2 | Confident | 72.8 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -80 | -21.7 | 176.1 | -67.1 | -172.2 | 0 | 0 | 0 | 112.7 | K834 A835 Y836 E841 L842 A874 I875 I878 | K834-I838 PolarHBondContact O-N 2.83Å; A835-I838 PolarHBondContact O-N 2.9Å; Y836-I838 VanDerWaalsContact C-N 3.26Å; Y836-I838 PolarHBondContact O-N 2.65Å; I838-E841 WeakPolarHBondContact O-CA 3.36Å; I838-E841 WeakPolarHBondContact O-CB 3.33Å; I838-E841 PolarHBondContact O-N 3.02Å; I838-L842 HydrophobicContact CG2-CD1 3.98Å; I838-L842 HydrophobicContact CG2-CG 4.1Å; I838-L842 PolarHBondContact O-N 2.96Å; I838-A874 HydrophobicContact CD1-CB 3.53Å; I838-A874 WeakPolarHBondContact CD1-O 3.3Å; I838-I875 HydrophobicContact CD1-CG1 4.42Å; I838-I875 HydrophobicContact CG2-CD1 4.29Å; I838-I875 HydrophobicContact CG2-CG1 3.76Å; I838-I878 HydrophobicContact CD1-CD1 3.44Å; I838-I878 VanDerWaalsContact CD1-CD1 3.44Å; I838-I878 HydrophobicContact CG1-CD1 4.17Å |
| 839 | I | 72.7 | Confident | 71.8 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | -175.1 | -50.5 | -177.7 | 0 | 0 | 0 | 113 | V759 A835 Y836 L842 N843 L904 Y907 | V759-I839 HydrophobicContact CB-CG2 4.2Å; V759-I839 HydrophobicContact CG1-CG2 3.73Å; V759-I839 HydrophobicContact CG2-CG2 4.27Å; A835-I839 WeakPolarHBondContact O-CG1 3.47Å; Y836-I839 HydrophobicContact CD1-CD1 3.93Å; Y836-I839 PolarHBondContact O-N 3.36Å; I839-L842 WeakPolarHBondContact O-CB 3.46Å; I839-L842 PolarHBondContact O-N 2.75Å; I839-N843 PolarHBondContact O-N 3.13Å; I839-L904 HydrophobicContact CD1-CD1 4.29Å; I839-Y907 HydrophobicContact CD1-CE1 4.49Å; I839-Y907 HydrophobicContact CG1-CE1 4.46Å; I839-Y907 HydrophobicContact CG2-CE1 4.33Å |
| 840 | P | 66.8 | Low | 70.4 | Confident | 75 Ų | 75 | 47 Ų | 47 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 169.1 | -24.9 | 35.5 | 0 | 0 | 0 | 113.6 | Y836 N837 L842 N843 S844 | Y836-P840 WeakPolarHBondContact O-CD 3.36Å; N837-P840 WeakPolarHBondContact O-CD 3.5Å; P840-L842 VanDerWaalsContact C-N 3.34Å; P840-N843 PolarHBondContact O-N 2.93Å; P840-S844 PolarHBondContact O-N 2.68Å |
| 841 | E | 72.3 | Confident | 69.4 | Low | 79 Ų | 79 | 47.4 Ų | 47.4 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.4 | -39.1 | 178.3 | -53.2 | -163.5 | 150.1 | 0 | 0 | 111.5 | I838 N843 S844 Y845 M866 L871 | I838-E841 WeakPolarHBondContact O-CA 3.36Å; I838-E841 WeakPolarHBondContact O-CB 3.33Å; I838-E841 PolarHBondContact O-N 3.02Å; E841-N843 PolarHBondContact O-N 3.21Å; E841-S844 WeakPolarHBondContact O-CB 3.02Å; E841-S844 PolarHBondContact O-N 3.24Å; E841-Y845 WeakPolarHBondContact O-CB 3.37Å; E841-Y845 PolarHBondContact O-N 3.39Å; E841-M866 HydrophobicContact CB-CE 3.59Å; E841-M866 HydrophobicContact CB-SD 4.32Å; E841-M866 HydrophobicContact CG-CE 3.63Å; E841-L871 HydrophobicContact CB-CD1 4.26Å |
| 842 | L | 71.3 | Confident | 68.2 | Low | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 172.6 | -92.4 | 165.4 | 0 | 0 | 0 | 113 | I838 I839 P840 Y845 K846 L871 I875 Y907 L908 Q911 I915 | I838-L842 HydrophobicContact CG2-CD1 3.98Å; I838-L842 HydrophobicContact CG2-CG 4.1Å; I838-L842 PolarHBondContact O-N 2.96Å; I839-L842 WeakPolarHBondContact O-CB 3.46Å; I839-L842 PolarHBondContact O-N 2.75Å; P840-L842 VanDerWaalsContact C-N 3.34Å; L842-Y845 PolarHBondContact O-N 3.08Å; L842-K846 WeakPolarHBondContact O-CG 3.4Å; L842-K846 PolarHBondContact O-N 3.33Å; L842-L871 HydrophobicContact CB-CD2 4.45Å; L842-L871 HydrophobicContact CD2-CD2 3.89Å; L842-L871 HydrophobicContact CG-CD2 3.92Å; L842-I875 HydrophobicContact CD1-CD1 4.02Å; L842-I875 HydrophobicContact CD2-CD1 3.85Å; L842-I875 HydrophobicContact CG-CD1 4.05Å; L842-Y907 HydrophobicContact CD1-CE1 4.4Å; L842-L908 HydrophobicContact CD1-CD2 4.17Å; L842-Q911 HydrophobicContact CD1-CB 3.98Å; L842-Q911 HydrophobicContact CD1-CG 3.92Å; L842-Q911 HydrophobicContact CD2-CB 3.63Å; L842-Q911 HydrophobicContact CD2-CG 4.06Å; L842-Q911 HydrophobicContact CG-CB 4.47Å; L842-I915 HydrophobicContact CD2-CD1 3.67Å; L842-I915 HydrophobicContact CD2-CG1 4.46Å |
| 843 | N | 64 | Low | 66.7 | Low | 55 Ų | 55 | 55.4 Ų | 55.4 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -69.9 | -35.4 | 177.3 | -74.3 | -12.5 | 0 | 0 | 0 | 111.9 | V759 I839 P840 E841 S847 | V759-N843 WeakPolarHBondContact CG2-ND2 3.21Å; I839-N843 PolarHBondContact O-N 3.13Å; P840-N843 PolarHBondContact O-N 2.93Å; E841-N843 PolarHBondContact O-N 3.21Å; N843-S847 WeakPolarHBondContact O-CB 3.38Å; N843-S847 PolarHBondContact O-N 2.79Å; N843-S847 VanDerWaalsContact O-N 3.09Å; N843-S847 PolarHBondContact O-OG 2.75Å |
| 844 | S | 64.6 | Low | 65.3 | Low | 43 Ų | 43 | 58.2 Ų | 58.2 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -47 | 170.7 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | P840 E841 S847 N848 M866 | P840-S844 PolarHBondContact O-N 2.68Å; E841-S844 WeakPolarHBondContact O-CB 3.02Å; E841-S844 PolarHBondContact O-N 3.24Å; S844-S847 PolarHBondContact O-N 3.37Å; S844-N848 PolarHBondContact O-N 3.34Å; S844-N848 PolarHBondContact O-ND2 3.29Å; S844-N848 PolarHBondContact OG-ND2 2.93Å; S844-M866 PolarHBondContact OG-SD 3.23Å; S844-M866 VanDerWaalsContact OG-SD 3.37Å |
| 845 | Y | 70 | Confident | 64.1 | Low | 20 Ų | 20 | 55.3 Ų | 55.3 | 8% | 0.078 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 178.1 | -177.4 | -96.6 | 0 | 0 | 0 | 111.9 | E841 L842 S847 N848 Y849 L871 I915 S918 | E841-Y845 WeakPolarHBondContact O-CB 3.37Å; E841-Y845 PolarHBondContact O-N 3.39Å; L842-Y845 PolarHBondContact O-N 3.08Å; Y845-S847 VanDerWaalsContact C-N 3.3Å; Y845-S847 PolarHBondContact O-N 2.92Å; Y845-N848 PolarHBondContact O-N 3.48Å; Y845-Y849 WeakPolarHBondContact O-CB 3.28Å; Y845-Y849 PolarHBondContact O-N 3.37Å; Y845-L871 HydrophobicContact CG-CD2 4.23Å; Y845-I915 HydrophobicContact CD1-CG1 4.09Å; Y845-I915 HydrophobicContact CE1-CG1 3.98Å; Y845-S918 PolarHBondContact OH-OG 2.99Å |
| 846 | K | 65.1 | Low | 62.5 | Low | 56 Ų | 56 | 60.1 Ų | 60.1 | 24% | 0.243 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -54.2 | -45.1 | 174 | -77.8 | 177.5 | 178.2 | 172.5 | 0 | 112.6 | L842 Y849 L850 | L842-K846 WeakPolarHBondContact O-CG 3.4Å; L842-K846 PolarHBondContact O-N 3.33Å; K846-Y849 PolarHBondContact O-N 3.47Å; K846-L850 WeakPolarHBondContact O-CB 3.19Å; K846-L850 VanDerWaalsContact O-CG 3.31Å; K846-L850 WeakPolarHBondContact O-CG 3.38Å; K846-L850 PolarHBondContact O-N 2.89Å |
| 847 | S | 59.4 | Low | 60.9 | Low | 77 Ų | 77 | 64.2 Ų | 64.2 | 54% | 0.538 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | N843 S844 Y845 Y851 | N843-S847 WeakPolarHBondContact O-CB 3.38Å; N843-S847 PolarHBondContact O-N 2.79Å; N843-S847 VanDerWaalsContact O-N 3.09Å; N843-S847 PolarHBondContact O-OG 2.75Å; S844-S847 PolarHBondContact O-N 3.37Å; Y845-S847 VanDerWaalsContact C-N 3.3Å; Y845-S847 PolarHBondContact O-N 2.92Å; S847-Y851 WeakPolarHBondContact O-CB 3.45Å; S847-Y851 PolarHBondContact O-N 2.77Å |
| 848 | N | 63.9 | Low | 59.5 | Low | 53 Ų | 53 | 64.6 Ų | 64.6 | 28% | 0.283 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.7 | -35 | 178.6 | -73.1 | -59.2 | 0 | 0 | 0 | 113.2 | S844 Y845 Y851 R852 | S844-N848 PolarHBondContact O-N 3.34Å; S844-N848 PolarHBondContact O-ND2 3.29Å; S844-N848 PolarHBondContact OG-ND2 2.93Å; Y845-N848 PolarHBondContact O-N 3.48Å; N848-Y851 WeakPolarHBondContact O-CB 3.22Å; N848-Y851 PolarHBondContact O-N 3.02Å; N848-R852 WeakPolarHBondContact O-CG 3.39Å; N848-R852 PolarHBondContact O-N 2.86Å |
| 849 | Y | 63.2 | Low | 57.7 | Low | 39 Ų | 39 | 73.4 Ų | 73.4 | 15% | 0.153 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -50.6 | 174 | 168.6 | -108.5 | 0 | 0 | 0 | 111.6 | Y845 K846 Y851 R852 I853 S918 E921 | Y845-Y849 WeakPolarHBondContact O-CB 3.28Å; Y845-Y849 PolarHBondContact O-N 3.37Å; K846-Y849 PolarHBondContact O-N 3.47Å; Y849-Y851 PolarHBondContact O-N 2.95Å; Y849-R852 PolarHBondContact O-N 3.18Å; Y849-I853 HydrophobicContact CD1-CD1 4.44Å; Y849-I853 HydrophobicContact CD2-CD1 4.26Å; Y849-I853 HydrophobicContact CE1-CD1 3.78Å; Y849-I853 HydrophobicContact CE2-CD1 3.56Å; Y849-I853 HydrophobicContact CE2-CG1 4.31Å; Y849-I853 PolarHBondContact O-N 3.42Å; Y849-I853 WeakPolarHBondContact OH-CD1 3.35Å; Y849-S918 VanDerWaalsContact CE2-CB 3.47Å; Y849-S918 WeakPolarHBondContact CE2-O 3.41Å; Y849-S918 VanDerWaalsContact CZ-CB 3.45Å; Y849-E921 PolarHBondContact OH-OE2 3.36Å |
| 850 | L | 52.3 | Low | 56.2 | Low | 111 Ų | 111 | 75.5 Ų | 75.5 | 58% | 0.581 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -57.7 | -39.5 | 173.8 | -71.4 | 170 | 0 | 0 | 0 | 111.5 | K846 I853 S854 | K846-L850 WeakPolarHBondContact O-CB 3.19Å; K846-L850 VanDerWaalsContact O-CG 3.31Å; K846-L850 WeakPolarHBondContact O-CG 3.38Å; K846-L850 PolarHBondContact O-N 2.89Å; L850-I853 PolarHBondContact O-N 2.78Å; L850-S854 WeakPolarHBondContact O-CB 3.24Å; L850-S854 PolarHBondContact O-N 2.87Å; L850-S854 PolarHBondContact O-OG 2.81Å |
| 851 | Y | 56.8 | Low | 54.7 | Low | 105 Ų | 105 | 75.3 Ų | 75.3 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 175.3 | -163.8 | -98.5 | 0 | 0 | 0 | 112.1 | S847 N848 Y849 I853 S854 D855 K858 | S847-Y851 WeakPolarHBondContact O-CB 3.45Å; S847-Y851 PolarHBondContact O-N 2.77Å; N848-Y851 WeakPolarHBondContact O-CB 3.22Å; N848-Y851 PolarHBondContact O-N 3.02Å; Y849-Y851 PolarHBondContact O-N 2.95Å; Y851-I853 VanDerWaalsContact C-N 3.34Å; Y851-I853 PolarHBondContact O-N 2.99Å; Y851-S854 WeakPolarHBondContact CA-OG 3.36Å; Y851-S854 PolarHBondContact O-N 3.26Å; Y851-S854 VanDerWaalsContact O-N 3.12Å; Y851-S854 PolarHBondContact O-OG 2.87Å; Y851-D855 PolarHBondContact O-N 2.93Å; Y851-K858 HydrophobicContact CE1-CB 4.3Å; Y851-K858 HydrophobicContact CE1-CD 4.2Å; Y851-K858 WeakPolarHBondContact OH-CD 3.43Å |
| 852 | R | 56.5 | Low | 53 | Low | 112 Ų | 112 | 77.1 Ų | 77.1 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.8 | -37 | 177.7 | -73.9 | -174.7 | -172.7 | -174.7 | 5.9 | 113.5 | N848 Y849 | N848-R852 WeakPolarHBondContact O-CG 3.39Å; N848-R852 PolarHBondContact O-N 2.86Å; Y849-R852 PolarHBondContact O-N 3.18Å |
| 853 | I | 49.7 | Very low | 51.4 | Low | 65 Ų | 65 | 81.4 Ų | 81.4 | 33% | 0.333 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.1 | -38.1 | 174.7 | -73.5 | 179.3 | 0 | 0 | 0 | 111.1 | Y849 L850 Y851 | Y849-I853 HydrophobicContact CD1-CD1 4.44Å; Y849-I853 HydrophobicContact CD2-CD1 4.26Å; Y849-I853 HydrophobicContact CE1-CD1 3.78Å; Y849-I853 HydrophobicContact CE2-CD1 3.56Å; Y849-I853 HydrophobicContact CE2-CG1 4.31Å; Y849-I853 PolarHBondContact O-N 3.42Å; Y849-I853 WeakPolarHBondContact OH-CD1 3.35Å; L850-I853 PolarHBondContact O-N 2.78Å; Y851-I853 VanDerWaalsContact C-N 3.34Å; Y851-I853 PolarHBondContact O-N 2.99Å |
| 854 | S | 46.6 | Very low | 50.3 | Low | 89 Ų | 89 | 83.5 Ų | 83.5 | 62% | 0.622 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -76.4 | -26.3 | -178 | 69.3 | 0 | 0 | 0 | 0 | 114.8 | L850 Y851 | L850-S854 WeakPolarHBondContact O-CB 3.24Å; L850-S854 PolarHBondContact O-N 2.87Å; L850-S854 PolarHBondContact O-OG 2.81Å; Y851-S854 WeakPolarHBondContact CA-OG 3.36Å; Y851-S854 PolarHBondContact O-N 3.26Å; Y851-S854 VanDerWaalsContact O-N 3.12Å; Y851-S854 PolarHBondContact O-OG 2.87Å |
| 855 | D | 51.4 | Low | 49.4 | Very low | 38 Ų | 38 | 87.8 Ų | 87.8 | 20% | 0.203 | 48% | 0.48 | C | S | . | . | trans | -148.5 | 91.9 | 176 | -168.6 | -19.2 | 0 | 0 | 0 | 112.4 | Y851 S857 K858 | Y851-D855 PolarHBondContact O-N 2.93Å; D855-S857 PolarHBondContact O-N 3.14Å; D855-S857 VanDerWaalsContact O-N 3.11Å; D855-S857 VanDerWaalsContact OD1-CB 3.31Å; D855-S857 WeakPolarHBondContact OD1-CB 3.5Å; D855-S857 PolarHBondContact OD1-N 3.13Å; D855-S857 PolarHBondContact OD1-OG 3.12Å; D855-K858 IonicContact OD2-NZ 2.69Å; D855-K858 PolarHBondContact OD2-NZ 3.43Å | ||
| 856 | P | 43.4 | Very low | 48.6 | Very low | 101 Ų | 101 | 89.8 Ų | 89.8 | 66% | 0.656 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -7.9 | 176.7 | -23.8 | 35.2 | 0 | 0 | 0 | 115.3 | ||
| 857 | S | 41.3 | Very low | 48.5 | Very low | 100 Ų | 100 | 90.1 Ų | 90.1 | 70% | 0.699 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -17.5 | -172.4 | 76.2 | 0 | 0 | 0 | 0 | 114.7 | D855 | D855-S857 PolarHBondContact O-N 3.14Å; D855-S857 VanDerWaalsContact O-N 3.11Å; D855-S857 VanDerWaalsContact OD1-CB 3.31Å; D855-S857 WeakPolarHBondContact OD1-CB 3.5Å; D855-S857 PolarHBondContact OD1-N 3.13Å; D855-S857 PolarHBondContact OD1-OG 3.12Å |
| 858 | K | 41.2 | Very low | 48.8 | Very low | 115 Ų | 115 | 86.9 Ų | 86.9 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | trans | -92.3 | 113.1 | -172.3 | -72.2 | -171.6 | 174.5 | 92.1 | 0 | 113 | Y851 D855 V860 | Y851-K858 HydrophobicContact CE1-CB 4.3Å; Y851-K858 HydrophobicContact CE1-CD 4.2Å; Y851-K858 WeakPolarHBondContact OH-CD 3.43Å; D855-K858 IonicContact OD2-NZ 2.69Å; D855-K858 PolarHBondContact OD2-NZ 3.43Å; K858-V860 PolarHBondContact O-N 2.94Å | ||
| 859 | Q | 39.6 | Very low | 49 | Very low | 198 Ų | 198 | 89.6 Ų | 89.6 | 93% | 0.925 | 48% | 0.484 | S | S | * | . | trans | -68.4 | 113.1 | 167 | -69.1 | -172.8 | -5.5 | 0 | 0 | 110.7 | ||||
| 860 | V | 40.7 | Very low | 49.4 | Very low | 53 Ų | 53 | 93.9 Ų | 93.9 | 32% | 0.321 | 50% | 0.504 | S | S | . | . | trans | -72.2 | 138.1 | 165.6 | 179.4 | 0 | 0 | 0 | 0 | 109 | K858 N864 | K858-V860 PolarHBondContact O-N 2.94Å; V860-N864 HydrophobicContact CG1-CB 3.9Å | ||
| 861 | S | 35.3 | Very low | 50.4 | Low | 71 Ų | 71 | 88.8 Ų | 88.8 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | trans | -58.3 | 146.3 | -179.9 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | S863 N864 | S861-S863 PolarHBondContact O-N 2.98Å; S861-S863 PolarHBondContact OG-OG 2.66Å; S861-N864 PolarHBondContact O-N 3.01Å | ||
| 862 | S | 36.5 | Very low | 51.4 | Low | 116 Ų | 116 | 85.8 Ų | 85.8 | 81% | 0.811 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -12.1 | -172.5 | 48.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 863 | S | 37.6 | Very low | 52.5 | Low | 93 Ų | 93 | 86.1 Ų | 86.1 | 65% | 0.65 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -24.7 | 173.5 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | S861 | S861-S863 PolarHBondContact O-N 2.98Å; S861-S863 PolarHBondContact OG-OG 2.66Å |
| 864 | N | 40.8 | Very low | 53.8 | Low | 98 Ų | 98 | 84.7 Ų | 84.7 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | trans | -111.4 | 21.7 | -164.9 | -70.8 | 27.2 | 0 | 0 | 0 | 113.4 | V860 S861 M866 | V860-N864 HydrophobicContact CG1-CB 3.9Å; S861-N864 PolarHBondContact O-N 3.01Å; N864-M866 VanDerWaalsContact C-N 3.33Å; N864-M866 PolarHBondContact O-N 3.04Å | ||
| 865 | Q | 46.7 | Very low | 55.3 | Low | 134 Ų | 134 | 80.5 Ų | 80.5 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | trans | -78 | 82.1 | 172.7 | -67.8 | -170.3 | -7.4 | 0 | 0 | 111 | D867 | Q865-D867 PolarHBondContact O-N 3.09Š| ||
| 866 | M | 53 | Low | 56.6 | Low | 61 Ų | 61 | 83.9 Ų | 83.9 | 30% | 0.3 | 46% | 0.455 | S | S | . | . | trans | -62.2 | 119.9 | 157.5 | -99.4 | 179.1 | 173.7 | 0 | 0 | 108.6 | E841 S844 N864 L871 | E841-M866 HydrophobicContact CB-CE 3.59Å; E841-M866 HydrophobicContact CB-SD 4.32Å; E841-M866 HydrophobicContact CG-CE 3.63Å; S844-M866 PolarHBondContact OG-SD 3.23Å; S844-M866 VanDerWaalsContact OG-SD 3.37Å; N864-M866 VanDerWaalsContact C-N 3.33Å; N864-M866 PolarHBondContact O-N 3.04Å; M866-L871 HydrophobicContact CG-CD1 4.32Å; M866-L871 HydrophobicContact SD-CD1 4.24Å | ||
| 867 | D | 63 | Low | 58.3 | Low | 64 Ų | 64 | 81.7 Ų | 81.7 | 34% | 0.342 | 44% | 0.438 | S | S | . | . | trans | -95.7 | 122 | -169.5 | -174.7 | -9.9 | 0 | 0 | 0 | 108.9 | Q865 H869 K870 L871 | Q865-D867 PolarHBondContact O-N 3.09Å; D867-H869 VanDerWaalsContact C-N 3.28Å; D867-H869 PolarHBondContact O-N 3.26Å; D867-H869 PolarHBondContact OD1-N 2.82Å; D867-K870 HydrophobicContact CB-CB 4.09Å; D867-K870 HydrophobicContact CB-CD 3.84Å; D867-K870 HydrophobicContact CB-CG 3.79Å; D867-K870 WeakPolarHBondContact O-CB 3.25Å; D867-K870 PolarHBondContact O-N 2.84Å; D867-K870 WeakPolarHBondContact OD2-CE 3.22Å; D867-K870 IonicContact OD2-NZ 3.23Å; D867-K870 PolarHBondContact OD2-NZ 2.73Å; D867-L871 PolarHBondContact O-N 2.89Å; D867-L871 VanDerWaalsContact O-N 3.15Å | ||
| 868 | G | 64.6 | Low | 60 | Low | 8 Ų | 8 | 77.2 Ų | 77.2 | 8% | 0.082 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.3 | -43.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K870 L871 E872 | G868-K870 VanDerWaalsContact C-N 3.31Å; G868-K870 PolarHBondContact O-N 3.48Å; G868-L871 PolarHBondContact O-N 2.89Å; G868-E872 WeakPolarHBondContact O-CB 3.14Å; G868-E872 PolarHBondContact O-N 3.3Å |
| 869 | H | 69.6 | Low | 61.5 | Low | 110 Ų | 110 | 73.3 Ų | 73.3 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.4 | -28.9 | 176.5 | -76.4 | -52.7 | 0 | 0 | 0 | 113.6 | D867 E872 Q873 Q919 | D867-H869 VanDerWaalsContact C-N 3.28Å; D867-H869 PolarHBondContact O-N 3.26Å; D867-H869 PolarHBondContact OD1-N 2.82Å; H869-E872 IonicContact CE1-OE2 3.68Å; H869-E872 IonicContact CG-OE2 2.59Å; H869-E872 IonicContact ND1-OE2 2.66Å; H869-E872 PolarHBondContact ND1-OE2 3.47Å; H869-Q873 WeakPolarHBondContact O-CB 3.49Å; H869-Q873 PolarHBondContact O-N 3.32Å; H869-Q919 PolarHBondContact CE1-NE2 2.84Å; H869-Q919 PolarHBondContact ND1-NE2 3.22Å; H869-Q919 PolarHBondContact NE2-NE2 2.82Å |
| 870 | K | 71.2 | Confident | 62.9 | Low | 130 Ų | 130 | 67.3 Ų | 67.3 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -71.5 | -38.3 | 175 | -65 | -175.3 | -173.2 | 107.1 | 0 | 111.1 | D867 G868 A874 | D867-K870 HydrophobicContact CB-CB 4.09Å; D867-K870 HydrophobicContact CB-CD 3.84Å; D867-K870 HydrophobicContact CB-CG 3.79Å; D867-K870 WeakPolarHBondContact O-CB 3.25Å; D867-K870 PolarHBondContact O-N 2.84Å; D867-K870 WeakPolarHBondContact OD2-CE 3.22Å; D867-K870 IonicContact OD2-NZ 3.23Å; D867-K870 PolarHBondContact OD2-NZ 2.73Å; G868-K870 VanDerWaalsContact C-N 3.31Å; G868-K870 PolarHBondContact O-N 3.48Å; K870-A874 WeakPolarHBondContact O-CB 3.39Å; K870-A874 PolarHBondContact O-N 2.91Å |
| 871 | L | 73.2 | Confident | 63.7 | Low | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.6 | -46.2 | 172.8 | -110.8 | 100.6 | 0 | 0 | 0 | 111.7 | E841 L842 Y845 M866 D867 G868 Q873 A874 I875 I915 | E841-L871 HydrophobicContact CB-CD1 4.26Å; L842-L871 HydrophobicContact CB-CD2 4.45Å; L842-L871 HydrophobicContact CD2-CD2 3.89Å; L842-L871 HydrophobicContact CG-CD2 3.92Å; Y845-L871 HydrophobicContact CG-CD2 4.23Å; M866-L871 HydrophobicContact CG-CD1 4.32Å; M866-L871 HydrophobicContact SD-CD1 4.24Å; D867-L871 PolarHBondContact O-N 2.89Å; D867-L871 VanDerWaalsContact O-N 3.15Å; G868-L871 PolarHBondContact O-N 2.89Å; L871-Q873 PolarHBondContact O-N 2.65Å; L871-A874 PolarHBondContact O-N 3.32Å; L871-I875 WeakPolarHBondContact O-CB 3.5Å; L871-I875 WeakPolarHBondContact O-CD1 3.1Å; L871-I875 VanDerWaalsContact O-CG1 3.27Å; L871-I875 WeakPolarHBondContact O-CG1 3.24Å; L871-I875 PolarHBondContact O-N 3.47Å; L871-I915 HydrophobicContact CB-CD1 4.16Å; L871-I915 HydrophobicContact CD2-CD1 4Å |
| 872 | E | 78.4 | Confident | 64.7 | Low | 42 Ų | 42 | 72.3 Ų | 72.3 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -53.5 | -52.9 | 174.1 | -172.7 | -159.4 | 178.6 | 0 | 0 | 110.6 | G868 H869 I875 F876 L912 I915 K916 | G868-E872 WeakPolarHBondContact O-CB 3.14Å; G868-E872 PolarHBondContact O-N 3.3Å; H869-E872 IonicContact CE1-OE2 3.68Å; H869-E872 IonicContact CG-OE2 2.59Å; H869-E872 IonicContact ND1-OE2 2.66Å; H869-E872 PolarHBondContact ND1-OE2 3.47Å; E872-I875 PolarHBondContact O-N 3.24Å; E872-F876 VanDerWaalsContact O-CB 3.25Å; E872-F876 WeakPolarHBondContact O-CB 3.45Å; E872-F876 PolarHBondContact O-N 3.2Å; E872-L912 HydrophobicContact CB-CD1 4.3Å; E872-L912 HydrophobicContact CG-CD1 3.6Å; E872-I915 HydrophobicContact CB-CG2 4.12Å; E872-K916 WeakPolarHBondContact OE1-CE 3.27Å; E872-K916 IonicContact OE1-NZ 2.66Å |
| 873 | Q | 78.3 | Confident | 66.3 | Low | 119 Ų | 119 | 67.8 Ų | 67.8 | 56% | 0.556 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | -179.9 | -175.7 | 174.8 | 0.1 | 0 | 0 | 112.1 | H869 L871 F876 D877 | H869-Q873 WeakPolarHBondContact O-CB 3.49Å; H869-Q873 PolarHBondContact O-N 3.32Å; L871-Q873 PolarHBondContact O-N 2.65Å; Q873-F876 PolarHBondContact O-N 3.09Å; Q873-D877 WeakPolarHBondContact O-CB 3.05Å; Q873-D877 PolarHBondContact O-N 3.37Å |
| 874 | A | 77.6 | Confident | 68 | Low | 34 Ų | 34 | 63.4 Ų | 63.4 | 28% | 0.281 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I838 K870 L871 I878 | I838-A874 HydrophobicContact CD1-CB 3.53Å; I838-A874 WeakPolarHBondContact CD1-O 3.3Å; K870-A874 WeakPolarHBondContact O-CB 3.39Å; K870-A874 PolarHBondContact O-N 2.91Å; L871-A874 PolarHBondContact O-N 3.32Å; A874-I878 WeakPolarHBondContact O-CG1 3.3Å; A874-I878 PolarHBondContact O-N 3.13Å |
| 875 | I | 76.9 | Confident | 69.4 | Low | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 171.5 | -66.9 | 164.3 | 0 | 0 | 0 | 110.2 | I838 L842 L871 E872 D877 I878 I879 L908 L912 I915 | I838-I875 HydrophobicContact CD1-CG1 4.42Å; I838-I875 HydrophobicContact CG2-CD1 4.29Å; I838-I875 HydrophobicContact CG2-CG1 3.76Å; L842-I875 HydrophobicContact CD1-CD1 4.02Å; L842-I875 HydrophobicContact CD2-CD1 3.85Å; L842-I875 HydrophobicContact CG-CD1 4.05Å; L871-I875 WeakPolarHBondContact O-CB 3.5Å; L871-I875 WeakPolarHBondContact O-CD1 3.1Å; L871-I875 VanDerWaalsContact O-CG1 3.27Å; L871-I875 WeakPolarHBondContact O-CG1 3.24Å; L871-I875 PolarHBondContact O-N 3.47Å; E872-I875 PolarHBondContact O-N 3.24Å; I875-D877 PolarHBondContact O-N 3.02Å; I875-I878 PolarHBondContact O-N 3.32Å; I875-I878 VanDerWaalsContact O-N 3.16Å; I875-I879 HydrophobicContact CG2-CD1 3.57Å; I875-I879 HydrophobicContact CG2-CG1 4.3Å; I875-I879 WeakPolarHBondContact O-CG1 3.31Å; I875-I879 PolarHBondContact O-N 2.93Å; I875-L908 HydrophobicContact CG2-CB 4.23Å; I875-L912 HydrophobicContact CB-CD1 4.34Å; I875-L912 HydrophobicContact CG2-CB 4Å; I875-L912 HydrophobicContact CG2-CD1 4.23Å; I875-L912 HydrophobicContact CG2-CG 4.5Å; I875-I915 HydrophobicContact CD1-CD1 3.49Å; I875-I915 VanDerWaalsContact CD1-CD1 3.49Å |
| 876 | F | 79.8 | Confident | 70.6 | Confident | 110 Ų | 110 | 54.8 Ų | 54.8 | 48% | 0.482 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 178.1 | -176.2 | -95.9 | 0 | 0 | 0 | 112.3 | E872 Q873 I878 I879 K880 | E872-F876 VanDerWaalsContact O-CB 3.25Å; E872-F876 WeakPolarHBondContact O-CB 3.45Å; E872-F876 PolarHBondContact O-N 3.2Å; Q873-F876 PolarHBondContact O-N 3.09Å; F876-I878 PolarHBondContact O-N 3.28Å; F876-I879 PolarHBondContact O-N 2.96Å; F876-K880 WeakPolarHBondContact O-CA 3.37Å; F876-K880 WeakPolarHBondContact O-CB 3.48Å; F876-K880 PolarHBondContact O-N 3.39Å |
| 877 | D | 77.9 | Confident | 71.5 | Confident | 55 Ų | 55 | 52.4 Ų | 52.4 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.4 | -15.4 | 178.3 | -84.9 | -34.1 | 0 | 0 | 0 | 113.8 | Q873 I875 K880 C883 | Q873-D877 WeakPolarHBondContact O-CB 3.05Å; Q873-D877 PolarHBondContact O-N 3.37Å; I875-D877 PolarHBondContact O-N 3.02Å; D877-K880 IonicContact OD1-NZ 2.66Å; D877-K880 PolarHBondContact OD1-NZ 2.95Å; D877-C883 PolarHBondContact O-SG 3.44Å |
| 878 | I | 77 | Confident | 71.8 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -90 | -44.4 | 171.2 | -66.5 | 174 | 0 | 0 | 0 | 111.6 | K834 A835 I838 A874 I875 F876 K880 C883 L884 L908 | K834-I878 HydrophobicContact CB-CD1 3.54Å; K834-I878 HydrophobicContact CB-CG1 3.97Å; K834-I878 HydrophobicContact CD-CG1 4.3Å; A835-I878 HydrophobicContact CB-CG2 4.04Å; I838-I878 HydrophobicContact CD1-CD1 3.44Å; I838-I878 VanDerWaalsContact CD1-CD1 3.44Å; I838-I878 HydrophobicContact CG1-CD1 4.17Å; A874-I878 WeakPolarHBondContact O-CG1 3.3Å; A874-I878 PolarHBondContact O-N 3.13Å; I875-I878 PolarHBondContact O-N 3.32Å; I875-I878 VanDerWaalsContact O-N 3.16Å; F876-I878 PolarHBondContact O-N 3.28Å; I878-K880 PolarHBondContact O-N 2.76Å; I878-C883 WeakPolarHBondContact O-CB 2.95Å; I878-L884 HydrophobicContact CG2-CB 4.09Å; I878-L884 HydrophobicContact CG2-CD2 4.08Å; I878-L884 VanDerWaalsContact O-CB 3.24Å; I878-L884 WeakPolarHBondContact O-CB 3.41Å; I878-L884 PolarHBondContact O-N 2.59Å; I878-L908 HydrophobicContact CG2-CD1 4.47Å |
| 879 | I | 73.4 | Confident | 72.1 | Confident | 33 Ų | 33 | 53 Ų | 53 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.5 | -22 | 178.3 | -61.2 | 172.2 | 0 | 0 | 0 | 111.4 | I875 F876 L908 L912 | I875-I879 HydrophobicContact CG2-CD1 3.57Å; I875-I879 HydrophobicContact CG2-CG1 4.3Å; I875-I879 WeakPolarHBondContact O-CG1 3.31Å; I875-I879 PolarHBondContact O-N 2.93Å; F876-I879 PolarHBondContact O-N 2.96Å; I879-L908 HydrophobicContact CD1-CB 3.83Å; I879-L908 HydrophobicContact CG1-CB 4.23Å; I879-L912 HydrophobicContact CD1-CD2 4.44Å |
| 880 | K | 69.9 | Low | 72.3 | Confident | 73 Ų | 73 | 50.4 Ų | 50.4 | 32% | 0.317 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -34.1 | 141 | -178.5 | -151.7 | 171.4 | -159.7 | 157.8 | 0 | 114 | F876 D877 I878 D882 C883 | F876-K880 WeakPolarHBondContact O-CA 3.37Å; F876-K880 WeakPolarHBondContact O-CB 3.48Å; F876-K880 PolarHBondContact O-N 3.39Å; D877-K880 IonicContact OD1-NZ 2.66Å; D877-K880 PolarHBondContact OD1-NZ 2.95Å; I878-K880 PolarHBondContact O-N 2.76Å; K880-D882 PolarHBondContact O-N 3Å; K880-C883 HydrophobicContact CB-CB 4.07Å; K880-C883 PolarHBondContact O-N 3.01Å |
| 881 | P | 56.6 | Low | 72.2 | Confident | 106 Ų | 106 | 44.2 Ų | 44.2 | 69% | 0.688 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -12.7 | -178.4 | -29.6 | 36.9 | 0 | 0 | 0 | 117 | P886 | P881-P886 WeakPolarHBondContact O-CD 3.18Å; P881-P886 WeakPolarHBondContact O-CG 3.27Å |
| 882 | D | 57.5 | Low | 72.1 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 65% | 0.652 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -1.8 | 179 | -44.4 | -65.9 | 0 | 0 | 0 | 113.6 | K880 P886 | K880-D882 PolarHBondContact O-N 3Å; D882-P886 VanDerWaalsContact C-CG 3.44Å |
| 883 | C | 69.8 | Low | 71.5 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 14% | 0.142 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -112.4 | -105.4 | -168.8 | -71.2 | 0 | 0 | 0 | 0 | 113.5 | D877 I878 K880 N887 | D877-C883 PolarHBondContact O-SG 3.44Å; I878-C883 WeakPolarHBondContact O-CB 2.95Å; K880-C883 HydrophobicContact CB-CB 4.07Å; K880-C883 PolarHBondContact O-N 3.01Å; C883-N887 WeakPolarHBondContact O-CB 3.32Å; C883-N887 PolarHBondContact O-ND2 2.68Å |
| 884 | L | 72.4 | Confident | 70.8 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.3 | -46.5 | -167.6 | -169.7 | 64.8 | 0 | 0 | 0 | 113.5 | F828 N831 L832 A835 I878 A888 V901 L904 I905 | F828-L884 HydrophobicContact CD2-CD1 4.49Å; F828-L884 HydrophobicContact CE2-CD1 4.48Å; N831-L884 HydrophobicContact CB-CB 4.47Å; N831-L884 HydrophobicContact CB-CD1 4.07Å; L832-L884 HydrophobicContact CD2-CD1 4.18Å; L832-L884 HydrophobicContact CG-CD1 4.12Å; A835-L884 HydrophobicContact CB-CD2 4.37Å; I878-L884 HydrophobicContact CG2-CB 4.09Å; I878-L884 HydrophobicContact CG2-CD2 4.08Å; I878-L884 VanDerWaalsContact O-CB 3.24Å; I878-L884 WeakPolarHBondContact O-CB 3.41Å; I878-L884 PolarHBondContact O-N 2.59Å; L884-A888 PolarHBondContact O-N 3.36Å; L884-A888 VanDerWaalsContact O-N 3.12Å; L884-V901 HydrophobicContact CD2-CG1 4.45Å; L884-V901 HydrophobicContact CG-CG1 4.38Å; L884-L904 HydrophobicContact CD2-CD2 4.4Å; L884-I905 HydrophobicContact CD2-CG1 4.1Å |
| 885 | S | 70.1 | Confident | 69.9 | Low | 25 Ų | 25 | 49.4 Ų | 49.4 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61 | -54.8 | -179.6 | -151.1 | 0 | 0 | 0 | 0 | 114.2 | N887 A888 E889 | S885-N887 VanDerWaalsContact C-N 3.25Å; S885-N887 PolarHBondContact O-N 2.87Å; S885-A888 PolarHBondContact O-N 2.85Å; S885-A888 VanDerWaalsContact O-N 3.11Å; S885-E889 WeakPolarHBondContact CB-OE1 3.36Å; S885-E889 WeakPolarHBondContact O-CG 3.18Å; S885-E889 PolarHBondContact O-N 2.82Å; S885-E889 PolarHBondContact OG-OE1 2.8Å |
| 886 | P | 71.9 | Confident | 69.2 | Low | 26 Ų | 26 | 53.1 Ų | 53.1 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.7 | -29.1 | -176 | 32.2 | -43 | 0 | 0 | 0 | 112.6 | P881 D882 N890 | P881-P886 WeakPolarHBondContact O-CD 3.18Å; P881-P886 WeakPolarHBondContact O-CG 3.27Å; D882-P886 VanDerWaalsContact C-CG 3.44Å; P886-N890 VanDerWaalsContact O-CB 3.23Å; P886-N890 WeakPolarHBondContact O-CB 3.43Å; P886-N890 VanDerWaalsContact O-CG 3.27Å; P886-N890 PolarHBondContact O-N 2.92Å; P886-N890 PolarHBondContact O-ND2 3.23Å |
| 887 | N | 72 | Confident | 68.2 | Low | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.064 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.1 | -45.5 | 174.6 | -83.7 | -45.5 | 0 | 0 | 0 | 110.6 | I824 S827 F828 N831 C883 S885 E889 N890 L891 | I824-N887 PolarHBondContact O-OD1 3.06Å; S827-N887 WeakPolarHBondContact CB-ND2 3.35Å; S827-N887 WeakPolarHBondContact CB-OD1 3.3Å; S827-N887 PolarHBondContact OG-ND2 3.46Å; F828-N887 HydrophobicContact CB-CB 3.95Å; F828-N887 HydrophobicContact CD2-CB 4.08Å; N831-N887 PolarHBondContact ND2-ND2 2.77Å; C883-N887 WeakPolarHBondContact O-CB 3.32Å; C883-N887 PolarHBondContact O-ND2 2.68Å; S885-N887 VanDerWaalsContact C-N 3.25Å; S885-N887 PolarHBondContact O-N 2.87Å; N887-E889 VanDerWaalsContact C-N 3.31Å; N887-E889 PolarHBondContact O-N 2.87Å; N887-N890 PolarHBondContact O-N 2.83Å; N887-L891 WeakPolarHBondContact O-CB 3.16Å; N887-L891 VanDerWaalsContact O-CG 3.28Å; N887-L891 WeakPolarHBondContact O-CG 3.32Å; N887-L891 PolarHBondContact O-N 3.41Å |
| 888 | A | 68.8 | Low | 67.5 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.5 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | F828 L884 S885 N892 T897 Y898 V901 | F828-A888 HydrophobicContact CD2-CB 4.48Å; F828-A888 HydrophobicContact CE2-CB 3.98Å; L884-A888 PolarHBondContact O-N 3.36Å; L884-A888 VanDerWaalsContact O-N 3.12Å; S885-A888 PolarHBondContact O-N 2.85Å; S885-A888 VanDerWaalsContact O-N 3.11Å; A888-N892 WeakPolarHBondContact O-CB 3.47Å; A888-N892 PolarHBondContact O-N 2.89Å; A888-T897 PolarHBondContact O-OG1 2.81Å; A888-Y898 HydrophobicContact CB-CD2 3.9Å; A888-V901 HydrophobicContact CB-CB 4.36Å; A888-V901 HydrophobicContact CB-CG1 4.37Å; A888-V901 HydrophobicContact CB-CG2 4.41Å |
| 889 | E | 71.4 | Confident | 67.1 | Low | 83 Ų | 83 | 52.7 Ų | 52.7 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.8 | -40.4 | 178 | -70.3 | 165 | -136 | 0 | 0 | 113.3 | S885 N887 N892 K893 Y898 | S885-E889 WeakPolarHBondContact CB-OE1 3.36Å; S885-E889 WeakPolarHBondContact O-CG 3.18Å; S885-E889 PolarHBondContact O-N 2.82Å; S885-E889 PolarHBondContact OG-OE1 2.8Å; N887-E889 VanDerWaalsContact C-N 3.31Å; N887-E889 PolarHBondContact O-N 2.87Å; E889-N892 VanDerWaalsContact O-CB 3.3Å; E889-N892 WeakPolarHBondContact O-CB 3.11Å; E889-N892 PolarHBondContact O-N 2.93Å; E889-N892 VanDerWaalsContact O-N 3.17Å; E889-K893 PolarHBondContact O-N 2.83Å; E889-Y898 HydrophobicContact CG-CD2 3.58Å; E889-Y898 HydrophobicContact CG-CE2 3.4Å |
| 890 | N | 73.7 | Confident | 66.8 | Low | 56 Ų | 56 | 53.2 Ų | 53.2 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.5 | -36.1 | 175.4 | -76.8 | -43.3 | 0 | 0 | 0 | 111.7 | I824 P886 N887 N892 K893 | I824-N890 HydrophobicContact CD1-CB 4.43Å; I824-N890 HydrophobicContact CG2-CB 3.96Å; P886-N890 VanDerWaalsContact O-CB 3.23Å; P886-N890 WeakPolarHBondContact O-CB 3.43Å; P886-N890 VanDerWaalsContact O-CG 3.27Å; P886-N890 PolarHBondContact O-N 2.92Å; P886-N890 PolarHBondContact O-ND2 3.23Å; N887-N890 PolarHBondContact O-N 2.83Å; N890-N892 VanDerWaalsContact C-N 3.28Å; N890-N892 PolarHBondContact O-N 2.84Å; N890-K893 WeakPolarHBondContact O-CB 3.17Å; N890-K893 PolarHBondContact O-N 3.3Å; N890-K893 PolarHBondContact OD1-NZ 2.84Å |
| 891 | L | 69.3 | Low | 67 | Low | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -31.6 | 167.7 | -68.1 | 174.8 | 0 | 0 | 0 | 112.1 | I729 I824 F825 F828 N887 K893 I894 S895 T897 | I729-L891 HydrophobicContact CD1-CD2 3.87Å; I729-L891 HydrophobicContact CG1-CD2 4.21Å; I824-L891 HydrophobicContact CG2-CD2 3.92Å; I824-L891 HydrophobicContact CG2-CG 3.94Å; F825-L891 HydrophobicContact CB-CD2 4.16Å; F825-L891 HydrophobicContact CD2-CD1 3.97Å; F825-L891 HydrophobicContact CD2-CD2 4.4Å; F828-L891 HydrophobicContact CB-CD1 3.57Å; F828-L891 HydrophobicContact CD1-CD1 3.31Å; F828-L891 HydrophobicContact CD2-CD1 3.97Å; F828-L891 HydrophobicContact CE1-CD1 3.86Å; F828-L891 HydrophobicContact CE2-CD1 4.46Å; F828-L891 HydrophobicContact CG-CD1 3.35Å; F828-L891 HydrophobicContact CZ-CD1 4.4Å; N887-L891 WeakPolarHBondContact O-CB 3.16Å; N887-L891 VanDerWaalsContact O-CG 3.28Å; N887-L891 WeakPolarHBondContact O-CG 3.32Å; N887-L891 PolarHBondContact O-N 3.41Å; L891-K893 PolarHBondContact O-N 2.91Å; L891-K893 VanDerWaalsContact O-N 3.14Å; L891-I894 HydrophobicContact CD2-CD1 4.3Å; L891-I894 CarbonylContact O-C 3.6Å; L891-I894 WeakPolarHBondContact O-CA 3.23Å; L891-I894 WeakPolarHBondContact O-CB 3.44Å; L891-I894 PolarHBondContact O-N 3.38Å; L891-S895 CarbonylContact C-O 3.59Å; L891-S895 PolarHBondContact O-N 2.81Å; L891-T897 VanDerWaalsContact C-OG1 3.24Å; L891-T897 HydrophobicContact CB-CG2 3.85Å; L891-T897 VanDerWaalsContact CB-OG1 3.32Å; L891-T897 WeakPolarHBondContact CB-OG1 3.45Å; L891-T897 HydrophobicContact CD1-CG2 4.28Å |
| 892 | N | 70.3 | Confident | 67.7 | Low | 73 Ų | 73 | 47.8 Ų | 47.8 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -18.9 | 178 | -155.7 | 54.4 | 0 | 0 | 0 | 113.4 | A888 E889 N890 S895 T897 Y898 | A888-N892 WeakPolarHBondContact O-CB 3.47Å; A888-N892 PolarHBondContact O-N 2.89Å; E889-N892 VanDerWaalsContact O-CB 3.3Å; E889-N892 WeakPolarHBondContact O-CB 3.11Å; E889-N892 PolarHBondContact O-N 2.93Å; E889-N892 VanDerWaalsContact O-N 3.17Å; N890-N892 VanDerWaalsContact C-N 3.28Å; N890-N892 PolarHBondContact O-N 2.84Å; N892-S895 VanDerWaalsContact CA-O 3.29Å; N892-S895 WeakPolarHBondContact CA-O 3.36Å; N892-T897 WeakPolarHBondContact CA-OG1 3.22Å; N892-T897 PolarHBondContact N-OG1 2.83Å; N892-T897 VanDerWaalsContact N-OG1 3.08Å; N892-T897 PolarHBondContact OD1-N 2.71Å; N892-Y898 PolarHBondContact OD1-N 3.28Å |
| 893 | K | 67.2 | Low | 68.6 | Low | 161 Ų | 161 | 43.8 Ų | 43.8 | 70% | 0.7 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -10.8 | 170.8 | -58.6 | 169 | -174.9 | 169.7 | 0 | 112.9 | E889 N890 L891 | E889-K893 PolarHBondContact O-N 2.83Å; N890-K893 WeakPolarHBondContact O-CB 3.17Å; N890-K893 PolarHBondContact O-N 3.3Å; N890-K893 PolarHBondContact OD1-NZ 2.84Å; L891-K893 PolarHBondContact O-N 2.91Å; L891-K893 VanDerWaalsContact O-N 3.14Å |
| 894 | I | 62.9 | Low | 68.9 | Low | 62 Ų | 62 | 42.8 Ų | 42.8 | 32% | 0.318 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -44.3 | -172.5 | -57.1 | 160.7 | 0 | 0 | 0 | 110.8 | N821 L891 | N821-I894 HydrophobicContact CB-CD1 4.17Å; N821-I894 VanDerWaalsContact CG-CD1 3.5Å; N821-I894 VanDerWaalsContact OD1-CD1 3.26Å; N821-I894 WeakPolarHBondContact OD1-CD1 3.36Å; L891-I894 HydrophobicContact CD2-CD1 4.3Å; L891-I894 CarbonylContact O-C 3.6Å; L891-I894 WeakPolarHBondContact O-CA 3.23Å; L891-I894 WeakPolarHBondContact O-CB 3.44Å; L891-I894 PolarHBondContact O-N 3.38Å |
| 895 | S | 58.4 | Low | 69.2 | Low | 13 Ų | 13 | 43.7 Ų | 43.7 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -155.1 | 151.5 | -177.4 | -150.7 | 0 | 0 | 0 | 0 | 109 | D726 K730 L891 N892 T897 | D726-S895 WeakPolarHBondContact OD1-CB 3.36Å; D726-S895 PolarHBondContact OD1-OG 3.47Å; K730-S895 WeakPolarHBondContact CE-OG 3.47Å; L891-S895 CarbonylContact C-O 3.59Å; L891-S895 PolarHBondContact O-N 2.81Å; N892-S895 VanDerWaalsContact CA-O 3.29Å; N892-S895 WeakPolarHBondContact CA-O 3.36Å; S895-T897 VanDerWaalsContact C-N 3.3Å; S895-T897 PolarHBondContact O-N 3Å; S895-T897 PolarHBondContact O-OG1 3.5Å |
| 896 | S | 62.7 | Low | 69.5 | Low | 79 Ų | 79 | 48 Ų | 48 | 55% | 0.552 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -76.2 | 67.2 | -165.6 | 61.4 | 0 | 0 | 0 | 0 | 114.8 | Q900 | S896-Q900 PolarHBondContact O-NE2 3.11Å; S896-Q900 PolarHBondContact O-OE1 2.68Å |
| 897 | T | 59.4 | Low | 69.8 | Low | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -85.3 | -40.7 | -173.4 | 36.4 | 0 | 0 | 0 | 0 | 115.6 | I729 C733 A888 L891 N892 S895 P899 Q900 V901 | I729-T897 HydrophobicContact CG2-CG2 3.4Å; C733-T897 WeakPolarHBondContact SG-CG2 3.47Å; A888-T897 PolarHBondContact O-OG1 2.81Å; L891-T897 VanDerWaalsContact C-OG1 3.24Å; L891-T897 HydrophobicContact CB-CG2 3.85Å; L891-T897 VanDerWaalsContact CB-OG1 3.32Å; L891-T897 WeakPolarHBondContact CB-OG1 3.45Å; L891-T897 HydrophobicContact CD1-CG2 4.28Å; N892-T897 WeakPolarHBondContact CA-OG1 3.22Å; N892-T897 PolarHBondContact N-OG1 2.83Å; N892-T897 VanDerWaalsContact N-OG1 3.08Å; N892-T897 PolarHBondContact OD1-N 2.71Å; S895-T897 VanDerWaalsContact C-N 3.3Å; S895-T897 PolarHBondContact O-N 3Å; S895-T897 PolarHBondContact O-OG1 3.5Å; T897-P899 VanDerWaalsContact C-CD 3.41Å; T897-Q900 PolarHBondContact O-N 2.94Å; T897-Q900 PolarHBondContact O-OE1 2.87Å; T897-V901 WeakPolarHBondContact O-CG2 3.42Å | ||
| 898 | Y | 63.2 | Low | 70.2 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59 | -38.4 | -168.9 | -170.6 | -103 | 0 | 0 | 0 | 113.6 | A888 E889 N892 Q900 V901 L902 | A888-Y898 HydrophobicContact CB-CD2 3.9Å; E889-Y898 HydrophobicContact CG-CD2 3.58Å; E889-Y898 HydrophobicContact CG-CE2 3.4Å; N892-Y898 PolarHBondContact OD1-N 3.28Å; Y898-Q900 PolarHBondContact O-N 3.17Å; Y898-V901 PolarHBondContact O-N 3.41Å; Y898-L902 HydrophobicContact CD1-CD1 4.09Å; Y898-L902 HydrophobicContact CE1-CD1 3.44Å; Y898-L902 VanDerWaalsContact CE1-CD1 3.44Å; Y898-L902 PolarHBondContact O-N 2.93Å; Y898-L902 VanDerWaalsContact O-N 3.09Å |
| 899 | P | 67.3 | Low | 70.8 | Confident | 89 Ų | 89 | 49.6 Ų | 49.6 | 58% | 0.578 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.8 | -37.7 | 179 | -25.9 | 36.6 | 0 | 0 | 0 | 114.8 | T897 | T897-P899 VanDerWaalsContact C-CD 3.41Å |
| 900 | Q | 67.4 | Low | 71 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 21% | 0.206 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.5 | -31.2 | -179.7 | -57 | 94.4 | 1.4 | 0 | 0 | 112.3 | C733 N737 S896 T897 Y898 | C733-Q900 HydrophobicContact CB-CG 4.33Å; N737-Q900 HydrophobicContact CB-CB 4.19Å; N737-Q900 HydrophobicContact CB-CG 4.02Å; S896-Q900 PolarHBondContact O-NE2 3.11Å; S896-Q900 PolarHBondContact O-OE1 2.68Å; T897-Q900 PolarHBondContact O-N 2.94Å; T897-Q900 PolarHBondContact O-OE1 2.87Å; Y898-Q900 PolarHBondContact O-N 3.17Å |
| 901 | V | 74.9 | Confident | 71.2 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -81 | -21.8 | -178.5 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | V736 F828 L884 A888 T897 Y898 W903 L904 I905 | V736-V901 HydrophobicContact CG1-CG2 4.4Å; F828-V901 HydrophobicContact CE2-CG1 4.47Å; F828-V901 HydrophobicContact CE2-CG2 3.84Å; F828-V901 HydrophobicContact CZ-CG2 3.62Å; L884-V901 HydrophobicContact CD2-CG1 4.45Å; L884-V901 HydrophobicContact CG-CG1 4.38Å; A888-V901 HydrophobicContact CB-CB 4.36Å; A888-V901 HydrophobicContact CB-CG1 4.37Å; A888-V901 HydrophobicContact CB-CG2 4.41Å; T897-V901 WeakPolarHBondContact O-CG2 3.42Å; Y898-V901 PolarHBondContact O-N 3.41Å; V901-W903 VanDerWaalsContact C-N 3.26Å; V901-W903 PolarHBondContact O-N 2.98Å; V901-W903 VanDerWaalsContact O-N 3.16Å; V901-L904 WeakPolarHBondContact O-CB 3.3Å; V901-L904 PolarHBondContact O-N 2.95Å; V901-I905 HydrophobicContact CG1-CD1 4.05Å; V901-I905 HydrophobicContact CG1-CG1 4.23Å; V901-I905 PolarHBondContact O-N 2.96Å |
| 902 | L | 71.4 | Confident | 71.8 | Confident | 63 Ų | 63 | 47.1 Ų | 47.1 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -51.7 | -41.8 | -175.9 | -162.5 | 84.9 | 0 | 0 | 0 | 113.2 | Y898 L904 I905 Q906 | Y898-L902 HydrophobicContact CD1-CD1 4.09Å; Y898-L902 HydrophobicContact CE1-CD1 3.44Å; Y898-L902 VanDerWaalsContact CE1-CD1 3.44Å; Y898-L902 PolarHBondContact O-N 2.93Å; Y898-L902 VanDerWaalsContact O-N 3.09Å; L902-L904 PolarHBondContact O-N 3.49Å; L902-I905 PolarHBondContact O-N 2.89Å; L902-Q906 WeakPolarHBondContact O-CG 3.4Å; L902-Q906 PolarHBondContact O-N 3.3Å |
| 903 | W | 76 | Confident | 72 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 15% | 0.148 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 178.7 | 171.5 | 78.6 | 0 | 0 | 0 | 112.5 | A740 Y743 K744 V901 I905 Q906 Y907 | A740-W903 HydrophobicContact CB-CB 4.44Å; A740-W903 HydrophobicContact CB-CD2 3.73Å; A740-W903 HydrophobicContact CB-CE3 3.32Å; A740-W903 HydrophobicContact CB-CG 4.19Å; A740-W903 HydrophobicContact CB-CZ3 3.96Å; Y743-W903 AromaticContact CD1-CH2 3.63Å; Y743-W903 HydrophobicContact CD1-CH2 3.63Å; Y743-W903 AromaticContact CD1-CZ2 3.44Å; Y743-W903 HydrophobicContact CD1-CZ2 3.44Å; Y743-W903 VanDerWaalsContact CD1-CZ2 3.44Å; Y743-W903 HydrophobicContact CE1-CH2 4.4Å; Y743-W903 HydrophobicContact CE1-CZ2 4.14Å; Y743-W903 AromaticContact CG-CH2 3.88Å; Y743-W903 HydrophobicContact CG-CH2 3.88Å; Y743-W903 HydrophobicContact CG-CZ2 4.13Å; K744-W903 VanDerWaalsContact CE-CD1 3.45Å; V901-W903 VanDerWaalsContact C-N 3.26Å; V901-W903 PolarHBondContact O-N 2.98Å; V901-W903 VanDerWaalsContact O-N 3.16Å; W903-I905 VanDerWaalsContact C-N 3.34Å; W903-I905 PolarHBondContact O-N 3.43Å; W903-Q906 PolarHBondContact O-N 2.98Å; W903-Y907 HydrophobicContact CH2-CG 4.24Å; W903-Y907 HydrophobicContact CZ2-CD2 4.22Å; W903-Y907 HydrophobicContact CZ2-CG 4.07Å; W903-Y907 WeakPolarHBondContact O-CB 3.35Å; W903-Y907 PolarHBondContact O-N 2.81Å |
| 904 | L | 75.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -39.6 | 179.1 | 179.8 | 61.2 | 0 | 0 | 0 | 110.9 | L832 A835 I839 L884 V901 L902 Y907 L908 | L832-L904 HydrophobicContact CD2-CD2 3.79Å; A835-L904 HydrophobicContact CB-CD2 4.03Å; I839-L904 HydrophobicContact CD1-CD1 4.29Å; L884-L904 HydrophobicContact CD2-CD2 4.4Å; V901-L904 WeakPolarHBondContact O-CB 3.3Å; V901-L904 PolarHBondContact O-N 2.95Å; L902-L904 PolarHBondContact O-N 3.49Å; L904-Y907 PolarHBondContact O-N 2.97Å; L904-L908 HydrophobicContact CD1-CD1 4.2Å; L904-L908 HydrophobicContact CD1-CG 4.26Å; L904-L908 HydrophobicContact CG-CD1 4.19Å; L904-L908 WeakPolarHBondContact O-CB 3.23Å; L904-L908 VanDerWaalsContact O-CG 3.32Å; L904-L908 WeakPolarHBondContact O-CG 3.25Å; L904-L908 PolarHBondContact O-N 3.35Å |
| 905 | I | 79.6 | Confident | 72.6 | Confident | 20 Ų | 20 | 41.2 Ų | 41.2 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -43.2 | 174.3 | -64 | 169.6 | 0 | 0 | 0 | 110.4 | L884 V901 L902 W903 N909 | L884-I905 HydrophobicContact CD2-CG1 4.1Å; V901-I905 HydrophobicContact CG1-CD1 4.05Å; V901-I905 HydrophobicContact CG1-CG1 4.23Å; V901-I905 PolarHBondContact O-N 2.96Å; L902-I905 PolarHBondContact O-N 2.89Å; W903-I905 VanDerWaalsContact C-N 3.34Å; W903-I905 PolarHBondContact O-N 3.43Å; I905-N909 WeakPolarHBondContact O-CB 3.47Å; I905-N909 PolarHBondContact O-N 3.12Å; I905-N909 PolarHBondContact O-ND2 2.92Å |
| 906 | Q | 75.6 | Confident | 73.4 | Confident | 114 Ų | 114 | 44.1 Ų | 44.1 | 53% | 0.533 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 175.5 | -73.3 | 171.8 | -10.9 | 0 | 0 | 112.3 | L902 W903 N909 S910 | L902-Q906 WeakPolarHBondContact O-CG 3.4Å; L902-Q906 PolarHBondContact O-N 3.3Å; W903-Q906 PolarHBondContact O-N 2.98Å; Q906-N909 PolarHBondContact O-N 3.21Å; Q906-S910 WeakPolarHBondContact O-CB 3.44Å; Q906-S910 PolarHBondContact O-N 2.77Å |
| 907 | Y | 78.2 | Confident | 73.7 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 177.5 | 173.5 | -102.7 | 0 | 0 | 0 | 111.6 | Y743 I839 L842 W903 L904 N909 S910 Q911 | Y743-Y907 HydrophobicContact CE1-CD2 4.03Å; Y743-Y907 AromaticContact CE1-CE2 3.6Å; Y743-Y907 HydrophobicContact CE1-CE2 3.6Å; Y743-Y907 AromaticContact CZ-CE2 3.84Å; Y743-Y907 AromaticContact CZ-CZ 3.94Å; Y743-Y907 PolarHBondContact OH-OH 2.81Å; Y743-Y907 VanDerWaalsContact OH-OH 3.13Å; I839-Y907 HydrophobicContact CD1-CE1 4.49Å; I839-Y907 HydrophobicContact CG1-CE1 4.46Å; I839-Y907 HydrophobicContact CG2-CE1 4.33Å; L842-Y907 HydrophobicContact CD1-CE1 4.4Å; W903-Y907 HydrophobicContact CH2-CG 4.24Å; W903-Y907 HydrophobicContact CZ2-CD2 4.22Å; W903-Y907 HydrophobicContact CZ2-CG 4.07Å; W903-Y907 WeakPolarHBondContact O-CB 3.35Å; W903-Y907 PolarHBondContact O-N 2.81Å; L904-Y907 PolarHBondContact O-N 2.97Å; Y907-N909 PolarHBondContact O-N 2.6Å; Y907-S910 WeakPolarHBondContact O-CB 3.48Å; Y907-S910 PolarHBondContact O-N 2.75Å; Y907-Q911 HydrophobicContact CD1-CG 4.29Å; Y907-Q911 HydrophobicContact CD2-CG 4.31Å; Y907-Q911 HydrophobicContact CE1-CG 3.8Å; Y907-Q911 HydrophobicContact CE2-CG 3.82Å; Y907-Q911 VanDerWaalsContact O-CG 3.32Å; Y907-Q911 WeakPolarHBondContact O-CG 3.36Å; Y907-Q911 PolarHBondContact O-N 3.02Å; Y907-Q911 PolarHBondContact O-NE2 2.93Å |
| 908 | L | 80.6 | Confident | 73.9 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -38.5 | 179.8 | -68.8 | 172.7 | 0 | 0 | 0 | 112.3 | A835 L842 I875 I878 I879 L904 Q911 L912 | A835-L908 HydrophobicContact CB-CD1 4.1Å; L842-L908 HydrophobicContact CD1-CD2 4.17Å; I875-L908 HydrophobicContact CG2-CB 4.23Å; I878-L908 HydrophobicContact CG2-CD1 4.47Å; I879-L908 HydrophobicContact CD1-CB 3.83Å; I879-L908 HydrophobicContact CG1-CB 4.23Å; L904-L908 HydrophobicContact CD1-CD1 4.2Å; L904-L908 HydrophobicContact CD1-CG 4.26Å; L904-L908 HydrophobicContact CG-CD1 4.19Å; L904-L908 WeakPolarHBondContact O-CB 3.23Å; L904-L908 VanDerWaalsContact O-CG 3.32Å; L904-L908 WeakPolarHBondContact O-CG 3.25Å; L904-L908 PolarHBondContact O-N 3.35Å; L908-Q911 PolarHBondContact O-N 2.98Å; L908-L912 WeakPolarHBondContact O-CB 3.27Å; L908-L912 PolarHBondContact O-N 2.89Å |
| 909 | N | 80.6 | Confident | 74 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 32% | 0.316 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.6 | -42 | 171.9 | -82.4 | -72.6 | 0 | 0 | 0 | 112.1 | I905 Q906 Y907 Q911 L912 N913 | I905-N909 WeakPolarHBondContact O-CB 3.47Å; I905-N909 PolarHBondContact O-N 3.12Å; I905-N909 PolarHBondContact O-ND2 2.92Å; Q906-N909 PolarHBondContact O-N 3.21Å; Y907-N909 PolarHBondContact O-N 2.6Å; N909-Q911 VanDerWaalsContact C-N 3.29Å; N909-Q911 PolarHBondContact O-N 2.73Å; N909-L912 PolarHBondContact O-N 3.25Å; N909-N913 PolarHBondContact O-N 3.16Å |
| 910 | S | 76.3 | Confident | 73.8 | Confident | 68 Ų | 68 | 46 Ų | 46 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 173.8 | 167.3 | 0 | 0 | 0 | 0 | 111.9 | Q906 Y907 L914 | Q906-S910 WeakPolarHBondContact O-CB 3.44Å; Q906-S910 PolarHBondContact O-N 2.77Å; Y907-S910 WeakPolarHBondContact O-CB 3.48Å; Y907-S910 PolarHBondContact O-N 2.75Å; S910-L914 PolarHBondContact O-N 2.89Å; S910-L914 VanDerWaalsContact O-N 3.14Å |
| 911 | Q | 78.1 | Confident | 73.5 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.047 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.6 | -35 | 177.1 | -60.9 | -29.7 | -79.4 | 0 | 0 | 112.6 | L842 Y907 L908 N909 N913 L914 I915 | L842-Q911 HydrophobicContact CD1-CB 3.98Å; L842-Q911 HydrophobicContact CD1-CG 3.92Å; L842-Q911 HydrophobicContact CD2-CB 3.63Å; L842-Q911 HydrophobicContact CD2-CG 4.06Å; L842-Q911 HydrophobicContact CG-CB 4.47Å; Y907-Q911 HydrophobicContact CD1-CG 4.29Å; Y907-Q911 HydrophobicContact CD2-CG 4.31Å; Y907-Q911 HydrophobicContact CE1-CG 3.8Å; Y907-Q911 HydrophobicContact CE2-CG 3.82Å; Y907-Q911 VanDerWaalsContact O-CG 3.32Å; Y907-Q911 WeakPolarHBondContact O-CG 3.36Å; Y907-Q911 PolarHBondContact O-N 3.02Å; Y907-Q911 PolarHBondContact O-NE2 2.93Å; L908-Q911 PolarHBondContact O-N 2.98Å; N909-Q911 VanDerWaalsContact C-N 3.29Å; N909-Q911 PolarHBondContact O-N 2.73Å; Q911-N913 VanDerWaalsContact C-N 3.35Å; Q911-L914 PolarHBondContact O-N 3.04Å; Q911-I915 WeakPolarHBondContact O-CG1 3.25Å; Q911-I915 PolarHBondContact O-N 3.31Å |
| 912 | L | 81.9 | Confident | 72.7 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 174.8 | -175.9 | 63.1 | 0 | 0 | 0 | 111.7 | E872 I875 I879 L908 N909 I915 K916 | E872-L912 HydrophobicContact CB-CD1 4.3Å; E872-L912 HydrophobicContact CG-CD1 3.6Å; I875-L912 HydrophobicContact CB-CD1 4.34Å; I875-L912 HydrophobicContact CG2-CB 4Å; I875-L912 HydrophobicContact CG2-CD1 4.23Å; I875-L912 HydrophobicContact CG2-CG 4.5Å; I879-L912 HydrophobicContact CD1-CD2 4.44Å; L908-L912 WeakPolarHBondContact O-CB 3.27Å; L908-L912 PolarHBondContact O-N 2.89Å; N909-L912 PolarHBondContact O-N 3.25Å; L912-I915 PolarHBondContact O-N 3.01Å; L912-K916 WeakPolarHBondContact O-CG 3.14Å; L912-K916 PolarHBondContact O-N 3.05Å; L912-K916 VanDerWaalsContact O-N 3.15Å |
| 913 | N | 74.2 | Confident | 72 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 47% | 0.471 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 174.8 | -69.3 | -0.9 | 0 | 0 | 0 | 111.3 | N909 Q911 I915 K916 E917 | N909-N913 PolarHBondContact O-N 3.16Å; Q911-N913 VanDerWaalsContact C-N 3.35Å; N913-I915 VanDerWaalsContact C-N 3.27Å; N913-I915 PolarHBondContact O-N 2.84Å; N913-K916 WeakPolarHBondContact O-CB 3.28Å; N913-K916 PolarHBondContact O-N 2.81Å; N913-K916 VanDerWaalsContact O-N 3.08Å; N913-E917 WeakPolarHBondContact O-CG 3.38Å; N913-E917 PolarHBondContact O-N 3.14Å |
| 914 | L | 70.7 | Confident | 70.9 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 41% | 0.414 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.7 | -35.9 | 178 | -163.5 | 79.5 | 0 | 0 | 0 | 112.4 | S910 Q911 S918 | S910-L914 PolarHBondContact O-N 2.89Å; S910-L914 VanDerWaalsContact O-N 3.14Å; Q911-L914 PolarHBondContact O-N 3.04Å; L914-S918 WeakPolarHBondContact O-CB 3.41Å; L914-S918 PolarHBondContact O-N 2.7Å; L914-S918 PolarHBondContact O-OG 2.79Å |
| 915 | I | 72.8 | Confident | 69.6 | Low | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 173.3 | -74.5 | 161.1 | 0 | 0 | 0 | 110.4 | L842 Y845 L871 E872 I875 Q911 L912 N913 S918 Q919 | L842-I915 HydrophobicContact CD2-CD1 3.67Å; L842-I915 HydrophobicContact CD2-CG1 4.46Å; Y845-I915 HydrophobicContact CD1-CG1 4.09Å; Y845-I915 HydrophobicContact CE1-CG1 3.98Å; L871-I915 HydrophobicContact CB-CD1 4.16Å; L871-I915 HydrophobicContact CD2-CD1 4Å; E872-I915 HydrophobicContact CB-CG2 4.12Å; I875-I915 HydrophobicContact CD1-CD1 3.49Å; I875-I915 VanDerWaalsContact CD1-CD1 3.49Å; Q911-I915 WeakPolarHBondContact O-CG1 3.25Å; Q911-I915 PolarHBondContact O-N 3.31Å; L912-I915 PolarHBondContact O-N 3.01Å; N913-I915 VanDerWaalsContact C-N 3.27Å; N913-I915 PolarHBondContact O-N 2.84Å; I915-S918 WeakPolarHBondContact CA-OG 3.41Å; I915-S918 PolarHBondContact O-N 3.29Å; I915-S918 PolarHBondContact O-OG 2.91Å; I915-Q919 HydrophobicContact CG2-CG 4.49Å; I915-Q919 WeakPolarHBondContact O-CG 3.09Å; I915-Q919 PolarHBondContact O-N 2.83Å |
| 916 | K | 74.2 | Confident | 68.1 | Low | 74 Ų | 74 | 60.9 Ų | 60.9 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 178.2 | -72.1 | 172.5 | 173.2 | -177.4 | 0 | 112.4 | E872 L912 N913 S918 Q919 E920 | E872-K916 WeakPolarHBondContact OE1-CE 3.27Å; E872-K916 IonicContact OE1-NZ 2.66Å; L912-K916 WeakPolarHBondContact O-CG 3.14Å; L912-K916 PolarHBondContact O-N 3.05Å; L912-K916 VanDerWaalsContact O-N 3.15Å; N913-K916 WeakPolarHBondContact O-CB 3.28Å; N913-K916 PolarHBondContact O-N 2.81Å; N913-K916 VanDerWaalsContact O-N 3.08Å; K916-S918 VanDerWaalsContact C-N 3.28Å; K916-S918 PolarHBondContact O-N 2.76Å; K916-Q919 PolarHBondContact O-N 3.16Å; K916-Q919 VanDerWaalsContact O-N 3.09Å; K916-E920 WeakPolarHBondContact O-CG 3.19Å; K916-E920 PolarHBondContact O-N 2.56Å |
| 917 | E | 68.9 | Low | 66.7 | Low | 111 Ų | 111 | 60.5 Ų | 60.5 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.2 | -45.2 | 173.6 | -69.6 | 163.2 | -168.1 | 0 | 0 | 110.9 | N913 Q919 E920 E921 | N913-E917 WeakPolarHBondContact O-CG 3.38Å; N913-E917 PolarHBondContact O-N 3.14Å; E917-Q919 VanDerWaalsContact C-N 3.34Å; E917-Q919 PolarHBondContact O-N 3.22Å; E917-E920 PolarHBondContact O-N 2.82Å; E917-E921 PolarHBondContact O-N 2.88Å |
| 918 | S | 64.4 | Low | 65 | Low | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.4 | -27.6 | 178.6 | 76 | 0 | 0 | 0 | 0 | 114.4 | Y845 Y849 L914 I915 K916 L922 | Y845-S918 PolarHBondContact OH-OG 2.99Å; Y849-S918 VanDerWaalsContact CE2-CB 3.47Å; Y849-S918 WeakPolarHBondContact CE2-O 3.41Å; Y849-S918 VanDerWaalsContact CZ-CB 3.45Å; L914-S918 WeakPolarHBondContact O-CB 3.41Å; L914-S918 PolarHBondContact O-N 2.7Å; L914-S918 PolarHBondContact O-OG 2.79Å; I915-S918 WeakPolarHBondContact CA-OG 3.41Å; I915-S918 PolarHBondContact O-N 3.29Å; I915-S918 PolarHBondContact O-OG 2.91Å; K916-S918 VanDerWaalsContact C-N 3.28Å; K916-S918 PolarHBondContact O-N 2.76Å; S918-L922 VanDerWaalsContact O-CB 3.27Å; S918-L922 WeakPolarHBondContact O-CB 3.27Å; S918-L922 PolarHBondContact O-N 2.83Å; S918-L922 VanDerWaalsContact O-N 3.15Å |
| 919 | Q | 65.2 | Low | 63 | Low | 25 Ų | 25 | 71.2 Ų | 71.2 | 12% | 0.117 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -77.6 | -42.7 | 173.6 | -73.1 | 179.8 | -96.2 | 0 | 0 | 111.1 | H869 I915 K916 E917 L922 D923 | H869-Q919 PolarHBondContact CE1-NE2 2.84Å; H869-Q919 PolarHBondContact ND1-NE2 3.22Å; H869-Q919 PolarHBondContact NE2-NE2 2.82Å; I915-Q919 HydrophobicContact CG2-CG 4.49Å; I915-Q919 WeakPolarHBondContact O-CG 3.09Å; I915-Q919 PolarHBondContact O-N 2.83Å; K916-Q919 PolarHBondContact O-N 3.16Å; K916-Q919 VanDerWaalsContact O-N 3.09Å; E917-Q919 VanDerWaalsContact C-N 3.34Å; E917-Q919 PolarHBondContact O-N 3.22Å; Q919-L922 PolarHBondContact O-N 2.9Å; Q919-D923 WeakPolarHBondContact O-CB 3.48Å; Q919-D923 PolarHBondContact O-N 3.09Å |
| 920 | E | 63.7 | Low | 61 | Low | 138 Ų | 138 | 78 Ų | 78 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 174.8 | -71.2 | 178.6 | -164.2 | 0 | 0 | 111.6 | K916 E917 M924 | K916-E920 WeakPolarHBondContact O-CG 3.19Å; K916-E920 PolarHBondContact O-N 2.56Å; E917-E920 PolarHBondContact O-N 2.82Å; E920-M924 VanDerWaalsContact O-CB 3.31Å; E920-M924 WeakPolarHBondContact O-CB 3.33Å; E920-M924 WeakPolarHBondContact O-CG 3.28Å; E920-M924 PolarHBondContact O-N 2.95Å |
| 921 | E | 60.6 | Low | 59 | Low | 96 Ų | 96 | 79.7 Ų | 79.7 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 171.8 | -76.9 | -164.3 | 161.1 | 0 | 0 | 112.2 | Y849 E917 M924 L925 | Y849-E921 PolarHBondContact OH-OE2 3.36Å; E917-E921 PolarHBondContact O-N 2.88Å; E921-M924 PolarHBondContact O-N 2.96Å; E921-L925 WeakPolarHBondContact O-CB 3.33Å; E921-L925 WeakPolarHBondContact O-CG 3.39Å; E921-L925 PolarHBondContact O-N 3.32Å |
| 922 | L | 57.9 | Low | 56.5 | Low | 40 Ų | 40 | 83 Ų | 83 | 21% | 0.209 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.6 | -41.3 | -179.3 | -173.5 | 66.8 | 0 | 0 | 0 | 112.2 | S918 Q919 L925 M926 | S918-L922 VanDerWaalsContact O-CB 3.27Å; S918-L922 WeakPolarHBondContact O-CB 3.27Å; S918-L922 PolarHBondContact O-N 2.83Å; S918-L922 VanDerWaalsContact O-N 3.15Å; Q919-L922 PolarHBondContact O-N 2.9Å; L922-L925 PolarHBondContact O-N 3.33Å; L922-M926 WeakPolarHBondContact O-CB 3.29Å; L922-M926 WeakPolarHBondContact O-CG 3.38Å; L922-M926 PolarHBondContact O-N 2.77Å |
| 923 | D | 57.2 | Low | 53.9 | Low | 101 Ų | 101 | 87.4 Ų | 87.4 | 54% | 0.54 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 175.6 | -84.6 | -18.8 | 0 | 0 | 0 | 111.4 | Q919 M926 L927 | Q919-D923 WeakPolarHBondContact O-CB 3.48Å; Q919-D923 PolarHBondContact O-N 3.09Å; D923-M926 PolarHBondContact O-N 2.79Å; D923-L927 WeakPolarHBondContact O-CB 3.45Å; D923-L927 PolarHBondContact O-N 2.93Å |
| 924 | M | 52.8 | Low | 51.6 | Low | 108 Ų | 108 | 89.8 Ų | 89.8 | 53% | 0.532 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 170.3 | -83.2 | -66.2 | -62.7 | 0 | 0 | 112.4 | E920 E921 L927 N928 | E920-M924 VanDerWaalsContact O-CB 3.31Å; E920-M924 WeakPolarHBondContact O-CB 3.33Å; E920-M924 WeakPolarHBondContact O-CG 3.28Å; E920-M924 PolarHBondContact O-N 2.95Å; E921-M924 PolarHBondContact O-N 2.96Å; M924-L927 PolarHBondContact O-N 3.13Å; M924-N928 WeakPolarHBondContact O-CB 3.49Å; M924-N928 PolarHBondContact O-N 2.69Å; M924-N928 PolarHBondContact O-ND2 2.96Å; M924-N928 VanDerWaalsContact O-ND2 3.14Å |
| 925 | L | 47.8 | Very low | 49.7 | Very low | 60 Ų | 60 | 90.8 Ų | 90.8 | 31% | 0.314 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 173.7 | -77.9 | 164 | 0 | 0 | 0 | 111.7 | E921 L922 N928 M929 | E921-L925 WeakPolarHBondContact O-CB 3.33Å; E921-L925 WeakPolarHBondContact O-CG 3.39Å; E921-L925 PolarHBondContact O-N 3.32Å; L922-L925 PolarHBondContact O-N 3.33Å; L925-N928 PolarHBondContact O-N 2.93Å; L925-M929 WeakPolarHBondContact O-CG 3.36Å; L925-M929 PolarHBondContact O-N 2.66Å |
| 926 | M | 48.7 | Very low | 47.6 | Very low | 75 Ų | 75 | 96.9 Ų | 96.9 | 37% | 0.369 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.4 | -30.5 | 177.9 | -71.3 | -68.8 | -69.5 | 0 | 0 | 113.2 | L922 D923 M929 R930 | L922-M926 WeakPolarHBondContact O-CB 3.29Å; L922-M926 WeakPolarHBondContact O-CG 3.38Å; L922-M926 PolarHBondContact O-N 2.77Å; D923-M926 PolarHBondContact O-N 2.79Å; M926-M929 HydrophobicContact SD-CE 3.47Å; M926-M929 WeakPolarHBondContact SD-CE 3.28Å; M926-R930 WeakPolarHBondContact O-CD 3.48Å; M926-R930 VanDerWaalsContact O-CG 3.29Å; M926-R930 WeakPolarHBondContact O-CG 3.44Å; M926-R930 PolarHBondContact O-N 3.44Å |
| 927 | L | 47 | Very low | 45.7 | Very low | 106 Ų | 106 | 98.8 Ų | 98.8 | 56% | 0.555 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67 | -50.1 | 168.7 | -100.6 | 144 | 0 | 0 | 0 | 110.9 | D923 M924 M929 R930 V931 | D923-L927 WeakPolarHBondContact O-CB 3.45Å; D923-L927 PolarHBondContact O-N 2.93Å; M924-L927 PolarHBondContact O-N 3.13Å; L927-M929 VanDerWaalsContact C-N 3.3Å; L927-M929 PolarHBondContact O-N 3.04Å; L927-R930 PolarHBondContact O-N 2.85Å; L927-V931 PolarHBondContact O-N 2.77Å |
| 928 | N | 41.8 | Very low | 44.1 | Very low | 105 Ų | 105 | 96.9 Ų | 96.9 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.5 | -37.7 | 178.9 | -71.3 | -28.6 | 0 | 0 | 0 | 112.1 | M924 L925 R930 V931 | M924-N928 WeakPolarHBondContact O-CB 3.49Å; M924-N928 PolarHBondContact O-N 2.69Å; M924-N928 PolarHBondContact O-ND2 2.96Å; M924-N928 VanDerWaalsContact O-ND2 3.14Å; L925-N928 PolarHBondContact O-N 2.93Å; N928-R930 PolarHBondContact O-N 2.99Å; N928-V931 PolarHBondContact O-N 3.38Å |
| 929 | M | 38.8 | Very low | 42.6 | Very low | 133 Ų | 133 | 101.2 Ų | 101.2 | 66% | 0.655 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -11.9 | 174 | -72.9 | -164.3 | -62.2 | 0 | 0 | 114.7 | L925 M926 L927 | L925-M929 WeakPolarHBondContact O-CG 3.36Å; L925-M929 PolarHBondContact O-N 2.66Å; M926-M929 HydrophobicContact SD-CE 3.47Å; M926-M929 WeakPolarHBondContact SD-CE 3.28Å; L927-M929 VanDerWaalsContact C-N 3.3Å; L927-M929 PolarHBondContact O-N 3.04Å |
| 930 | R | 39 | Very low | 41.2 | Very low | 201 Ų | 201 | 101.5 Ų | 101.5 | 76% | 0.758 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -6.6 | 178.5 | -75.5 | 173.6 | 177.1 | 176.5 | 1.8 | 113.9 | M926 L927 N928 | M926-R930 WeakPolarHBondContact O-CD 3.48Å; M926-R930 VanDerWaalsContact O-CG 3.29Å; M926-R930 WeakPolarHBondContact O-CG 3.44Å; M926-R930 PolarHBondContact O-N 3.44Å; L927-R930 PolarHBondContact O-N 2.85Å; N928-R930 PolarHBondContact O-N 2.99Å |
| 931 | V | 33.2 | Very low | 39.7 | Very low | 105 Ų | 105 | 99 Ų | 99 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -113.5 | 102.3 | -173.5 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | L927 N928 | L927-V931 PolarHBondContact O-N 2.77Å; N928-V931 PolarHBondContact O-N 3.38Å |
| 932 | A | 26 | Very low | 38.3 | Very low | 80 Ų | 80 | 100.1 Ų | 100.1 | 66% | 0.661 | 56% | 0.558 | S | S | * | * | trans | 51.2 | 109 | 149.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 933 | S | 27.3 | Very low | 37 | Very low | 100 Ų | 100 | 103 Ų | 103 | 70% | 0.699 | 58% | 0.577 | S | S | * | * | trans | 62.4 | 119.6 | 134.9 | 58.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 934 | T | 26.3 | Very low | 35.7 | Very low | 138 Ų | 138 | 102.1 Ų | 102.1 | 85% | 0.847 | 58% | 0.576 | S | S | * | * | trans | 62.3 | 66 | 140.6 | 57.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 935 | S | 29.8 | Very low | 34.6 | Very low | 100 Ų | 100 | 103.3 Ų | 103.3 | 70% | 0.699 | 58% | 0.578 | S | S | * | * | trans | 178.1 | 155 | 132.5 | 42.2 | 0 | 0 | 0 | 0 | 111.1 | V937 | S935-V937 PolarHBondContact O-N 2.85Š| ||
| 936 | P | 30.2 | Very low | 33.6 | Very low | 133 Ų | 133 | 104.5 Ų | 104.5 | 86% | 0.864 | 59% | 0.591 | S | S | * | * | trans | -80.5 | 114.6 | 175 | 31.3 | -31.9 | 0 | 0 | 0 | 110.9 | ||||
| 937 | V | 32.4 | Very low | 32.6 | Very low | 113 Ų | 113 | 111.5 Ų | 111.5 | 69% | 0.685 | 61% | 0.614 | S | S | * | * | trans | -90.4 | 125.5 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | S935 L939 | S935-V937 PolarHBondContact O-N 2.85Å; V937-L939 PolarHBondContact O-N 3Å; V937-L939 VanDerWaalsContact O-N 3.13Å | ||
| 938 | D | 35.9 | Very low | 31.6 | Very low | 72 Ų | 72 | 113 Ų | 113 | 39% | 0.385 | 62% | 0.622 | S | S | . | * | trans | -77.1 | 95.8 | 176.2 | -174 | 0.1 | 0 | 0 | 0 | 111.1 | S3 S940 | S3-D938 PolarHBondContact OG-OD2 3.12Å; D938-S940 PolarHBondContact O-N 3.14Å; D938-S940 VanDerWaalsContact O-N 3.1Å; D938-S940 VanDerWaalsContact OD1-CB 3.24Å; D938-S940 WeakPolarHBondContact OD1-CB 3.45Å; D938-S940 PolarHBondContact OD1-N 3.24Å; D938-S940 VanDerWaalsContact OD1-N 3.08Å; D938-S940 PolarHBondContact OD1-OG 3.33Å; D938-S940 PolarHBondContact OD2-OG 3.29Å | ||
| 939 | L | 33.2 | Very low | 30.8 | Very low | 96 Ų | 96 | 114.7 Ų | 114.7 | 50% | 0.503 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -63.5 | -11.5 | 179.6 | -71.2 | 170.5 | 0 | 0 | 0 | 114.2 | V937 E941 L942 | V937-L939 PolarHBondContact O-N 3Å; V937-L939 VanDerWaalsContact O-N 3.13Å; L939-E941 PolarHBondContact O-N 3.11Å; L939-L942 PolarHBondContact O-N 2.98Å |
| 940 | S | 35.7 | Very low | 30.2 | Very low | 32 Ų | 32 | 115.8 Ų | 115.8 | 22% | 0.224 | 64% | 0.638 | C | S | . | * | G | 310 helix | trans | -73 | 8.2 | -177.4 | 72.3 | 0 | 0 | 0 | 0 | 114.7 | M1 N2 D938 | M1-S940 PolarHBondContact N-O 2.85Å; M1-S940 PolarHBondContact N-OG 3.13Å; N2-S940 WeakPolarHBondContact CB-OG 3.46Å; N2-S940 PolarHBondContact ND2-OG 2.83Å; D938-S940 PolarHBondContact O-N 3.14Å; D938-S940 VanDerWaalsContact O-N 3.1Å; D938-S940 VanDerWaalsContact OD1-CB 3.24Å; D938-S940 WeakPolarHBondContact OD1-CB 3.45Å; D938-S940 PolarHBondContact OD1-N 3.24Å; D938-S940 VanDerWaalsContact OD1-N 3.08Å; D938-S940 PolarHBondContact OD1-OG 3.33Å; D938-S940 PolarHBondContact OD2-OG 3.29Å |
| 941 | E | 32.7 | Very low | 29.6 | Very low | 84 Ų | 84 | 112.9 Ų | 112.9 | 39% | 0.393 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -111.4 | -3.7 | 173.6 | -132.5 | -144 | 140.6 | 0 | 0 | 115 | M1 L939 K945 | M1-E941 HydrophobicContact CE-CG 4.07Å; M1-E941 HydrophobicContact CG-CG 4.35Å; L939-E941 PolarHBondContact O-N 3.11Å; E941-K945 WeakPolarHBondContact O-CD 3.37Å; E941-K945 WeakPolarHBondContact O-CE 3.28Å; E941-K945 PolarHBondContact O-NZ 3.26Å; E941-K945 WeakPolarHBondContact OE1-CE 3.39Å; E941-K945 IonicContact OE1-NZ 2.79Å; E941-K945 PolarHBondContact OE1-NZ 2.91Å; E941-K945 IonicContact OE2-NZ 3.14Å |
| 942 | L | 30.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 63% | 0.634 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -44.7 | 171 | -99.1 | 76.8 | 0 | 0 | 0 | 111.9 | L939 T944 K945 | L939-L942 PolarHBondContact O-N 2.98Å; L942-T944 PolarHBondContact O-N 3.35Å; L942-K945 PolarHBondContact O-N 3.45Å |
| 943 | V | 31.3 | Very low | 29.3 | Very low | 100 Ų | 100 | 117 Ų | 117 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -16.5 | -172.3 | -175.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 944 | T | 30.2 | Very low | 29.1 | Very low | 83 Ų | 83 | 121.5 Ų | 121.5 | 51% | 0.509 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -5.5 | 176.7 | 50 | 0 | 0 | 0 | 0 | 114.5 | L942 | L942-T944 PolarHBondContact O-N 3.35Š|
| 945 | K | 28.2 | Very low | 29 | Very low | 133 Ų | 133 | 126 Ų | 126 | 58% | 0.578 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -11.3 | -171 | -69.7 | 173.5 | -174.6 | 158.6 | 0 | 115.5 | E941 L942 | E941-K945 WeakPolarHBondContact O-CD 3.37Å; E941-K945 WeakPolarHBondContact O-CE 3.28Å; E941-K945 PolarHBondContact O-NZ 3.26Å; E941-K945 WeakPolarHBondContact OE1-CE 3.39Å; E941-K945 IonicContact OE1-NZ 2.79Å; E941-K945 PolarHBondContact OE1-NZ 2.91Å; E941-K945 IonicContact OE2-NZ 3.14Å; L942-K945 PolarHBondContact O-N 3.45Å |
| 946 | S | 27.6 | Very low | 28.8 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 59% | 0.594 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -88.1 | -10.8 | 178.6 | 53.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 947 | R | 28 | Very low | 28.6 | Very low | 222 Ų | 222 | 129 Ų | 129 | 84% | 0.838 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -89.8 | 1.5 | -174.4 | -107.8 | 176.3 | 175.2 | 167.1 | -3 | 116.4 | ||
| 948 | N | 25.3 | Very low | 28.4 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -134 | 63.9 | -171.8 | -75.3 | -43.8 | 0 | 0 | 0 | 113.3 | ||
| 949 | N | 25 | Very low | 27.9 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | trans | -175.7 | 108.7 | 168.1 | -95.4 | -34.4 | 0 | 0 | 0 | 105 | ||||
| 950 | I | 27.6 | Very low | 27.6 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 80% | 0.795 | 68% | 0.683 | S | S | * | * | -175.3 | 106.1 | 70.1 | -94.2 | 153.5 | 0 | 0 | 0 | 104 | |||||
| 951 | N | 24.9 | Very low | 27.1 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | 21.5 | 127 | 95.6 | -69.8 | -12.7 | 0 | 0 | 0 | 113 | |||||
| 952 | D | 26.3 | Very low | 26.9 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | 172.1 | 163.4 | 55.9 | -140.6 | -5.6 | 0 | 0 | 0 | 105 | |||||
| 953 | Q | 26.1 | Very low | 26.6 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | cis | -150.4 | 167.4 | 25.9 | -63.2 | -172.1 | -19.3 | 0 | 0 | 113.1 | ||||
| 954 | R | 24.1 | Very low | 26.3 | Very low | 195 Ų | 195 | 152.5 Ų | 152.5 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 84.9 | 49.5 | 156.1 | -44.4 | -165.9 | -173.5 | -176.4 | 3.1 | 118.1 | ||||
| 955 | Y | 24.1 | Very low | 26 | Very low | 233 Ų | 233 | 153.4 Ų | 153.4 | 91% | 0.914 | 74% | 0.738 | S | S | * | * | -94.2 | 120.5 | 106.8 | -112.6 | -98.1 | 0 | 0 | 0 | 108.4 | |||||
| 956 | N | 25.3 | Very low | 25.8 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -99.9 | 97.4 | -178.5 | -138.4 | -16.3 | 0 | 0 | 0 | 106.6 | ||||
| 957 | D | 26.2 | Very low | 25.5 | Very low | 149 Ų | 149 | 153.7 Ų | 153.7 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -110.5 | 121 | 174.2 | -145 | -20.5 | 0 | 0 | 0 | 111.3 | K959 | D957-K959 PolarHBondContact O-N 3.36Š| ||
| 958 | K | 28.3 | Very low | 25.6 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | trans | -86.8 | 101.9 | -176.1 | -94.7 | -173 | 178.9 | 176.9 | 0 | 109.6 | ||||
| 959 | K | 26.2 | Very low | 25.5 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | 36.3 | 97 | 142.5 | -74.7 | -173 | 174.1 | -178.7 | 0 | 115.8 | D957 | D957-K959 PolarHBondContact O-N 3.36Š| ||
| 960 | S | 26.2 | Very low | 25.4 | Very low | 99 Ų | 99 | 151.6 Ų | 151.6 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | 101.5 | 147 | 101.9 | 78.6 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 961 | R | 25.6 | Very low | 25.3 | Very low | 217 Ų | 217 | 148.6 Ų | 148.6 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | trans | 80.7 | 122.1 | 143.7 | -86.2 | -176.9 | 161.2 | -164.1 | -4.8 | 118.9 | ||||
| 962 | I | 27 | Very low | 25.2 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 60% | 0.595 | 75% | 0.753 | S | S | * | * | 91.9 | 91.2 | 129.3 | -70.6 | 171 | 0 | 0 | 0 | 116.4 | |||||
| 963 | Q | 24.5 | Very low | 25.2 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | 82.5 | 153.9 | 122.1 | -73.7 | -177 | -31.5 | 0 | 0 | 121.5 | |||||
| 964 | H | 26.3 | Very low | 25.2 | Very low | 147 Ų | 147 | 148 Ų | 148 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | trans | 64.5 | 87.9 | 151.3 | -66.8 | -50.5 | 0 | 0 | 0 | 119.9 | ||||
| 965 | S | 23 | Very low | 25.2 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | 70 | 165.9 | 122.9 | 56.8 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 966 | S | 24.7 | Very low | 25.3 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 62.2 | 101.2 | 167.4 | 37.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 967 | S | 22 | Very low | 25.3 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -58.9 | 168.4 | 134.7 | 21.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 968 | P | 29.1 | Very low | 25.3 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | cis | -133.7 | -173 | -12.7 | 40.3 | -23.5 | 0 | 0 | 0 | 113.8 | ||||
| 969 | L | 22.5 | Very low | 25.3 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 66 | 140.2 | 148.9 | -76.7 | 167.9 | 0 | 0 | 0 | 122.2 | ||||
| 970 | Y | 24.5 | Very low | 25.3 | Very low | 206 Ų | 206 | 130.6 Ų | 130.6 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | trans | 78.5 | 146.3 | 151 | -91.3 | -71.5 | 0 | 0 | 0 | 123.9 | ||||
| 971 | S | 23.9 | Very low | 25.4 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | 66.7 | 109.3 | 153.6 | 51.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 972 | D | 24.3 | Very low | 25.6 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | 47.7 | 120.8 | 120.5 | -51.2 | -31.6 | 0 | 0 | 0 | 121.3 | |||||
| 973 | G | 26.6 | Very low | 25.6 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -168.4 | 90.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 974 | N | 25 | Very low | 25.7 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -26.5 | 153.8 | 172.9 | -63 | -57.8 | 0 | 0 | 0 | 119.9 | ||||
| 975 | S | 25 | Very low | 25.7 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | 71.5 | 153.2 | 154 | 76.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 976 | S | 25.7 | Very low | 25.8 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -169.8 | 149 | -23.5 | 52.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 977 | V | 25 | Very low | 25.9 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | 71.4 | 117.6 | 161.5 | -179.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 978 | G | 27 | Very low | 26 | Very low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | 90.6 | 136.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 979 | F | 27 | Very low | 25.8 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | cis | -154.3 | 139.9 | -6.3 | -109.9 | -82.7 | 0 | 0 | 0 | 110.4 | ||||
| 980 | N | 26.6 | Very low | 25.7 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | trans | 25.6 | 119.5 | 158.9 | -55.5 | 7.1 | 0 | 0 | 0 | 119.4 | ||||
| 981 | N | 28.6 | Very low | 25.7 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | -157.3 | 148.5 | 68.7 | -84 | -33.1 | 0 | 0 | 0 | 112.9 | |||||
| 982 | D | 28.5 | Very low | 25.6 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | -80.3 | 170.6 | 177 | -66.7 | -73 | 0 | 0 | 0 | 112.4 | ||||
| 983 | I | 27.1 | Very low | 25.6 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | cis | -138.4 | 143.3 | 27.2 | -62.8 | 166.5 | 0 | 0 | 0 | 112 | ||||
| 984 | N | 26.8 | Very low | 25.5 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -98.7 | 153.6 | 177.5 | -74.2 | -78.7 | 0 | 0 | 0 | 113.3 | ||||
| 985 | G | 27.4 | Very low | 25.5 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | -94.8 | 161.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 986 | T | 25.2 | Very low | 25.6 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | trans | -169.4 | 136.2 | 158.7 | 3.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 987 | F | 25.1 | Very low | 25.4 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | -22.5 | 149.7 | 164.6 | -70.3 | -96.2 | 0 | 0 | 0 | 120.9 | ||||
| 988 | K | 25.2 | Very low | 25.8 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | trans | 173.3 | 107.2 | 143.1 | -96.7 | -178.6 | 179.5 | -165.8 | 0 | 107.2 | ||||
| 989 | S | 24.1 | Very low | 25.7 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | 76.8 | 103.1 | 75.5 | 73 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 990 | I | 22 | Very low | 25.7 | Very low | 155 Ų | 155 | 137 Ų | 137 | 80% | 0.795 | 74% | 0.743 | S | S | * | * | trans | 63.2 | 136.2 | 146.6 | -51.6 | 172.1 | 0 | 0 | 0 | 117.6 | ||||
| 991 | P | 23.8 | Very low | 25.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | cis | -129 | -167.9 | -16.2 | 40.4 | -22.4 | 0 | 0 | 0 | 114.1 | ||||
| 992 | L | 21.5 | Very low | 25.5 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -13.8 | 138.1 | 156.4 | -60.2 | 157.2 | 0 | 0 | 0 | 118.4 | ||||
| 993 | T | 24 | Very low | 25.4 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | 174.6 | 161.9 | 112.9 | 31.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 994 | H | 24.2 | Very low | 25.3 | Very low | 142 Ų | 142 | 132 Ų | 132 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | trans | -59.3 | 154.4 | -167.5 | -86.2 | -118.4 | 0 | 0 | 0 | 121.7 | ||||
| 995 | H | 25.3 | Very low | 25.4 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | trans | 79.1 | 149.6 | 138.3 | -69.4 | -35.8 | 0 | 0 | 0 | 124.6 | ||||
| 996 | S | 27.5 | Very low | 25.5 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | trans | 94 | 92.6 | 155 | 68.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 997 | Y | 22.4 | Very low | 25.5 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | -69.1 | -177.4 | 147.9 | -86.9 | -81.9 | 0 | 0 | 0 | 112 | E132 | E132-Y997 WeakPolarHBondContact OE1-CD2 3.37Å; E132-Y997 WeakPolarHBondContact OE2-CD2 3.38Å; E132-Y997 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 998 | P | 32.3 | Very low | 25.6 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | cis | -137.5 | -172.1 | -2.9 | 26.7 | -0.9 | 0 | 0 | 0 | 116.6 | ||||
| 999 | N | 26.1 | Very low | 25.8 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | trans | 64.7 | 116.2 | 146.5 | -68.1 | -9.4 | 0 | 0 | 0 | 122.7 | ||||
| 1000 | N | 27.2 | Very low | 25.8 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | -176.3 | 110.4 | 89.6 | -106.7 | -17.7 | 0 | 0 | 0 | 116 | |||||
| 1001 | I | 24.9 | Very low | 25.9 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | 52.4 | 119.3 | 118.7 | -63.2 | -179.2 | 0 | 0 | 0 | 121.4 | |||||
| 1002 | N | 25.6 | Very low | 26 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | trans | 68.7 | 152.2 | 148.7 | -69.1 | -1.9 | 0 | 0 | 0 | 121.2 | ||||
| 1003 | S | 25.2 | Very low | 26.3 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | cis | -166.3 | 175.2 | -4.3 | 48 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1004 | D | 26.2 | Very low | 26.4 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 60% | 0.599 | 68% | 0.682 | S | S | * | * | trans | 84.4 | 97.3 | 147.9 | -69.2 | -48.5 | 0 | 0 | 0 | 125.3 | ||||
| 1005 | K | 28.8 | Very low | 26.5 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | 62.7 | 109.4 | 113.3 | -66.3 | -179.1 | -169.7 | 111.8 | 0 | 123.5 | |||||
| 1006 | S | 29.1 | Very low | 26.5 | Very low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | 74.3 | 133.5 | 122.4 | 74.2 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1007 | I | 25.6 | Very low | 26.4 | Very low | 156 Ų | 156 | 132 Ų | 132 | 80% | 0.8 | 69% | 0.692 | S | S | * | * | 178.1 | 164.8 | 123.1 | -92.4 | 165.6 | 0 | 0 | 0 | 110.7 | |||||
| 1008 | T | 27.9 | Very low | 26.5 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 77% | 0.767 | 70% | 0.701 | S | S | * | * | trans | -112.2 | 171.5 | -157.7 | 39.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1009 | Q | 27.6 | Very low | 26.2 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | trans | 99.5 | 117.9 | 153.1 | -75.3 | -173.2 | 2.5 | 0 | 0 | 122.7 | ||||
| 1010 | M | 24.3 | Very low | 26 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 59% | 0.586 | 72% | 0.715 | S | S | * | * | trans | 93 | 83.4 | 136.7 | -73.2 | -160.2 | -171.8 | 0 | 0 | 123.8 | N2219 K2220 | M1010-N2219 CarbonylContact O-C 3.53Å; M1010-K2220 PolarHBondContact O-N 3.02Å | ||
| 1011 | N | 25.8 | Very low | 25.8 | Very low | 76 Ų | 76 | 137.5 Ų | 137.5 | 41% | 0.406 | 72% | 0.72 | S | S | . | * | 105.5 | 155.3 | 112.8 | -60.1 | -28.6 | 0 | 0 | 0 | 121.8 | K2220 V2221 E2222 | N1011-K2220 CarbonylContact O-C 3.59Å; N1011-K2220 PolarHBondContact O-N 3.1Å; N1011-V2221 VanDerWaalsContact CB-C 3.42Å; N1011-E2222 PolarHBondContact ND2-N 3.18Å | |||
| 1012 | N | 25.2 | Very low | 25.8 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 47% | 0.465 | 73% | 0.727 | S | S | . | * | trans | 74.8 | 107.2 | 177.5 | -99.6 | -30.1 | 0 | 0 | 0 | 119.4 | K2220 V2221 | N1012-K2220 VanDerWaalsContact CB-O 3.24Å; N1012-K2220 WeakPolarHBondContact CB-O 3.18Å; N1012-K2220 PolarHBondContact ND2-O 2.73Å; N1012-V2221 VanDerWaalsContact CG-O 3.24Å; N1012-V2221 PolarHBondContact ND2-N 3.08Å; N1012-V2221 PolarHBondContact ND2-O 3.13Å; N1012-V2221 PolarHBondContact OD1-O 3.34Å | ||
| 1013 | N | 26.6 | Very low | 25.7 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | 36 | 103.6 | 110.6 | -57 | -30 | 0 | 0 | 0 | 118.3 | |||||
| 1014 | N | 26.1 | Very low | 25.6 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | -179.7 | 160.5 | 87.1 | -92.6 | -38.7 | 0 | 0 | 0 | 112.9 | |||||
| 1015 | N | 28.1 | Very low | 25.5 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | trans | 68.4 | 104.9 | 171.8 | -45.7 | -34.4 | 0 | 0 | 0 | 114.1 | ||||
| 1016 | N | 25.1 | Very low | 25.3 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | 62.6 | 79.1 | 65.3 | -62.5 | 0.3 | 0 | 0 | 0 | 113.8 | |||||
| 1017 | F | 23.8 | Very low | 25.2 | Very low | 202 Ų | 202 | 135 Ų | 135 | 89% | 0.886 | 73% | 0.732 | S | S | * | * | trans | -170.3 | 62.3 | 133.3 | -97.5 | -62.9 | 0 | 0 | 0 | 108.9 | ||||
| 1018 | N | 25.6 | Very low | 25.5 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 87% | 0.866 | 71% | 0.713 | S | S | * | * | trans | -108 | 47.7 | -174.8 | -71.7 | 12.6 | 0 | 0 | 0 | 112.1 | ||||
| 1019 | E | 24.9 | Very low | 25.7 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | trans | -128 | 142.4 | 171.5 | -66.6 | 177.3 | 170.6 | 0 | 0 | 107.6 | ||||
| 1020 | I | 23 | Very low | 26.6 | Very low | 159 Ų | 159 | 125 Ų | 125 | 82% | 0.815 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 76.6 | 147 | -170.4 | -47.5 | 165.8 | 0 | 0 | 0 | 113.2 | ||
| 1021 | N | 23.3 | Very low | 28.2 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | trans | 73.8 | 40.4 | 176.4 | -64.1 | -17.3 | 0 | 0 | 0 | 119 | ||||
| 1022 | S | 24.9 | Very low | 29.8 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -134.2 | 102.1 | 142.9 | 60.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1023 | A | 22.6 | Very low | 31.9 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 79% | 0.785 | 67% | 0.668 | S | S | * | * | trans | -63 | 138.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T1025 | A1023-T1025 PolarHBondContact O-N 3.41Š| ||
| 1024 | P | 23.8 | Very low | 34.1 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | trans | -60.3 | 133.3 | 167.3 | 27.4 | -32.9 | 0 | 0 | 0 | 107.9 | I1026 | P1024-I1026 PolarHBondContact O-N 3.23Š| ||
| 1025 | T | 23.3 | Very low | 36.4 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 78% | 0.779 | 64% | 0.643 | S | S | * | * | trans | -45.7 | 136.6 | 165.4 | -41.2 | 0 | 0 | 0 | 0 | 108 | A1023 L1027 | A1023-T1025 PolarHBondContact O-N 3.41Å; T1025-L1027 PolarHBondContact O-N 3.41Å | ||
| 1026 | I | 24.5 | Very low | 38.8 | Very low | 149 Ų | 149 | 112.3 Ų | 112.3 | 76% | 0.764 | 61% | 0.611 | S | S | * | * | trans | -69.5 | 83.8 | -178.2 | -57.2 | 179.2 | 0 | 0 | 0 | 108.3 | P1024 C1028 | P1024-I1026 PolarHBondContact O-N 3.23Å; I1026-C1028 PolarHBondContact O-N 2.8Å | ||
| 1027 | L | 27.4 | Very low | 41.7 | Very low | 118 Ų | 118 | 105.4 Ų | 105.4 | 62% | 0.618 | 57% | 0.574 | S | S | * | * | trans | -52.4 | 113.8 | 169.5 | -86.8 | 160.5 | 0 | 0 | 0 | 106.7 | T1025 S1029 T1128 | T1025-L1027 PolarHBondContact O-N 3.41Å; L1027-S1029 PolarHBondContact O-N 3.25Å; L1027-T1128 HydrophobicContact CD2-CG2 4.27Å | ||
| 1028 | C | 31.4 | Very low | 44.2 | Very low | 60 Ų | 60 | 97.8 Ų | 97.8 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | trans | -50.7 | 110.6 | -178.4 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | I1026 T1030 W1031 | I1026-C1028 PolarHBondContact O-N 2.8Å; C1028-T1030 PolarHBondContact O-N 2.89Å; C1028-W1031 PolarHBondContact O-N 3.28Å | ||
| 1029 | S | 33.5 | Very low | 47.1 | Very low | 121 Ų | 121 | 91.2 Ų | 91.2 | 85% | 0.846 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 4.6 | -169 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | L1027 | L1027-S1029 PolarHBondContact O-N 3.25Š|
| 1030 | T | 44.6 | Very low | 49.8 | Very low | 52 Ų | 52 | 84.2 Ų | 84.2 | 32% | 0.319 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.4 | 43.5 | -175.7 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | C1028 R1032 N1055 | C1028-T1030 PolarHBondContact O-N 2.89Å; T1030-R1032 VanDerWaalsContact C-N 3.33Å; T1030-R1032 WeakPolarHBondContact O-CG 3.45Å; T1030-R1032 PolarHBondContact O-N 3.37Å; T1030-N1055 WeakPolarHBondContact O-CB 3.09Å; T1030-N1055 PolarHBondContact O-ND2 2.73Å; T1030-N1055 PolarHBondContact OG1-ND2 2.89Å |
| 1031 | W | 59.8 | Low | 52.8 | Low | 62 Ų | 62 | 79.7 Ų | 79.7 | 24% | 0.235 | 45% | 0.454 | C | S | . | . | trans | -60.2 | 92.9 | 168.4 | -172.4 | -80.4 | 0 | 0 | 0 | 110.5 | C1028 P1057 F1063 N1125 M1132 | C1028-W1031 PolarHBondContact O-N 3.28Å; W1031-P1057 HydrophobicContact CH2-CG 3.93Å; W1031-P1057 HydrophobicContact CZ3-CB 3.88Å; W1031-P1057 VanDerWaalsContact CZ3-CD 3.44Å; W1031-P1057 HydrophobicContact CZ3-CG 3.73Å; W1031-F1063 HydrophobicContact CH2-CB 4.2Å; W1031-N1125 HydrophobicContact CH2-CB 3.54Å; W1031-N1125 WeakPolarHBondContact CH2-ND2 3.39Å; W1031-N1125 HydrophobicContact CZ2-CB 3.45Å; W1031-N1125 VanDerWaalsContact CZ2-CB 3.45Å; W1031-N1125 HydrophobicContact CZ3-CB 4.17Å; W1031-N1125 WeakPolarHBondContact CZ3-ND2 3.41Å; W1031-M1132 VanDerWaalsContact CD1-SD 3.55Å; W1031-M1132 HydrophobicContact CG-SD 4.47Å; W1031-M1132 HydrophobicContact CZ2-CE 4.1Å; W1031-M1132 PolarHBondContact NE1-SD 2.84Å | ||
| 1032 | R | 58.8 | Low | 55.8 | Low | 121 Ų | 121 | 72.4 Ų | 72.4 | 46% | 0.457 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -152.7 | 154.6 | -173 | 73.8 | -169.6 | 176.9 | 171.6 | 1.1 | 111.8 | T1030 F1054 N1055 M1132 | T1030-R1032 VanDerWaalsContact C-N 3.33Å; T1030-R1032 WeakPolarHBondContact O-CG 3.45Å; T1030-R1032 PolarHBondContact O-N 3.37Å; R1032-F1054 WeakPolarHBondContact O-CA 3.37Å; R1032-N1055 PolarHBondContact O-N 3.36Å; R1032-M1132 WeakPolarHBondContact CA-SD 3.49Å |
| 1033 | I | 69.6 | Low | 58.5 | Low | 35 Ų | 35 | 73.4 Ų | 73.4 | 18% | 0.179 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 129.4 | 163 | -69.4 | 158.3 | 0 | 0 | 0 | 108 | K1035 P1036 M1132 K1133 | I1033-K1035 VanDerWaalsContact CG2-C 3.45Å; I1033-P1036 HydrophobicContact CG2-CB 4.14Å; I1033-P1036 HydrophobicContact CG2-CG 4.48Å; I1033-M1132 HydrophobicContact CD1-CB 4.03Å; I1033-M1132 HydrophobicContact CG1-CB 4.16Å; I1033-M1132 HydrophobicContact CG1-SD 4.08Å; I1033-M1132 PolarHBondContact N-SD 2.91Å; I1033-K1133 WeakPolarHBondContact CD1-O 3.25Å |
| 1034 | I | 71.5 | Confident | 61.2 | Low | 80 Ų | 80 | 71.7 Ų | 71.7 | 41% | 0.41 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -44.9 | 173 | -53.2 | 162.5 | 0 | 0 | 0 | 109.1 | S1053 F1054 N1055 | I1034-S1053 PolarHBondContact N-O 3.29Å; I1034-F1054 VanDerWaalsContact CD1-C 3.44Å; I1034-N1055 WeakPolarHBondContact CD1-OD1 3.21Å; I1034-N1055 WeakPolarHBondContact CG1-OD1 3.47Å |
| 1035 | K | 75.2 | Confident | 63.6 | Low | 104 Ų | 104 | 68.5 Ų | 68.5 | 45% | 0.452 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 110.4 | -178.2 | -172.5 | 176.6 | -178.4 | 177.3 | 0 | 109.2 | I1033 C1052 S1053 | I1033-K1035 VanDerWaalsContact CG2-C 3.45Å; K1035-C1052 CarbonylContact O-C 3.54Å; K1035-C1052 WeakPolarHBondContact O-CA 3.41Å; K1035-S1053 PolarHBondContact N-O 2.72Å; K1035-S1053 PolarHBondContact O-N 3.48Å |
| 1036 | P | 78 | Confident | 66.3 | Low | 9 Ų | 9 | 65.5 Ų | 65.5 | 6% | 0.058 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 170.8 | 176.6 | 16 | -17.9 | 0 | 0 | 0 | 112.4 | I1033 S1134 N1462 D1498 | I1033-P1036 HydrophobicContact CG2-CB 4.14Å; I1033-P1036 HydrophobicContact CG2-CG 4.48Å; P1036-S1134 WeakPolarHBondContact CA-OG 3.47Å; P1036-S1134 WeakPolarHBondContact CB-OG 2.97Å; P1036-N1462 WeakPolarHBondContact CG-ND2 3.31Å; P1036-N1462 PolarHBondContact O-ND2 2.74Å; P1036-D1498 HydrophobicContact CG-CB 4.44Å |
| 1037 | L | 85.6 | Confident | 69.1 | Low | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 131.7 | 169.8 | -63.1 | 179.1 | 0 | 0 | 0 | 110.1 | L1050 C1052 W1067 I1121 S1134 A1136 N1462 | L1037-L1050 HydrophobicContact CD2-CB 4.31Å; L1037-C1052 HydrophobicContact CD2-CB 3.68Å; L1037-C1052 HydrophobicContact CG-CB 4.17Å; L1037-W1067 HydrophobicContact CD1-CE3 4.5Å; L1037-W1067 HydrophobicContact CD1-CZ3 3.8Å; L1037-W1067 HydrophobicContact CD2-CH2 3.49Å; L1037-W1067 VanDerWaalsContact CD2-CH2 3.49Å; L1037-W1067 HydrophobicContact CD2-CZ3 3.61Å; L1037-W1067 HydrophobicContact CG-CZ3 4.38Å; L1037-I1121 HydrophobicContact CD1-CB 3.95Å; L1037-I1121 HydrophobicContact CD1-CG2 3.68Å; L1037-I1121 HydrophobicContact CD2-CB 4.5Å; L1037-I1121 HydrophobicContact CD2-CG2 4.08Å; L1037-I1121 HydrophobicContact CG-CB 4.4Å; L1037-I1121 HydrophobicContact CG-CG2 3.72Å; L1037-S1134 PolarHBondContact N-OG 2.66Å; L1037-A1136 HydrophobicContact CB-CB 3.57Å; L1037-A1136 HydrophobicContact CD1-CB 4.43Å; L1037-N1462 WeakPolarHBondContact O-CB 3.38Å; L1037-N1462 PolarHBondContact O-ND2 3.34Å |
| 1038 | S | 77.8 | Confident | 71.9 | Confident | 42 Ų | 42 | 59.3 Ų | 59.3 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 135.9 | 177.9 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | I1040 A1136 N1462 | S1038-I1040 WeakPolarHBondContact O-CG1 3.37Å; S1038-I1040 PolarHBondContact O-N 2.76Å; S1038-A1136 VanDerWaalsContact O-CB 3.29Å; S1038-A1136 WeakPolarHBondContact O-CB 3.35Å; S1038-N1462 PolarHBondContact N-ND2 2.93Å |
| 1039 | N | 85.7 | Confident | 74.5 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 132.4 | 165.6 | -79.3 | 2.4 | 0 | 0 | 0 | 110.6 | A1136 S1137 Y1459 N1462 L1464 | N1039-A1136 VanDerWaalsContact OD1-CA 3.28Å; N1039-A1136 WeakPolarHBondContact OD1-CA 3.34Å; N1039-S1137 WeakPolarHBondContact CA-O 3.46Å; N1039-S1137 PolarHBondContact ND2-OG 2.81Å; N1039-S1137 PolarHBondContact OD1-N 3.06Å; N1039-S1137 PolarHBondContact OD1-OG 2.81Å; N1039-Y1459 HydrophobicContact CB-CD1 4.17Å; N1039-Y1459 HydrophobicContact CB-CE1 3.77Å; N1039-N1462 PolarHBondContact ND2-O 3.15Å; N1039-N1462 PolarHBondContact OD1-O 3.29Å; N1039-L1464 PolarHBondContact ND2-N 3.43Å |
| 1040 | I | 82.5 | Confident | 77.1 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.8 | -176.4 | -57.9 | -175.5 | 0 | 0 | 0 | 109.9 | S1038 C1042 I1048 L1050 S1137 L1138 T1139 | S1038-I1040 WeakPolarHBondContact O-CG1 3.37Å; S1038-I1040 PolarHBondContact O-N 2.76Å; I1040-C1042 HydrophobicContact CG2-CB 4.36Å; I1040-I1048 HydrophobicContact CD1-CB 4.17Å; I1040-I1048 HydrophobicContact CG2-CB 4.44Å; I1040-I1048 HydrophobicContact CG2-CG2 3.94Å; I1040-L1050 HydrophobicContact CD1-CD2 3.64Å; I1040-L1050 HydrophobicContact CD1-CG 3.95Å; I1040-L1050 HydrophobicContact CG1-CD2 4.12Å; I1040-S1137 PolarHBondContact N-O 2.96Å; I1040-L1138 HydrophobicContact CB-CD1 3.75Å; I1040-L1138 HydrophobicContact CG2-CD1 3.72Å; I1040-T1139 PolarHBondContact O-N 3.38Å |
| 1041 | Q | 85.6 | Confident | 79.2 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132 | 165.2 | -74.9 | 168.3 | -51.3 | 0 | 0 | 108.2 | T1139 I1141 | Q1041-T1139 WeakPolarHBondContact CA-O 3.38Å; Q1041-I1141 HydrophobicContact CB-CD1 4.43Å; Q1041-I1141 HydrophobicContact CB-CG1 4.5Å |
| 1042 | C | 84.7 | Confident | 80.5 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 170.2 | -173.2 | 61.8 | 0 | 0 | 0 | 0 | 111 | I1040 D1046 I1048 T1139 I1140 I1141 | I1040-C1042 HydrophobicContact CG2-CB 4.36Å; C1042-D1046 WeakPolarHBondContact CA-OD2 3.48Å; C1042-D1046 HydrophobicContact CB-CB 3.98Å; C1042-D1046 WeakPolarHBondContact CB-OD2 3.12Å; C1042-I1048 HydrophobicContact CB-CG2 3.99Å; C1042-T1139 PolarHBondContact N-O 3.46Å; C1042-T1139 VanDerWaalsContact N-O 3.14Å; C1042-I1140 CarbonylContact O-C 3.49Å; C1042-I1140 WeakPolarHBondContact O-CA 3.42Å; C1042-I1141 PolarHBondContact O-N 2.93Å |
| 1043 | K | 82 | Confident | 81.8 | Confident | 133 Ų | 133 | 47.6 Ų | 47.6 | 58% | 0.578 | 25% | 0.247 | S | C | * | . | trans | -97 | 170.5 | 170.6 | -63.5 | 175.4 | -176.4 | 174.5 | 0 | 110.4 | D1046 | K1043-D1046 PolarHBondContact N-OD2 2.96Å; K1043-D1046 PolarHBondContact O-N 2.68Å | ||
| 1044 | L | 80.6 | Confident | 82.3 | Confident | 59 Ų | 59 | 46 Ų | 46 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 138.6 | 166.8 | -72.3 | 178.1 | 0 | 0 | 0 | 110.4 | D1046 A1113 I1140 E1173 | L1044-D1046 VanDerWaalsContact C-N 3.28Å; L1044-D1046 PolarHBondContact O-N 3.22Å; L1044-A1113 HydrophobicContact CD2-CB 4.28Å; L1044-A1113 VanDerWaalsContact CD2-N 3.33Å; L1044-I1140 HydrophobicContact CD2-CD1 4.4Å; L1044-I1140 HydrophobicContact CD2-CG2 4.22Å; L1044-I1140 HydrophobicContact CG-CG2 4.26Å; L1044-E1173 HydrophobicContact CD1-CB 3.81Å; L1044-E1173 HydrophobicContact CD1-CG 4.08Å |
| 1045 | G | 74.4 | Confident | 82.3 | Confident | 46 Ų | 46 | 44.4 Ų | 44.4 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -9.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1111 | G1045-V1111 PolarHBondContact N-O 2.68Š|
| 1046 | D | 80.2 | Confident | 81.5 | Confident | 65 Ų | 65 | 40.3 Ų | 40.3 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | trans | -62.8 | 147.5 | 175.8 | -77.2 | -7.1 | 0 | 0 | 0 | 111.3 | C1042 K1043 L1044 V1111 | C1042-D1046 WeakPolarHBondContact CA-OD2 3.48Å; C1042-D1046 HydrophobicContact CB-CB 3.98Å; C1042-D1046 WeakPolarHBondContact CB-OD2 3.12Å; K1043-D1046 PolarHBondContact N-OD2 2.96Å; K1043-D1046 PolarHBondContact O-N 2.68Å; L1044-D1046 VanDerWaalsContact C-N 3.28Å; L1044-D1046 PolarHBondContact O-N 3.22Å; D1046-V1111 WeakPolarHBondContact O-CB 3.45Å; D1046-V1111 VanDerWaalsContact O-CG2 3.31Å; D1046-V1111 WeakPolarHBondContact O-CG2 3.03Å; D1046-V1111 PolarHBondContact O-N 3.06Å | ||
| 1047 | M | 82.2 | Confident | 80.8 | Confident | 124 Ų | 124 | 40.7 Ų | 40.7 | 61% | 0.611 | 22% | 0.221 | S | C | * | . | trans | -89.1 | 131.5 | 165.5 | 177.1 | 178.4 | -55.9 | 0 | 0 | 109.6 | M1107 I1108 K1109 | M1047-M1107 HydrophobicContact CG-CG 4.38Å; M1047-M1107 HydrophobicContact SD-SD 4Å; M1047-I1108 WeakPolarHBondContact CA-O 3.09Å; M1047-K1109 HydrophobicContact CE-CB 4.29Å; M1047-K1109 HydrophobicContact CE-CG 4.29Å | ||
| 1048 | I | 86.1 | Confident | 79.4 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 156.7 | -178.8 | 64.3 | 169.7 | 0 | 0 | 0 | 112.5 | I1040 C1042 M1107 I1108 V1111 L1138 | I1040-I1048 HydrophobicContact CD1-CB 4.17Å; I1040-I1048 HydrophobicContact CG2-CB 4.44Å; I1040-I1048 HydrophobicContact CG2-CG2 3.94Å; C1042-I1048 HydrophobicContact CB-CG2 3.99Å; I1048-M1107 WeakPolarHBondContact O-CA 3.29Å; I1048-I1108 HydrophobicContact CD1-CB 4.17Å; I1048-I1108 HydrophobicContact CD1-CD1 4.2Å; I1048-I1108 HydrophobicContact CG1-CB 3.76Å; I1048-I1108 PolarHBondContact N-O 3.3Å; I1048-I1108 PolarHBondContact O-N 3.43Å; I1048-V1111 HydrophobicContact CB-CG2 4.25Å; I1048-V1111 HydrophobicContact CD1-CG2 3.54Å; I1048-V1111 HydrophobicContact CG1-CG2 3.55Å; I1048-V1111 HydrophobicContact CG2-CG2 3.79Å; I1048-L1138 HydrophobicContact CD1-CD1 3.49Å; I1048-L1138 VanDerWaalsContact CD1-CD1 3.49Å; I1048-L1138 HydrophobicContact CD1-CD2 3.36Å; I1048-L1138 HydrophobicContact CD1-CG 4.04Å; I1048-L1138 HydrophobicContact CG2-CD1 4.48Å |
| 1049 | K | 85.3 | Confident | 78.7 | Confident | 94 Ų | 94 | 46.8 Ų | 46.8 | 41% | 0.409 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 111.2 | -178.9 | 172.9 | 174.4 | 170.5 | 136.9 | 0 | 110.2 | E1105 | K1049-E1105 HydrophobicContact CD-CG 4.47Å; K1049-E1105 WeakPolarHBondContact CD-OE1 3.2Å; K1049-E1105 WeakPolarHBondContact CE-OE1 3.28Å; K1049-E1105 VanDerWaalsContact CE-OE2 3.31Å; K1049-E1105 WeakPolarHBondContact CE-OE2 3.21Å; K1049-E1105 HydrophobicContact CG-CG 4.11Å; K1049-E1105 IonicContact NZ-OE1 3.93Å; K1049-E1105 PolarHBondContact NZ-OE1 3.44Å; K1049-E1105 IonicContact NZ-OE2 3.94Å; K1049-E1105 PolarHBondContact NZ-OE2 3.24Å |
| 1050 | L | 89.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.6 | 171.3 | -70.7 | 163.6 | 0 | 0 | 0 | 108 | L1037 I1040 W1067 E1105 L1106 Y1119 A1136 | L1037-L1050 HydrophobicContact CD2-CB 4.31Å; I1040-L1050 HydrophobicContact CD1-CD2 3.64Å; I1040-L1050 HydrophobicContact CD1-CG 3.95Å; I1040-L1050 HydrophobicContact CG1-CD2 4.12Å; L1050-W1067 HydrophobicContact CB-CH2 4.01Å; L1050-W1067 HydrophobicContact CB-CZ3 3.91Å; L1050-W1067 WeakPolarHBondContact O-CH2 3.36Å; L1050-E1105 CarbonylContact O-C 3.51Å; L1050-E1105 WeakPolarHBondContact O-CA 3.37Å; L1050-L1106 HydrophobicContact CB-CB 4.31Å; L1050-L1106 HydrophobicContact CD1-CD2 4.27Å; L1050-L1106 PolarHBondContact N-O 3.17Å; L1050-L1106 PolarHBondContact O-N 3.41Å; L1050-Y1119 HydrophobicContact CD1-CD1 3.59Å; L1050-Y1119 HydrophobicContact CD1-CD2 4.11Å; L1050-Y1119 HydrophobicContact CD1-CE1 4.16Å; L1050-Y1119 HydrophobicContact CD1-CG 3.59Å; L1050-A1136 HydrophobicContact CD2-CB 3.93Å |
| 1051 | Q | 89.1 | Confident | 77.2 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.5 | -177.4 | -172.7 | -179.3 | 0.2 | 0 | 0 | 111.2 | Y1103 A1104 E1105 | Q1051-Y1103 HydrophobicContact CG-CD2 3.92Å; Q1051-A1104 WeakPolarHBondContact CA-O 3.33Å; Q1051-E1105 HydrophobicContact CG-CB 4.31Å |
| 1052 | C | 87.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.7 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | K1035 L1037 Y1103 A1104 I1121 | K1035-C1052 CarbonylContact O-C 3.54Å; K1035-C1052 WeakPolarHBondContact O-CA 3.41Å; L1037-C1052 HydrophobicContact CD2-CB 3.68Å; L1037-C1052 HydrophobicContact CG-CB 4.17Å; C1052-Y1103 CarbonylContact O-C 3.54Å; C1052-Y1103 VanDerWaalsContact O-CA 3.23Å; C1052-Y1103 WeakPolarHBondContact O-CA 3.18Å; C1052-Y1103 WeakPolarHBondContact O-CB 3.35Å; C1052-A1104 PolarHBondContact N-O 3.01Å; C1052-A1104 PolarHBondContact O-N 3.25Å; C1052-I1121 HydrophobicContact CB-CD1 4.03Å; C1052-I1121 HydrophobicContact CB-CG2 3.95Å |
| 1053 | S | 85.1 | Confident | 76.1 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 15% | 0.147 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142.8 | 176.2 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | I1034 K1035 D1102 | I1034-S1053 PolarHBondContact N-O 3.29Å; K1035-S1053 PolarHBondContact N-O 2.72Å; K1035-S1053 PolarHBondContact O-N 3.48Å; S1053-D1102 CarbonylContact C-O 3.56Å; S1053-D1102 VanDerWaalsContact CA-O 3.25Å; S1053-D1102 WeakPolarHBondContact CA-O 3.25Å |
| 1054 | F | 81 | Confident | 76.2 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 148.7 | -173.2 | 53.8 | -89.6 | 0 | 0 | 0 | 111.9 | R1032 I1034 G1056 F1063 I1101 D1102 A1104 I1123 M1132 | R1032-F1054 WeakPolarHBondContact O-CA 3.37Å; I1034-F1054 VanDerWaalsContact CD1-C 3.44Å; F1054-G1056 VanDerWaalsContact C-N 3.31Å; F1054-G1056 PolarHBondContact O-N 3.05Å; F1054-F1063 HydrophobicContact CE2-CD2 4.25Å; F1054-F1063 HydrophobicContact CE2-CE1 4.34Å; F1054-F1063 AromaticContact CE2-CE2 3.82Å; F1054-F1063 HydrophobicContact CE2-CE2 3.82Å; F1054-F1063 AromaticContact CE2-CZ 3.86Å; F1054-F1063 HydrophobicContact CE2-CZ 3.86Å; F1054-F1063 HydrophobicContact CZ-CD2 4.25Å; F1054-F1063 AromaticContact CZ-CE2 3.54Å; F1054-F1063 HydrophobicContact CZ-CE2 3.54Å; F1054-F1063 AromaticContact CZ-CZ 3.8Å; F1054-F1063 HydrophobicContact CZ-CZ 3.8Å; F1054-I1101 VanDerWaalsContact CE2-O 3.23Å; F1054-I1101 WeakPolarHBondContact CE2-O 3.36Å; F1054-D1102 PolarHBondContact N-O 3.31Å; F1054-D1102 WeakPolarHBondContact O-CA 3.4Å; F1054-A1104 HydrophobicContact CE1-CB 4.12Å; F1054-I1123 HydrophobicContact CB-CD1 4.38Å; F1054-I1123 HydrophobicContact CD1-CD1 3.38Å; F1054-I1123 HydrophobicContact CD1-CG1 4.18Å; F1054-I1123 HydrophobicContact CD2-CG2 4.23Å; F1054-I1123 HydrophobicContact CE1-CD1 3.76Å; F1054-I1123 HydrophobicContact CE1-CG1 4.09Å; F1054-I1123 HydrophobicContact CE2-CG2 4.11Å; F1054-I1123 HydrophobicContact CG-CD1 3.92Å; F1054-I1123 HydrophobicContact CZ-CG2 4.27Å; F1054-M1132 HydrophobicContact CB-CE 3.78Å; F1054-M1132 HydrophobicContact CD2-CE 4.38Å; F1054-M1132 HydrophobicContact CG-CE 4.26Å |
| 1055 | N | 69.8 | Low | 76.5 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | trans | -75 | 88.4 | 170.2 | -87 | 10.4 | 0 | 0 | 0 | 108 | T1030 R1032 I1034 | T1030-N1055 WeakPolarHBondContact O-CB 3.09Å; T1030-N1055 PolarHBondContact O-ND2 2.73Å; T1030-N1055 PolarHBondContact OG1-ND2 2.89Å; R1032-N1055 PolarHBondContact O-N 3.36Å; I1034-N1055 WeakPolarHBondContact CD1-OD1 3.21Å; I1034-N1055 WeakPolarHBondContact CG1-OD1 3.47Å | ||
| 1056 | G | 60.2 | Low | 77 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | trans | -74.2 | 177.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1054 | F1054-G1056 VanDerWaalsContact C-N 3.31Å; F1054-G1056 PolarHBondContact O-N 3.05Å | ||
| 1057 | P | 62.3 | Low | 77.6 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 11% | 0.11 | 25% | 0.25 | C | S | . | . | trans | -77.5 | 174.6 | 168.5 | 31.4 | -24.5 | 0 | 0 | 0 | 110.7 | W1031 S1059 A1062 F1063 I1101 | W1031-P1057 HydrophobicContact CH2-CG 3.93Å; W1031-P1057 HydrophobicContact CZ3-CB 3.88Å; W1031-P1057 VanDerWaalsContact CZ3-CD 3.44Å; W1031-P1057 HydrophobicContact CZ3-CG 3.73Å; P1057-S1059 PolarHBondContact O-N 2.91Å; P1057-A1062 HydrophobicContact CB-CB 3.81Å; P1057-A1062 HydrophobicContact CG-CB 3.58Å; P1057-F1063 VanDerWaalsContact CD-CD1 3.46Å; P1057-F1063 HydrophobicContact CG-CB 4.35Å; P1057-F1063 HydrophobicContact CG-CD1 3.57Å; P1057-F1063 HydrophobicContact CG-CE1 4.35Å; P1057-F1063 HydrophobicContact CG-CG 4.4Å; P1057-I1101 WeakPolarHBondContact O-CG2 3.09Å | ||
| 1058 | S | 56.2 | Low | 77.9 | Confident | 128 Ų | 128 | 39.3 Ų | 39.3 | 90% | 0.895 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -73 | -1.4 | -177.3 | 43.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1059 | S | 63.5 | Low | 78 | Confident | 42 Ų | 42 | 39.6 Ų | 39.6 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -138.1 | 153.3 | 171.4 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | P1057 D1061 A1062 | P1057-S1059 PolarHBondContact O-N 2.91Å; S1059-D1061 PolarHBondContact O-N 3.05Å; S1059-D1061 PolarHBondContact OG-N 2.88Å; S1059-D1061 PolarHBondContact OG-OD2 2.77Å; S1059-A1062 PolarHBondContact O-N 2.89Å |
| 1060 | K | 66.7 | Low | 78.2 | Confident | 102 Ų | 102 | 39.7 Ų | 39.7 | 44% | 0.443 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -63 | -27.7 | 169.3 | -174.7 | 168.5 | 174.1 | 170.7 | 0 | 112.5 | A1062 F1063 I1099 I1101 | K1060-A1062 VanDerWaalsContact C-N 3.33Å; K1060-A1062 PolarHBondContact O-N 2.88Å; K1060-F1063 VanDerWaalsContact O-O 3.12Å; K1060-I1099 PolarHBondContact NZ-O 3.06Å; K1060-I1101 HydrophobicContact CB-CG1 4.4Å |
| 1061 | D | 68.7 | Low | 78 | Confident | 139 Ų | 139 | 41.5 Ų | 41.5 | 74% | 0.743 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -79 | -15.5 | -175.8 | -42.6 | -57.1 | 0 | 0 | 0 | 113.5 | S1059 F1063 | S1059-D1061 PolarHBondContact O-N 3.05Å; S1059-D1061 PolarHBondContact OG-N 2.88Å; S1059-D1061 PolarHBondContact OG-OD2 2.77Å; D1061-F1063 PolarHBondContact O-N 2.73Å |
| 1062 | A | 67.6 | Low | 77.8 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -83.9 | 4.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1057 S1059 K1060 E1126 E1127 | P1057-A1062 HydrophobicContact CB-CB 3.81Å; P1057-A1062 HydrophobicContact CG-CB 3.58Å; S1059-A1062 PolarHBondContact O-N 2.89Å; K1060-A1062 VanDerWaalsContact C-N 3.33Å; K1060-A1062 PolarHBondContact O-N 2.88Å; A1062-E1126 PolarHBondContact O-N 3.22Å; A1062-E1127 HydrophobicContact CB-CG 4.46Å |
| 1063 | F | 81.3 | Confident | 77.3 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 4% | 0.044 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 153.7 | 172.9 | 70.6 | -84.6 | 0 | 0 | 0 | 113.2 | W1031 F1054 P1057 K1060 D1061 V1065 I1099 K1100 I1123 R1124 | W1031-F1063 HydrophobicContact CH2-CB 4.2Å; F1054-F1063 HydrophobicContact CE2-CD2 4.25Å; F1054-F1063 HydrophobicContact CE2-CE1 4.34Å; F1054-F1063 AromaticContact CE2-CE2 3.82Å; F1054-F1063 HydrophobicContact CE2-CE2 3.82Å; F1054-F1063 AromaticContact CE2-CZ 3.86Å; F1054-F1063 HydrophobicContact CE2-CZ 3.86Å; F1054-F1063 HydrophobicContact CZ-CD2 4.25Å; F1054-F1063 AromaticContact CZ-CE2 3.54Å; F1054-F1063 HydrophobicContact CZ-CE2 3.54Å; F1054-F1063 AromaticContact CZ-CZ 3.8Å; F1054-F1063 HydrophobicContact CZ-CZ 3.8Å; P1057-F1063 VanDerWaalsContact CD-CD1 3.46Å; P1057-F1063 HydrophobicContact CG-CB 4.35Å; P1057-F1063 HydrophobicContact CG-CD1 3.57Å; P1057-F1063 HydrophobicContact CG-CE1 4.35Å; P1057-F1063 HydrophobicContact CG-CG 4.4Å; K1060-F1063 VanDerWaalsContact O-O 3.12Å; D1061-F1063 PolarHBondContact O-N 2.73Å; F1063-V1065 HydrophobicContact CD2-CG2 3.97Å; F1063-V1065 HydrophobicContact CE2-CG2 3.77Å; F1063-I1099 HydrophobicContact CE2-CG2 3.88Å; F1063-I1099 HydrophobicContact CZ-CG2 4.16Å; F1063-K1100 WeakPolarHBondContact CZ-O 3.2Å; F1063-I1123 HydrophobicContact CD2-CG2 3.98Å; F1063-R1124 CarbonylContact C-O 3.56Å; F1063-R1124 WeakPolarHBondContact CA-O 3.14Å; F1063-R1124 WeakPolarHBondContact CB-O 3.44Å |
| 1064 | T | 82.9 | Confident | 76.7 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 37% | 0.368 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 153.2 | 169.1 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | I1123 R1124 E1126 | T1064-I1123 CarbonylContact O-C 3.53Å; T1064-I1123 WeakPolarHBondContact O-CA 3.48Å; T1064-R1124 PolarHBondContact N-O 2.88Å; T1064-R1124 PolarHBondContact O-N 2.71Å; T1064-E1126 WeakPolarHBondContact CB-OE1 3.22Å; T1064-E1126 HydrophobicContact CG2-CG 4Å; T1064-E1126 VanDerWaalsContact CG2-OE1 3.26Å; T1064-E1126 WeakPolarHBondContact CG2-OE1 3.39Å; T1064-E1126 PolarHBondContact OG1-OE1 3.12Å |
| 1065 | V | 87.7 | Confident | 76.1 | Confident | 25 Ų | 25 | 51.1 Ų | 51.1 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.7 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | F1063 I1099 A1104 I1121 R1122 I1123 | F1063-V1065 HydrophobicContact CD2-CG2 3.97Å; F1063-V1065 HydrophobicContact CE2-CG2 3.77Å; V1065-I1099 HydrophobicContact CB-CD1 3.77Å; V1065-I1099 HydrophobicContact CB-CG1 4.2Å; V1065-I1099 HydrophobicContact CG1-CD1 4.43Å; V1065-I1099 HydrophobicContact CG1-CG1 4.5Å; V1065-I1099 HydrophobicContact CG2-CD1 4.03Å; V1065-I1099 HydrophobicContact CG2-CG1 4.14Å; V1065-I1099 HydrophobicContact CG2-CG2 3.9Å; V1065-A1104 HydrophobicContact CG1-CB 3.99Å; V1065-A1104 HydrophobicContact CG2-CB 4.16Å; V1065-I1121 HydrophobicContact CG1-CD1 3.82Å; V1065-I1121 HydrophobicContact CG1-CG1 3.87Å; V1065-R1122 CarbonylContact C-O 3.46Å; V1065-R1122 WeakPolarHBondContact CA-O 3.29Å; V1065-I1123 HydrophobicContact CG2-CG1 4.38Å |
| 1066 | S | 85.4 | Confident | 76 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138.9 | 173.9 | 45.2 | 0 | 0 | 0 | 0 | 110.7 | I1121 R1122 | S1066-I1121 CarbonylContact O-C 3.59Å; S1066-R1122 PolarHBondContact N-O 3.46Å; S1066-R1122 PolarHBondContact O-N 3.42Å; S1066-R1122 PolarHBondContact OG-O 2.81Å |
| 1067 | W | 91.1 | Very high | 76.1 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141 | 179.5 | -65 | 80.1 | 0 | 0 | 0 | 111.6 | L1037 L1050 I1087 F1089 E1097 L1106 T1120 I1121 | L1037-W1067 HydrophobicContact CD1-CE3 4.5Å; L1037-W1067 HydrophobicContact CD1-CZ3 3.8Å; L1037-W1067 HydrophobicContact CD2-CH2 3.49Å; L1037-W1067 VanDerWaalsContact CD2-CH2 3.49Å; L1037-W1067 HydrophobicContact CD2-CZ3 3.61Å; L1037-W1067 HydrophobicContact CG-CZ3 4.38Å; L1050-W1067 HydrophobicContact CB-CH2 4.01Å; L1050-W1067 HydrophobicContact CB-CZ3 3.91Å; L1050-W1067 WeakPolarHBondContact O-CH2 3.36Å; W1067-I1087 HydrophobicContact CB-CB 4.25Å; W1067-I1087 HydrophobicContact CB-CD1 4.07Å; W1067-I1087 HydrophobicContact CB-CG1 4.3Å; W1067-I1087 PolarHBondContact O-N 3.07Å; W1067-F1089 HydrophobicContact CB-CZ 4.12Å; W1067-F1089 AromaticContact CD1-CZ 3.63Å; W1067-F1089 HydrophobicContact CG-CZ 4.12Å; W1067-E1097 PolarHBondContact NE1-OE1 2.81Å; W1067-L1106 HydrophobicContact CD2-CB 3.99Å; W1067-L1106 HydrophobicContact CD2-CD2 3.86Å; W1067-L1106 HydrophobicContact CD2-CG 4.48Å; W1067-L1106 HydrophobicContact CE3-CB 3.97Å; W1067-L1106 HydrophobicContact CE3-CD2 3.58Å; W1067-L1106 HydrophobicContact CE3-CG 4.42Å; W1067-L1106 HydrophobicContact CG-CD2 4.33Å; W1067-L1106 HydrophobicContact CH2-CB 3.48Å; W1067-L1106 VanDerWaalsContact CH2-CB 3.48Å; W1067-L1106 HydrophobicContact CZ2-CB 3.51Å; W1067-L1106 HydrophobicContact CZ3-CB 3.73Å; W1067-L1106 HydrophobicContact CZ3-CD2 3.96Å; W1067-T1120 WeakPolarHBondContact CA-O 3.3Å; W1067-I1121 HydrophobicContact CD2-CB 4.11Å; W1067-I1121 HydrophobicContact CD2-CD1 4.33Å; W1067-I1121 HydrophobicContact CD2-CG1 3.97Å; W1067-I1121 HydrophobicContact CE3-CB 3.96Å; W1067-I1121 HydrophobicContact CE3-CG1 4.32Å; W1067-I1121 HydrophobicContact CG-CG1 4.46Å; W1067-I1121 HydrophobicContact CH2-CB 4.32Å; W1067-I1121 HydrophobicContact CH2-CD1 3.96Å; W1067-I1121 HydrophobicContact CH2-CG1 4.42Å; W1067-I1121 HydrophobicContact CZ2-CB 4.43Å; W1067-I1121 HydrophobicContact CZ2-CD1 3.47Å; W1067-I1121 VanDerWaalsContact CZ2-CD1 3.47Å; W1067-I1121 HydrophobicContact CZ2-CG1 4.04Å; W1067-I1121 HydrophobicContact CZ3-CB 4.07Å |
| 1068 | F | 89.3 | Confident | 76 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.6 | 177.7 | -54.9 | -81.5 | 0 | 0 | 0 | 110.8 | K1084 E1085 R1086 Y1119 T1120 R1122 | F1068-K1084 HydrophobicContact CB-CG 4.06Å; F1068-K1084 HydrophobicContact CD1-CD 4.36Å; F1068-K1084 HydrophobicContact CD1-CG 4.16Å; F1068-K1084 HydrophobicContact CG-CD 4.41Å; F1068-K1084 VanDerWaalsContact CG-CE 3.46Å; F1068-K1084 HydrophobicContact CG-CG 4.3Å; F1068-E1085 CarbonylContact C-O 3.53Å; F1068-E1085 WeakPolarHBondContact CA-O 2.98Å; F1068-E1085 WeakPolarHBondContact CB-O 3.31Å; F1068-R1086 HydrophobicContact CD1-CB 3.94Å; F1068-R1086 HydrophobicContact CD1-CG 4.3Å; F1068-R1086 HydrophobicContact CE1-CB 3.95Å; F1068-R1086 HydrophobicContact CE1-CG 4.03Å; F1068-Y1119 CarbonylContact O-C 3.57Å; F1068-Y1119 WeakPolarHBondContact O-CA 3.48Å; F1068-T1120 PolarHBondContact N-O 2.82Å; F1068-T1120 PolarHBondContact O-N 3.22Å; F1068-R1122 HydrophobicContact CE2-CB 4.37Å |
| 1069 | Y | 89.2 | Confident | 76.6 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 7% | 0.071 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.5 | 179.5 | 175.7 | -121.6 | 0 | 0 | 0 | 110.6 | P1071 K1084 E1085 Y1114 R1115 A1116 L1118 Y1119 | Y1069-P1071 HydrophobicContact CE1-CB 3.98Å; Y1069-P1071 HydrophobicContact CE1-CG 4.3Å; Y1069-K1084 WeakPolarHBondContact O-CA 3.25Å; Y1069-E1085 PolarHBondContact N-O 3.3Å; Y1069-E1085 PolarHBondContact O-N 2.85Å; Y1069-Y1114 PolarHBondContact OH-O 2.91Å; Y1069-R1115 VanDerWaalsContact CE2-O 3.27Å; Y1069-R1115 WeakPolarHBondContact CE2-O 3.36Å; Y1069-R1115 WeakPolarHBondContact OH-CA 3.28Å; Y1069-R1115 PolarHBondContact OH-O 2.88Å; Y1069-A1116 PolarHBondContact OH-N 3.03Å; Y1069-A1116 PolarHBondContact OH-O 2.67Å; Y1069-A1116 VanDerWaalsContact OH-O 3.12Å; Y1069-L1118 CarbonylContact C-O 3.53Å; Y1069-L1118 WeakPolarHBondContact CA-O 2.95Å; Y1069-Y1119 HydrophobicContact CD2-CD1 4.27Å; Y1069-Y1119 AromaticContact CD2-CD2 3.99Å; Y1069-Y1119 HydrophobicContact CD2-CD2 3.99Å; Y1069-Y1119 AromaticContact CD2-CE1 3.88Å; Y1069-Y1119 HydrophobicContact CD2-CE1 3.88Å; Y1069-Y1119 AromaticContact CD2-CE2 3.53Å; Y1069-Y1119 HydrophobicContact CD2-CE2 3.53Å; Y1069-Y1119 HydrophobicContact CD2-CG 4.31Å; Y1069-Y1119 AromaticContact CD2-CZ 3.47Å; Y1069-Y1119 VanDerWaalsContact CD2-CZ 3.47Å; Y1069-Y1119 HydrophobicContact CE2-CD2 4.32Å; Y1069-Y1119 AromaticContact CE2-CE2 3.56Å; Y1069-Y1119 HydrophobicContact CE2-CE2 3.56Å; Y1069-Y1119 AromaticContact CE2-CZ 3.66Å; Y1069-Y1119 HydrophobicContact CG-CE1 4.48Å |
| 1070 | R | 87.7 | Confident | 77 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 36% | 0.362 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 110.5 | 168.7 | -62.7 | 179.4 | 166.8 | 174.3 | -6.8 | 109.6 | L1083 K1084 G1117 L1118 | R1070-L1083 WeakPolarHBondContact CA-O 3.35Å; R1070-L1083 WeakPolarHBondContact CG-O 3.32Å; R1070-K1084 HydrophobicContact CG-CB 4.3Å; R1070-G1117 CarbonylContact O-C 3.09Å; R1070-G1117 WeakPolarHBondContact O-CA 3.49Å; R1070-L1118 HydrophobicContact CB-CB 4.33Å; R1070-L1118 PolarHBondContact N-O 3Å; R1070-L1118 PolarHBondContact O-N 2.93Å |
| 1071 | P | 86.6 | Confident | 77.7 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 155.1 | 179.4 | 26.1 | -34.2 | 0 | 0 | 0 | 112 | Y1069 G1082 | Y1069-P1071 HydrophobicContact CE1-CB 3.98Å; Y1069-P1071 HydrophobicContact CE1-CG 4.3Å; P1071-G1082 PolarHBondContact O-N 3.12Å |
| 1072 | F | 84.4 | Confident | 78 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.4 | 168.5 | -73.8 | -62.9 | 0 | 0 | 0 | 111.4 | L1079 Y1081 A1116 L1138 V1227 | F1072-L1079 HydrophobicContact CB-CD1 4.11Å; F1072-L1079 HydrophobicContact CD1-CD1 3.89Å; F1072-L1079 HydrophobicContact CD1-CD2 3.85Å; F1072-L1079 HydrophobicContact CD1-CG 3.98Å; F1072-L1079 HydrophobicContact CE1-CD2 3.89Å; F1072-L1079 HydrophobicContact CE1-CG 4.46Å; F1072-L1079 HydrophobicContact CG-CD1 4.28Å; F1072-Y1081 HydrophobicContact CD1-CD1 4.1Å; F1072-Y1081 AromaticContact CD1-CE1 3.64Å; F1072-Y1081 HydrophobicContact CD1-CE1 3.64Å; F1072-Y1081 HydrophobicContact CE1-CD1 4.26Å; F1072-Y1081 AromaticContact CE1-CE1 3.35Å; F1072-Y1081 HydrophobicContact CE1-CE1 3.35Å; F1072-Y1081 AromaticContact CE1-CZ 3.92Å; F1072-Y1081 HydrophobicContact CZ-CE1 4.16Å; F1072-A1116 VanDerWaalsContact CD2-C 3.41Å; F1072-A1116 HydrophobicContact CD2-CB 3.88Å; F1072-A1116 WeakPolarHBondContact CD2-O 3.48Å; F1072-A1116 HydrophobicContact CE2-CB 4.2Å; F1072-A1116 PolarHBondContact N-O 3.07Å; F1072-A1116 VanDerWaalsContact N-O 3.08Å; F1072-L1138 WeakPolarHBondContact CE2-O 3.43Å; F1072-V1227 HydrophobicContact CB-CG2 4.36Å; F1072-V1227 HydrophobicContact CD1-CG1 4.31Å; F1072-V1227 HydrophobicContact CD2-CG1 3.61Å; F1072-V1227 HydrophobicContact CD2-CG2 4.23Å; F1072-V1227 HydrophobicContact CE1-CG1 4.07Å; F1072-V1227 HydrophobicContact CE2-CG1 3.34Å; F1072-V1227 HydrophobicContact CG-CG1 4.1Å; F1072-V1227 HydrophobicContact CG-CG2 4.21Å; F1072-V1227 HydrophobicContact CZ-CG1 3.59Å |
| 1073 | K | 75.8 | Confident | 78.2 | Confident | 120 Ų | 120 | 66.1 Ų | 66.1 | 52% | 0.522 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 129 | 179.9 | -169.9 | 169.4 | -174.8 | 169.7 | 0 | 111.1 | I1075 S1080 | K1073-I1075 HydrophobicContact CG-CG1 4.27Å; K1073-S1080 PolarHBondContact N-O 3.01Å; K1073-S1080 CarbonylContact O-C 3.48Å; K1073-S1080 WeakPolarHBondContact O-CA 3.16Å; K1073-S1080 PolarHBondContact O-N 3.42Å; K1073-S1080 PolarHBondContact O-OG 3.48Å |
| 1074 | L | 74.3 | Confident | 78.1 | Confident | 57 Ų | 57 | 69.2 Ų | 69.2 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 120.2 | 175.9 | -161.3 | 74.2 | 0 | 0 | 0 | 110.2 | V1177 Y1226 | L1074-V1177 HydrophobicContact CB-CG1 4.34Å; L1074-Y1226 HydrophobicContact CD1-CD1 3.72Å; L1074-Y1226 HydrophobicContact CD1-CD2 3.86Å; L1074-Y1226 HydrophobicContact CD1-CE1 4.09Å; L1074-Y1226 HydrophobicContact CD1-CE2 4.21Å; L1074-Y1226 HydrophobicContact CD1-CG 3.59Å; L1074-Y1226 HydrophobicContact CD2-CD2 3.88Å; L1074-Y1226 HydrophobicContact CD2-CE2 3.67Å; L1074-Y1226 HydrophobicContact CD2-CG 4.46Å |
| 1075 | I | 67.3 | Low | 77.7 | Confident | 85 Ų | 85 | 71.2 Ų | 71.2 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.4 | 176.8 | -63.1 | -179.6 | 0 | 0 | 0 | 108.1 | K1073 K1077 Q1078 S1080 | K1073-I1075 HydrophobicContact CG-CG1 4.27Å; I1075-K1077 VanDerWaalsContact C-N 3.26Å; I1075-K1077 PolarHBondContact O-N 2.73Å; I1075-Q1078 PolarHBondContact N-O 2.92Å; I1075-Q1078 PolarHBondContact O-N 2.85Å; I1075-S1080 VanDerWaalsContact CD1-OG 3.31Å; I1075-S1080 WeakPolarHBondContact CD1-OG 3.44Å; I1075-S1080 WeakPolarHBondContact CG1-OG 3.31Å |
| 1076 | K | 68.3 | Low | 77.3 | Confident | 197 Ų | 197 | 74.5 Ų | 74.5 | 86% | 0.857 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 40.2 | -178.5 | -59.4 | 179.7 | 179 | 178 | 0 | 113.8 | Q1078 | K1076-Q1078 PolarHBondContact O-N 3.49Š|
| 1077 | K | 62.5 | Low | 77 | Confident | 119 Ų | 119 | 74.1 Ų | 74.1 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 12.7 | -172.7 | -68.4 | -176.9 | 167.5 | -76.7 | 0 | 115.7 | I1075 D1180 Y1226 | I1075-K1077 VanDerWaalsContact C-N 3.26Å; I1075-K1077 PolarHBondContact O-N 2.73Å; K1077-D1180 IonicContact NZ-OD1 2.61Å; K1077-D1180 PolarHBondContact NZ-OD1 2.96Å; K1077-D1180 IonicContact NZ-OD2 2.83Å; K1077-D1180 PolarHBondContact NZ-OD2 3.23Å; K1077-Y1226 HydrophobicContact CB-CE1 4.45Å; K1077-Y1226 WeakPolarHBondContact CG-OH 3.09Å; K1077-Y1226 PolarHBondContact NZ-OH 2.82Å |
| 1078 | Q | 58.8 | Low | 75.4 | Confident | 146 Ų | 146 | 75.3 Ų | 75.3 | 68% | 0.682 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 142.4 | 167.1 | -64 | -177.5 | -55.1 | 0 | 0 | 109.9 | I1075 K1076 | I1075-Q1078 PolarHBondContact N-O 2.92Å; I1075-Q1078 PolarHBondContact O-N 2.85Å; K1076-Q1078 PolarHBondContact O-N 3.49Å |
| 1079 | L | 70.2 | Confident | 74 | Confident | 70 Ų | 70 | 77.6 Ų | 77.6 | 37% | 0.366 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 136.2 | 173.9 | -170.4 | 66.7 | 0 | 0 | 0 | 109.7 | F1072 V1227 | F1072-L1079 HydrophobicContact CB-CD1 4.11Å; F1072-L1079 HydrophobicContact CD1-CD1 3.89Å; F1072-L1079 HydrophobicContact CD1-CD2 3.85Å; F1072-L1079 HydrophobicContact CD1-CG 3.98Å; F1072-L1079 HydrophobicContact CE1-CD2 3.89Å; F1072-L1079 HydrophobicContact CE1-CG 4.46Å; F1072-L1079 HydrophobicContact CG-CD1 4.28Å; L1079-V1227 HydrophobicContact CD1-CG2 3.93Å; L1079-V1227 HydrophobicContact CD2-CG1 4.42Å; L1079-V1227 HydrophobicContact CD2-CG2 4.41Å |
| 1080 | S | 70.9 | Confident | 71.8 | Confident | 33 Ų | 33 | 80 Ų | 80 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 174.9 | 179.7 | 68.7 | 0 | 0 | 0 | 0 | 110.3 | K1073 I1075 | K1073-S1080 PolarHBondContact N-O 3.01Å; K1073-S1080 CarbonylContact O-C 3.48Å; K1073-S1080 WeakPolarHBondContact O-CA 3.16Å; K1073-S1080 PolarHBondContact O-N 3.42Å; K1073-S1080 PolarHBondContact O-OG 3.48Å; I1075-S1080 VanDerWaalsContact CD1-OG 3.31Å; I1075-S1080 WeakPolarHBondContact CD1-OG 3.44Å; I1075-S1080 WeakPolarHBondContact CG1-OG 3.31Å |
| 1081 | Y | 81.2 | Confident | 69.5 | Low | 92 Ų | 92 | 77.6 Ų | 77.6 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 144.2 | 175.3 | -65.6 | -64.5 | 0 | 0 | 0 | 111 | F1072 L1118 | F1072-Y1081 HydrophobicContact CD1-CD1 4.1Å; F1072-Y1081 AromaticContact CD1-CE1 3.64Å; F1072-Y1081 HydrophobicContact CD1-CE1 3.64Å; F1072-Y1081 HydrophobicContact CE1-CD1 4.26Å; F1072-Y1081 AromaticContact CE1-CE1 3.35Å; F1072-Y1081 HydrophobicContact CE1-CE1 3.35Å; F1072-Y1081 AromaticContact CE1-CZ 3.92Å; F1072-Y1081 HydrophobicContact CZ-CE1 4.16Å; Y1081-L1118 HydrophobicContact CD1-CB 3.73Å; Y1081-L1118 HydrophobicContact CD2-CD2 4.35Å; Y1081-L1118 HydrophobicContact CE1-CB 3.57Å; Y1081-L1118 HydrophobicContact CE2-CB 4.41Å; Y1081-L1118 HydrophobicContact CE2-CD2 4.28Å; Y1081-L1118 HydrophobicContact CG-CB 4.23Å |
| 1082 | G | 75 | Confident | 67.8 | Low | 19 Ų | 19 | 76.9 Ų | 76.9 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | trans | -72.7 | -162.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P1071 | P1071-G1082 PolarHBondContact O-N 3.12Š| ||
| 1083 | L | 72.6 | Confident | 66.3 | Low | 143 Ų | 143 | 82.6 Ų | 82.6 | 75% | 0.749 | 41% | 0.405 | S | S | * | . | trans | -63.1 | 155.4 | 173.7 | -67.5 | 174 | 0 | 0 | 0 | 110.8 | R1070 | R1070-L1083 WeakPolarHBondContact CA-O 3.35Å; R1070-L1083 WeakPolarHBondContact CG-O 3.32Å | ||
| 1084 | K | 78.3 | Confident | 66 | Low | 75 Ų | 75 | 80 Ų | 80 | 33% | 0.326 | 40% | 0.397 | S | S | . | . | trans | -86 | 113.7 | 174.8 | 178.2 | 179.6 | 159.4 | -77.2 | 0 | 108.5 | F1068 Y1069 R1070 | F1068-K1084 HydrophobicContact CB-CG 4.06Å; F1068-K1084 HydrophobicContact CD1-CD 4.36Å; F1068-K1084 HydrophobicContact CD1-CG 4.16Å; F1068-K1084 HydrophobicContact CG-CD 4.41Å; F1068-K1084 VanDerWaalsContact CG-CE 3.46Å; F1068-K1084 HydrophobicContact CG-CG 4.3Å; Y1069-K1084 WeakPolarHBondContact O-CA 3.25Å; R1070-K1084 HydrophobicContact CG-CB 4.3Å | ||
| 1085 | E | 74.7 | Confident | 65.9 | Low | 101 Ų | 101 | 77.9 Ų | 77.9 | 47% | 0.472 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144.2 | 174.6 | -69.5 | 158.9 | -161.9 | 0 | 0 | 108.9 | F1068 Y1069 | F1068-E1085 CarbonylContact C-O 3.53Å; F1068-E1085 WeakPolarHBondContact CA-O 2.98Å; F1068-E1085 WeakPolarHBondContact CB-O 3.31Å; Y1069-E1085 PolarHBondContact N-O 3.3Å; Y1069-E1085 PolarHBondContact O-N 2.85Å |
| 1086 | R | 80.1 | Confident | 66.3 | Low | 95 Ų | 95 | 76.3 Ų | 76.3 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 142.2 | 168.4 | -174.6 | 170.1 | 169.5 | -155.2 | -6.5 | 109.2 | E712 D713 F1068 N1088 | E712-R1086 IonicContact OE2-NH1 3.19Å; E712-R1086 PolarHBondContact OE2-NH1 2.87Å; D713-R1086 WeakPolarHBondContact OD1-CD 3.43Å; D713-R1086 IonicContact OD1-NH1 2.67Å; D713-R1086 WeakPolarHBondContact OD2-CB 3.49Å; F1068-R1086 HydrophobicContact CD1-CB 3.94Å; F1068-R1086 HydrophobicContact CD1-CG 4.3Å; F1068-R1086 HydrophobicContact CE1-CB 3.95Å; F1068-R1086 HydrophobicContact CE1-CG 4.03Å; R1086-N1088 PolarHBondContact O-N 3.14Å |
| 1087 | I | 77.7 | Confident | 67.1 | Low | 18 Ų | 18 | 69.3 Ų | 69.3 | 9% | 0.092 | 35% | 0.351 | C | S | . | . | trans | -87.4 | 110.6 | 179.1 | -54.9 | -177.7 | 0 | 0 | 0 | 108.6 | W1067 F1089 I1095 L1106 Y1119 | W1067-I1087 HydrophobicContact CB-CB 4.25Å; W1067-I1087 HydrophobicContact CB-CD1 4.07Å; W1067-I1087 HydrophobicContact CB-CG1 4.3Å; W1067-I1087 PolarHBondContact O-N 3.07Å; I1087-F1089 HydrophobicContact CB-CE1 4.05Å; I1087-F1089 HydrophobicContact CB-CZ 4.48Å; I1087-F1089 HydrophobicContact CG2-CD1 4.04Å; I1087-F1089 HydrophobicContact CG2-CE1 3.65Å; I1087-I1095 HydrophobicContact CG2-CD1 4.06Å; I1087-I1095 HydrophobicContact CG2-CG2 4.36Å; I1087-L1106 HydrophobicContact CD1-CD2 3.66Å; I1087-Y1119 HydrophobicContact CD1-CD1 3.66Å; I1087-Y1119 HydrophobicContact CD1-CE1 3.72Å | ||
| 1088 | N | 59.3 | Low | 68.1 | Low | 27 Ų | 27 | 66.2 Ų | 66.2 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | trans | -80.7 | 129.4 | 168.7 | -72.5 | 22.6 | 0 | 0 | 0 | 110 | V633 E637 N709 R1086 | V633-N1088 VanDerWaalsContact CG1-ND2 3.32Å; V633-N1088 WeakPolarHBondContact CG1-ND2 3.16Å; E637-N1088 WeakPolarHBondContact OE1-CB 3.12Å; E637-N1088 PolarHBondContact OE1-ND2 3.31Å; N709-N1088 PolarHBondContact ND2-ND2 2.76Å; N709-N1088 PolarHBondContact OD1-ND2 2.94Å; R1086-N1088 PolarHBondContact O-N 3.14Å | ||
| 1089 | F | 58.4 | Low | 69.2 | Low | 63 Ų | 63 | 61 Ų | 61 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -88.9 | -8.6 | -178.2 | -52.3 | -54.8 | 0 | 0 | 0 | 113.6 | W1067 I1087 I1095 E1097 L1106 | W1067-F1089 HydrophobicContact CB-CZ 4.12Å; W1067-F1089 AromaticContact CD1-CZ 3.63Å; W1067-F1089 HydrophobicContact CG-CZ 4.12Å; I1087-F1089 HydrophobicContact CB-CE1 4.05Å; I1087-F1089 HydrophobicContact CB-CZ 4.48Å; I1087-F1089 HydrophobicContact CG2-CD1 4.04Å; I1087-F1089 HydrophobicContact CG2-CE1 3.65Å; F1089-I1095 HydrophobicContact CD1-CG2 4.01Å; F1089-E1097 HydrophobicContact CD1-CB 4.06Å; F1089-E1097 HydrophobicContact CD2-CB 4.13Å; F1089-E1097 HydrophobicContact CE1-CB 4.13Å; F1089-E1097 HydrophobicContact CE2-CB 4.17Å; F1089-E1097 VanDerWaalsContact CE2-CD 3.45Å; F1089-E1097 HydrophobicContact CE2-CG 4.26Å; F1089-E1097 VanDerWaalsContact CE2-OE2 3.32Å; F1089-E1097 WeakPolarHBondContact CE2-OE2 3.38Å; F1089-E1097 HydrophobicContact CG-CB 4.08Å; F1089-E1097 HydrophobicContact CZ-CB 4.18Å; F1089-E1097 HydrophobicContact CZ-CG 4.2Å; F1089-L1106 HydrophobicContact CD1-CD1 4.13Å; F1089-L1106 HydrophobicContact CE1-CD1 3.63Å |
| 1090 | T | 42.8 | Very low | 69.8 | Low | 68 Ų | 68 | 60.4 Ų | 60.4 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -100.4 | -11.2 | -165.9 | 11.6 | 0 | 0 | 0 | 0 | 112.8 | E637 | E637-T1090 VanDerWaalsContact CD-OG1 3.27Å; E637-T1090 WeakPolarHBondContact OE2-CB 3.34Å; E637-T1090 PolarHBondContact OE2-OG1 2.85Å |
| 1091 | C | 40.2 | Very low | 70.1 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 31% | 0.311 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -102.1 | 2.1 | -177.7 | -150.8 | 0 | 0 | 0 | 0 | 115.3 | E637 L705 | E637-C1091 HydrophobicContact CG-CB 4.18Å; E637-C1091 WeakPolarHBondContact OE1-CB 3.1Å; L705-C1091 HydrophobicContact CD2-CB 4.36Å |
| 1092 | S | 50.9 | Low | 69.9 | Low | 23 Ų | 23 | 61.9 Ų | 61.9 | 16% | 0.161 | 32% | 0.323 | C | S | . | . | trans | -153.4 | 119.4 | -177.6 | 168 | 0 | 0 | 0 | 0 | 112.3 | D1094 I1095 | S1092-D1094 PolarHBondContact O-N 3.23Å; S1092-D1094 VanDerWaalsContact O-N 3.09Å; S1092-D1094 WeakPolarHBondContact OG-CB 3.18Å; S1092-D1094 PolarHBondContact OG-N 3.04Å; S1092-D1094 PolarHBondContact OG-OD2 3.06Å; S1092-I1095 PolarHBondContact O-N 3.31Å | ||
| 1093 | N | 53.6 | Low | 70.5 | Confident | 137 Ų | 137 | 63.3 Ų | 63.3 | 73% | 0.733 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.8 | 172.6 | -72.2 | -30.6 | 0 | 0 | 0 | 113.3 | K1109 | N1093-K1109 WeakPolarHBondContact O-CD 3.33Å; N1093-K1109 WeakPolarHBondContact O-CE 2.97Å; N1093-K1109 PolarHBondContact O-NZ 3.46Å |
| 1094 | D | 68.4 | Low | 71.2 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 35% | 0.348 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -15.9 | -179.6 | -40.6 | -72.3 | 0 | 0 | 0 | 112.6 | S1092 I1108 K1109 | S1092-D1094 PolarHBondContact O-N 3.23Å; S1092-D1094 VanDerWaalsContact O-N 3.09Å; S1092-D1094 WeakPolarHBondContact OG-CB 3.18Å; S1092-D1094 PolarHBondContact OG-N 3.04Å; S1092-D1094 PolarHBondContact OG-OD2 3.06Å; D1094-I1108 CarbonylContact O-C 3.6Å; D1094-I1108 WeakPolarHBondContact O-CA 3.38Å; D1094-K1109 PolarHBondContact O-N 3.05Å |
| 1095 | I | 72.9 | Confident | 71.7 | Confident | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 136.6 | 178.9 | -47.4 | 177.6 | 0 | 0 | 0 | 109.3 | I1087 F1089 S1092 L1106 M1107 | I1087-I1095 HydrophobicContact CG2-CD1 4.06Å; I1087-I1095 HydrophobicContact CG2-CG2 4.36Å; F1089-I1095 HydrophobicContact CD1-CG2 4.01Å; S1092-I1095 PolarHBondContact O-N 3.31Å; I1095-L1106 HydrophobicContact CG2-CD1 3.4Å; I1095-L1106 HydrophobicContact CG2-CG 4.49Å; I1095-M1107 WeakPolarHBondContact CA-O 3.06Å |
| 1096 | V | 76.5 | Confident | 72.4 | Confident | 53 Ų | 53 | 48.7 Ų | 48.7 | 32% | 0.321 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 126.4 | 173.6 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | L1106 M1107 | V1096-L1106 WeakPolarHBondContact O-CA 3.39Å; V1096-M1107 HydrophobicContact CB-CB 4.37Å; V1096-M1107 PolarHBondContact N-O 3.03Å; V1096-M1107 PolarHBondContact O-N 2.69Å |
| 1097 | E | 84.4 | Confident | 72.6 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 23% | 0.234 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 149.1 | 169.2 | -165.6 | -175.3 | -145 | 0 | 0 | 110.9 | W1067 F1089 I1099 E1105 | W1067-E1097 PolarHBondContact NE1-OE1 2.81Å; F1089-E1097 HydrophobicContact CD1-CB 4.06Å; F1089-E1097 HydrophobicContact CD2-CB 4.13Å; F1089-E1097 HydrophobicContact CE1-CB 4.13Å; F1089-E1097 HydrophobicContact CE2-CB 4.17Å; F1089-E1097 VanDerWaalsContact CE2-CD 3.45Å; F1089-E1097 HydrophobicContact CE2-CG 4.26Å; F1089-E1097 VanDerWaalsContact CE2-OE2 3.32Å; F1089-E1097 WeakPolarHBondContact CE2-OE2 3.38Å; F1089-E1097 HydrophobicContact CG-CB 4.08Å; F1089-E1097 HydrophobicContact CZ-CB 4.18Å; F1089-E1097 HydrophobicContact CZ-CG 4.2Å; E1097-I1099 HydrophobicContact CG-CD1 4.49Å; E1097-I1099 HydrophobicContact CG-CG1 4.15Å; E1097-I1099 WeakPolarHBondContact OE2-CD1 3.47Å; E1097-E1105 CarbonylContact C-O 3.55Å; E1097-E1105 WeakPolarHBondContact CA-O 3.47Å; E1097-E1105 WeakPolarHBondContact CG-O 3.35Å |
| 1098 | T | 82.4 | Confident | 73.1 | Confident | 53 Ų | 53 | 46 Ų | 46 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 118.8 | 168.5 | -73.8 | 0 | 0 | 0 | 0 | 110.6 | Y1103 A1104 E1105 | T1098-Y1103 HydrophobicContact CG2-CE2 4.34Å; T1098-A1104 CarbonylContact O-C 3.58Å; T1098-A1104 WeakPolarHBondContact O-CA 3.48Å; T1098-E1105 PolarHBondContact N-O 2.84Å; T1098-E1105 PolarHBondContact O-N 2.85Å |
| 1099 | I | 83.3 | Confident | 74 | Confident | 37 Ų | 37 | 49 Ų | 49 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 121.6 | -179.9 | -56.4 | 163.5 | 0 | 0 | 0 | 110.5 | K1060 F1063 V1065 E1097 A1104 | K1060-I1099 PolarHBondContact NZ-O 3.06Å; F1063-I1099 HydrophobicContact CE2-CG2 3.88Å; F1063-I1099 HydrophobicContact CZ-CG2 4.16Å; V1065-I1099 HydrophobicContact CB-CD1 3.77Å; V1065-I1099 HydrophobicContact CB-CG1 4.2Å; V1065-I1099 HydrophobicContact CG1-CD1 4.43Å; V1065-I1099 HydrophobicContact CG1-CG1 4.5Å; V1065-I1099 HydrophobicContact CG2-CD1 4.03Å; V1065-I1099 HydrophobicContact CG2-CG1 4.14Å; V1065-I1099 HydrophobicContact CG2-CG2 3.9Å; E1097-I1099 HydrophobicContact CG-CD1 4.49Å; E1097-I1099 HydrophobicContact CG-CG1 4.15Å; E1097-I1099 WeakPolarHBondContact OE2-CD1 3.47Å; I1099-A1104 HydrophobicContact CG1-CB 4.38Å |
| 1100 | K | 82.8 | Confident | 74.9 | Confident | 58 Ų | 58 | 49.8 Ų | 49.8 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | trans | -113.8 | 175.1 | 168.6 | -65.3 | -69.5 | -170.5 | 169.2 | 0 | 109.8 | N151 F1063 D1102 Y1103 | N151-K1100 PolarHBondContact OD1-NZ 3.44Å; F1063-K1100 WeakPolarHBondContact CZ-O 3.2Å; K1100-D1102 VanDerWaalsContact C-N 3.28Å; K1100-D1102 WeakPolarHBondContact CB-OD1 3.38Å; K1100-D1102 PolarHBondContact O-N 3.35Å; K1100-Y1103 CarbonylContact C-O 3.5Å; K1100-Y1103 WeakPolarHBondContact CA-O 3.32Å; K1100-Y1103 HydrophobicContact CB-CD1 3.89Å; K1100-Y1103 HydrophobicContact CB-CE1 3.79Å; K1100-Y1103 HydrophobicContact CB-CG 4.38Å; K1100-Y1103 HydrophobicContact CG-CD1 4.13Å; K1100-Y1103 HydrophobicContact CG-CE1 3.5Å; K1100-Y1103 VanDerWaalsContact CG-CE1 3.5Å; K1100-Y1103 HydrophobicContact CG-CE2 4.26Å; K1100-Y1103 PolarHBondContact N-O 3.25Å | ||
| 1101 | I | 77.7 | Confident | 76.8 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 41% | 0.41 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -69.3 | -29.1 | -176.4 | -60.8 | 174.4 | 0 | 0 | 0 | 111.8 | F1054 P1057 K1060 | F1054-I1101 VanDerWaalsContact CE2-O 3.23Å; F1054-I1101 WeakPolarHBondContact CE2-O 3.36Å; P1057-I1101 WeakPolarHBondContact O-CG2 3.09Å; K1060-I1101 HydrophobicContact CB-CG1 4.4Å |
| 1102 | D | 76.3 | Confident | 78.8 | Confident | 76 Ų | 76 | 46 Ų | 46 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -110.4 | -13.6 | -173 | 64.1 | -49 | 0 | 0 | 0 | 113.8 | S1053 F1054 K1100 | S1053-D1102 CarbonylContact C-O 3.56Å; S1053-D1102 VanDerWaalsContact CA-O 3.25Å; S1053-D1102 WeakPolarHBondContact CA-O 3.25Å; F1054-D1102 PolarHBondContact N-O 3.31Å; F1054-D1102 WeakPolarHBondContact O-CA 3.4Å; K1100-D1102 VanDerWaalsContact C-N 3.28Å; K1100-D1102 WeakPolarHBondContact CB-OD1 3.38Å; K1100-D1102 PolarHBondContact O-N 3.35Å |
| 1103 | Y | 87.2 | Confident | 80.2 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 159 | 175.7 | 78.6 | -94.6 | 0 | 0 | 0 | 113.9 | Q1051 C1052 T1098 K1100 E1105 | Q1051-Y1103 HydrophobicContact CG-CD2 3.92Å; C1052-Y1103 CarbonylContact O-C 3.54Å; C1052-Y1103 VanDerWaalsContact O-CA 3.23Å; C1052-Y1103 WeakPolarHBondContact O-CA 3.18Å; C1052-Y1103 WeakPolarHBondContact O-CB 3.35Å; T1098-Y1103 HydrophobicContact CG2-CE2 4.34Å; K1100-Y1103 CarbonylContact C-O 3.5Å; K1100-Y1103 WeakPolarHBondContact CA-O 3.32Å; K1100-Y1103 HydrophobicContact CB-CD1 3.89Å; K1100-Y1103 HydrophobicContact CB-CE1 3.79Å; K1100-Y1103 HydrophobicContact CB-CG 4.38Å; K1100-Y1103 HydrophobicContact CG-CD1 4.13Å; K1100-Y1103 HydrophobicContact CG-CE1 3.5Å; K1100-Y1103 VanDerWaalsContact CG-CE1 3.5Å; K1100-Y1103 HydrophobicContact CG-CE2 4.26Å; K1100-Y1103 PolarHBondContact N-O 3.25Å; Y1103-E1105 HydrophobicContact CD2-CB 4.16Å; Y1103-E1105 HydrophobicContact CE2-CB 3.96Å; Y1103-E1105 WeakPolarHBondContact CE2-OE2 3.47Å |
| 1104 | A | 86.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q1051 C1052 F1054 V1065 T1098 I1099 I1121 | Q1051-A1104 WeakPolarHBondContact CA-O 3.33Å; C1052-A1104 PolarHBondContact N-O 3.01Å; C1052-A1104 PolarHBondContact O-N 3.25Å; F1054-A1104 HydrophobicContact CE1-CB 4.12Å; V1065-A1104 HydrophobicContact CG1-CB 3.99Å; V1065-A1104 HydrophobicContact CG2-CB 4.16Å; T1098-A1104 CarbonylContact O-C 3.58Å; T1098-A1104 WeakPolarHBondContact O-CA 3.48Å; I1099-A1104 HydrophobicContact CG1-CB 4.38Å; A1104-I1121 HydrophobicContact CB-CD1 3.66Å |
| 1105 | E | 89.3 | Confident | 82.2 | Confident | 13 Ų | 13 | 46 Ų | 46 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141 | -166.6 | 172.7 | 175.6 | 168.7 | 0 | 0 | 111.1 | K1049 L1050 Q1051 E1097 T1098 Y1103 | K1049-E1105 HydrophobicContact CD-CG 4.47Å; K1049-E1105 WeakPolarHBondContact CD-OE1 3.2Å; K1049-E1105 WeakPolarHBondContact CE-OE1 3.28Å; K1049-E1105 VanDerWaalsContact CE-OE2 3.31Å; K1049-E1105 WeakPolarHBondContact CE-OE2 3.21Å; K1049-E1105 HydrophobicContact CG-CG 4.11Å; K1049-E1105 IonicContact NZ-OE1 3.93Å; K1049-E1105 PolarHBondContact NZ-OE1 3.44Å; K1049-E1105 IonicContact NZ-OE2 3.94Å; K1049-E1105 PolarHBondContact NZ-OE2 3.24Å; L1050-E1105 CarbonylContact O-C 3.51Å; L1050-E1105 WeakPolarHBondContact O-CA 3.37Å; Q1051-E1105 HydrophobicContact CG-CB 4.31Å; E1097-E1105 CarbonylContact C-O 3.55Å; E1097-E1105 WeakPolarHBondContact CA-O 3.47Å; E1097-E1105 WeakPolarHBondContact CG-O 3.35Å; T1098-E1105 PolarHBondContact N-O 2.84Å; T1098-E1105 PolarHBondContact O-N 2.85Å; Y1103-E1105 HydrophobicContact CD2-CB 4.16Å; Y1103-E1105 HydrophobicContact CE2-CB 3.96Å; Y1103-E1105 WeakPolarHBondContact CE2-OE2 3.47Å |
| 1106 | L | 89.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 115.7 | 174.5 | 178.3 | 65.8 | 0 | 0 | 0 | 108.9 | L1050 W1067 I1087 F1089 I1095 V1096 Y1119 | L1050-L1106 HydrophobicContact CB-CB 4.31Å; L1050-L1106 HydrophobicContact CD1-CD2 4.27Å; L1050-L1106 PolarHBondContact N-O 3.17Å; L1050-L1106 PolarHBondContact O-N 3.41Å; W1067-L1106 HydrophobicContact CD2-CB 3.99Å; W1067-L1106 HydrophobicContact CD2-CD2 3.86Å; W1067-L1106 HydrophobicContact CD2-CG 4.48Å; W1067-L1106 HydrophobicContact CE3-CB 3.97Å; W1067-L1106 HydrophobicContact CE3-CD2 3.58Å; W1067-L1106 HydrophobicContact CE3-CG 4.42Å; W1067-L1106 HydrophobicContact CG-CD2 4.33Å; W1067-L1106 HydrophobicContact CH2-CB 3.48Å; W1067-L1106 VanDerWaalsContact CH2-CB 3.48Å; W1067-L1106 HydrophobicContact CZ2-CB 3.51Å; W1067-L1106 HydrophobicContact CZ3-CB 3.73Å; W1067-L1106 HydrophobicContact CZ3-CD2 3.96Å; I1087-L1106 HydrophobicContact CD1-CD2 3.66Å; F1089-L1106 HydrophobicContact CD1-CD1 4.13Å; F1089-L1106 HydrophobicContact CE1-CD1 3.63Å; I1095-L1106 HydrophobicContact CG2-CD1 3.4Å; I1095-L1106 HydrophobicContact CG2-CG 4.49Å; V1096-L1106 WeakPolarHBondContact O-CA 3.39Å; L1106-Y1119 HydrophobicContact CD2-CD1 4.11Å; L1106-Y1119 HydrophobicContact CD2-CE1 4.39Å |
| 1107 | M | 85.2 | Confident | 83.4 | Confident | 53 Ų | 53 | 43 Ų | 43 | 26% | 0.261 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.1 | 177.6 | -173.7 | -175.4 | -65.5 | 0 | 0 | 110 | M1047 I1048 I1095 V1096 | M1047-M1107 HydrophobicContact CG-CG 4.38Å; M1047-M1107 HydrophobicContact SD-SD 4Å; I1048-M1107 WeakPolarHBondContact O-CA 3.29Å; I1095-M1107 WeakPolarHBondContact CA-O 3.06Å; V1096-M1107 HydrophobicContact CB-CB 4.37Å; V1096-M1107 PolarHBondContact N-O 3.03Å; V1096-M1107 PolarHBondContact O-N 2.69Å |
| 1108 | I | 87.8 | Confident | 83.7 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 114.6 | 171.1 | -64.1 | 167.6 | 0 | 0 | 0 | 107.2 | M1047 I1048 D1094 V1111 Y1119 | M1047-I1108 WeakPolarHBondContact CA-O 3.09Å; I1048-I1108 HydrophobicContact CD1-CB 4.17Å; I1048-I1108 HydrophobicContact CD1-CD1 4.2Å; I1048-I1108 HydrophobicContact CG1-CB 3.76Å; I1048-I1108 PolarHBondContact N-O 3.3Å; I1048-I1108 PolarHBondContact O-N 3.43Å; D1094-I1108 CarbonylContact O-C 3.6Å; D1094-I1108 WeakPolarHBondContact O-CA 3.38Å; I1108-V1111 HydrophobicContact CG2-CG2 4.07Å; I1108-Y1119 HydrophobicContact CD1-CE1 3.94Å |
| 1109 | K | 77.9 | Confident | 84.2 | Confident | 90 Ų | 90 | 38.9 Ų | 38.9 | 39% | 0.391 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -74.4 | -27.4 | -169.4 | -65 | 178 | -173.5 | 159.5 | 0 | 114.4 | M1047 N1093 D1094 | M1047-K1109 HydrophobicContact CE-CB 4.29Å; M1047-K1109 HydrophobicContact CE-CG 4.29Å; N1093-K1109 WeakPolarHBondContact O-CD 3.33Å; N1093-K1109 WeakPolarHBondContact O-CE 2.97Å; N1093-K1109 PolarHBondContact O-NZ 3.46Å; D1094-K1109 PolarHBondContact O-N 3.05Å |
| 1110 | N | 77.6 | Confident | 84.5 | Confident | 80 Ų | 80 | 38.3 Ų | 38.3 | 43% | 0.428 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -143.5 | 99.3 | -175.3 | 179.7 | 1.1 | 0 | 0 | 0 | 108.7 | ||
| 1111 | V | 82.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | trans | -79.5 | 124 | -178.8 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | G1045 D1046 I1048 I1108 L1138 I1140 | G1045-V1111 PolarHBondContact N-O 2.68Å; D1046-V1111 WeakPolarHBondContact O-CB 3.45Å; D1046-V1111 VanDerWaalsContact O-CG2 3.31Å; D1046-V1111 WeakPolarHBondContact O-CG2 3.03Å; D1046-V1111 PolarHBondContact O-N 3.06Å; I1048-V1111 HydrophobicContact CB-CG2 4.25Å; I1048-V1111 HydrophobicContact CD1-CG2 3.54Å; I1048-V1111 HydrophobicContact CG1-CG2 3.55Å; I1048-V1111 HydrophobicContact CG2-CG2 3.79Å; I1108-V1111 HydrophobicContact CG2-CG2 4.07Å; V1111-L1138 HydrophobicContact CG1-CD2 4.17Å; V1111-L1138 HydrophobicContact CG2-CD2 4.44Å; V1111-I1140 HydrophobicContact CG1-CD1 3.61Å; V1111-I1140 HydrophobicContact CG1-CG1 3.86Å | ||
| 1112 | T | 81.8 | Confident | 85.4 | Confident | 32 Ų | 32 | 33.2 Ų | 33.2 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | trans | -112 | 158.7 | 176.9 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | Y1114 R1115 I1140 | T1112-Y1114 HydrophobicContact CG2-CE1 3.85Å; T1112-Y1114 PolarHBondContact O-N 3.18Å; T1112-Y1114 WeakPolarHBondContact OG1-CD1 3.28Å; T1112-Y1114 WeakPolarHBondContact OG1-CE1 3.14Å; T1112-Y1114 WeakPolarHBondContact OG1-CE2 3.36Å; T1112-R1115 WeakPolarHBondContact O-CB 3.45Å; T1112-R1115 PolarHBondContact O-N 3.48Å; T1112-R1115 WeakPolarHBondContact OG1-CG 3.23Å; T1112-I1140 WeakPolarHBondContact O-CD1 3.38Å | ||
| 1113 | A | 80.3 | Confident | 86 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 25% | 0.248 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -50.3 | -35.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | L1044 R1115 A1116 C1176 | L1044-A1113 HydrophobicContact CD2-CB 4.28Å; L1044-A1113 VanDerWaalsContact CD2-N 3.33Å; A1113-R1115 VanDerWaalsContact C-N 3.27Å; A1113-R1115 PolarHBondContact O-N 3.44Å; A1113-A1116 PolarHBondContact O-N 2.83Å; A1113-C1176 VanDerWaalsContact O-CB 3.25Å; A1113-C1176 WeakPolarHBondContact O-CB 3.43Å |
| 1114 | Y | 79.3 | Confident | 85.7 | Confident | 155 Ų | 155 | 30.6 Ų | 30.6 | 61% | 0.608 | 14% | 0.143 | S | C | * | . | G | 310 helix | trans | -75.2 | -7.9 | -178.8 | 68 | -105.8 | 0 | 0 | 0 | 114.8 | Y1069 T1112 | Y1069-Y1114 PolarHBondContact OH-O 2.91Å; T1112-Y1114 HydrophobicContact CG2-CE1 3.85Å; T1112-Y1114 PolarHBondContact O-N 3.18Å; T1112-Y1114 WeakPolarHBondContact OG1-CD1 3.28Å; T1112-Y1114 WeakPolarHBondContact OG1-CE1 3.14Å; T1112-Y1114 WeakPolarHBondContact OG1-CE2 3.36Å |
| 1115 | R | 84.1 | Confident | 85.1 | Confident | 42 Ų | 42 | 30.9 Ų | 30.9 | 16% | 0.158 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -86.4 | -8.7 | 176.3 | -65.5 | -70.5 | -173.5 | -178.2 | 1 | 113.7 | Y1069 T1112 A1113 G1117 Y1119 L1138 | Y1069-R1115 VanDerWaalsContact CE2-O 3.27Å; Y1069-R1115 WeakPolarHBondContact CE2-O 3.36Å; Y1069-R1115 WeakPolarHBondContact OH-CA 3.28Å; Y1069-R1115 PolarHBondContact OH-O 2.88Å; T1112-R1115 WeakPolarHBondContact O-CB 3.45Å; T1112-R1115 PolarHBondContact O-N 3.48Å; T1112-R1115 WeakPolarHBondContact OG1-CG 3.23Å; A1113-R1115 VanDerWaalsContact C-N 3.27Å; A1113-R1115 PolarHBondContact O-N 3.44Å; R1115-G1117 PolarHBondContact O-N 2.64Å; R1115-Y1119 WeakPolarHBondContact O-CE2 3.3Å; R1115-Y1119 PolarHBondContact O-OH 2.88Å; R1115-L1138 HydrophobicContact CB-CD2 4.08Å; R1115-L1138 WeakPolarHBondContact O-CD2 3.49Å |
| 1116 | A | 86.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | trans | -74.3 | 121.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1069 F1072 A1113 L1138 I1140 C1176 | Y1069-A1116 PolarHBondContact OH-N 3.03Å; Y1069-A1116 PolarHBondContact OH-O 2.67Å; Y1069-A1116 VanDerWaalsContact OH-O 3.12Å; F1072-A1116 VanDerWaalsContact CD2-C 3.41Å; F1072-A1116 HydrophobicContact CD2-CB 3.88Å; F1072-A1116 WeakPolarHBondContact CD2-O 3.48Å; F1072-A1116 HydrophobicContact CE2-CB 4.2Å; F1072-A1116 PolarHBondContact N-O 3.07Å; F1072-A1116 VanDerWaalsContact N-O 3.08Å; A1113-A1116 PolarHBondContact O-N 2.83Å; A1116-L1138 CarbonylContact C-O 3.55Å; A1116-L1138 VanDerWaalsContact CA-O 3.28Å; A1116-L1138 WeakPolarHBondContact CA-O 3.27Å; A1116-I1140 HydrophobicContact CB-CD1 3.98Å; A1116-I1140 HydrophobicContact CB-CG1 4.24Å; A1116-C1176 HydrophobicContact CB-CB 4.07Å | ||
| 1117 | G | 89.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.7 | -169.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1070 R1115 S1137 L1138 | R1070-G1117 CarbonylContact O-C 3.09Å; R1070-G1117 WeakPolarHBondContact O-CA 3.49Å; R1115-G1117 PolarHBondContact O-N 2.64Å; G1117-S1137 CarbonylContact O-C 3.58Å; G1117-S1137 WeakPolarHBondContact O-CA 3.44Å; G1117-L1138 PolarHBondContact N-O 3.34Å; G1117-L1138 PolarHBondContact O-N 3.45Å |
| 1118 | L | 89.9 | Confident | 81.6 | Confident | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.2 | 177.9 | -166.4 | 72.9 | 0 | 0 | 0 | 110.9 | Y1069 R1070 Y1081 N1135 | Y1069-L1118 CarbonylContact C-O 3.53Å; Y1069-L1118 WeakPolarHBondContact CA-O 2.95Å; R1070-L1118 HydrophobicContact CB-CB 4.33Å; R1070-L1118 PolarHBondContact N-O 3Å; R1070-L1118 PolarHBondContact O-N 2.93Å; Y1081-L1118 HydrophobicContact CD1-CB 3.73Å; Y1081-L1118 HydrophobicContact CD2-CD2 4.35Å; Y1081-L1118 HydrophobicContact CE1-CB 3.57Å; Y1081-L1118 HydrophobicContact CE2-CB 4.41Å; Y1081-L1118 HydrophobicContact CE2-CD2 4.28Å; Y1081-L1118 HydrophobicContact CG-CB 4.23Å; L1118-N1135 HydrophobicContact CD1-CB 4.14Å |
| 1119 | Y | 93.4 | Very high | 80.2 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 135.7 | 168.6 | -68.3 | -104.7 | 0 | 0 | 0 | 108.8 | L1050 F1068 Y1069 I1087 L1106 I1108 R1115 N1135 A1136 L1138 | L1050-Y1119 HydrophobicContact CD1-CD1 3.59Å; L1050-Y1119 HydrophobicContact CD1-CD2 4.11Å; L1050-Y1119 HydrophobicContact CD1-CE1 4.16Å; L1050-Y1119 HydrophobicContact CD1-CG 3.59Å; F1068-Y1119 CarbonylContact O-C 3.57Å; F1068-Y1119 WeakPolarHBondContact O-CA 3.48Å; Y1069-Y1119 HydrophobicContact CD2-CD1 4.27Å; Y1069-Y1119 AromaticContact CD2-CD2 3.99Å; Y1069-Y1119 HydrophobicContact CD2-CD2 3.99Å; Y1069-Y1119 AromaticContact CD2-CE1 3.88Å; Y1069-Y1119 HydrophobicContact CD2-CE1 3.88Å; Y1069-Y1119 AromaticContact CD2-CE2 3.53Å; Y1069-Y1119 HydrophobicContact CD2-CE2 3.53Å; Y1069-Y1119 HydrophobicContact CD2-CG 4.31Å; Y1069-Y1119 AromaticContact CD2-CZ 3.47Å; Y1069-Y1119 VanDerWaalsContact CD2-CZ 3.47Å; Y1069-Y1119 HydrophobicContact CE2-CD2 4.32Å; Y1069-Y1119 AromaticContact CE2-CE2 3.56Å; Y1069-Y1119 HydrophobicContact CE2-CE2 3.56Å; Y1069-Y1119 AromaticContact CE2-CZ 3.66Å; Y1069-Y1119 HydrophobicContact CG-CE1 4.48Å; I1087-Y1119 HydrophobicContact CD1-CD1 3.66Å; I1087-Y1119 HydrophobicContact CD1-CE1 3.72Å; L1106-Y1119 HydrophobicContact CD2-CD1 4.11Å; L1106-Y1119 HydrophobicContact CD2-CE1 4.39Å; I1108-Y1119 HydrophobicContact CD1-CE1 3.94Å; R1115-Y1119 WeakPolarHBondContact O-CE2 3.3Å; R1115-Y1119 PolarHBondContact O-OH 2.88Å; Y1119-N1135 CarbonylContact O-C 3.54Å; Y1119-N1135 VanDerWaalsContact O-CA 3.25Å; Y1119-N1135 WeakPolarHBondContact O-CA 3.32Å; Y1119-A1136 PolarHBondContact N-O 2.85Å; Y1119-A1136 PolarHBondContact O-N 2.95Å; Y1119-L1138 HydrophobicContact CD2-CB 4.04Å; Y1119-L1138 HydrophobicContact CE2-CB 3.66Å; Y1119-L1138 HydrophobicContact CE2-CD2 4.08Å |
| 1120 | T | 89.6 | Confident | 79.1 | Confident | 24 Ų | 24 | 45 Ų | 45 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.6 | 176.1 | -65.7 | 0 | 0 | 0 | 0 | 109.2 | W1067 F1068 S1134 N1135 | W1067-T1120 WeakPolarHBondContact CA-O 3.3Å; F1068-T1120 PolarHBondContact N-O 2.82Å; F1068-T1120 PolarHBondContact O-N 3.22Å; T1120-S1134 CarbonylContact C-O 3.32Å; T1120-S1134 WeakPolarHBondContact CA-O 3.36Å; T1120-N1135 WeakPolarHBondContact CB-OD1 3.48Å; T1120-N1135 VanDerWaalsContact CG2-OD1 3.31Å; T1120-N1135 WeakPolarHBondContact CG2-OD1 3.34Å; T1120-N1135 PolarHBondContact OG1-OD1 2.87Å |
| 1121 | I | 91.9 | Very high | 78.9 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 143.7 | 165.9 | -165 | -179.8 | 0 | 0 | 0 | 109.8 | L1037 C1052 V1065 S1066 W1067 A1104 I1123 K1133 S1134 | L1037-I1121 HydrophobicContact CD1-CB 3.95Å; L1037-I1121 HydrophobicContact CD1-CG2 3.68Å; L1037-I1121 HydrophobicContact CD2-CB 4.5Å; L1037-I1121 HydrophobicContact CD2-CG2 4.08Å; L1037-I1121 HydrophobicContact CG-CB 4.4Å; L1037-I1121 HydrophobicContact CG-CG2 3.72Å; C1052-I1121 HydrophobicContact CB-CD1 4.03Å; C1052-I1121 HydrophobicContact CB-CG2 3.95Å; V1065-I1121 HydrophobicContact CG1-CD1 3.82Å; V1065-I1121 HydrophobicContact CG1-CG1 3.87Å; S1066-I1121 CarbonylContact O-C 3.59Å; W1067-I1121 HydrophobicContact CD2-CB 4.11Å; W1067-I1121 HydrophobicContact CD2-CD1 4.33Å; W1067-I1121 HydrophobicContact CD2-CG1 3.97Å; W1067-I1121 HydrophobicContact CE3-CB 3.96Å; W1067-I1121 HydrophobicContact CE3-CG1 4.32Å; W1067-I1121 HydrophobicContact CG-CG1 4.46Å; W1067-I1121 HydrophobicContact CH2-CB 4.32Å; W1067-I1121 HydrophobicContact CH2-CD1 3.96Å; W1067-I1121 HydrophobicContact CH2-CG1 4.42Å; W1067-I1121 HydrophobicContact CZ2-CB 4.43Å; W1067-I1121 HydrophobicContact CZ2-CD1 3.47Å; W1067-I1121 VanDerWaalsContact CZ2-CD1 3.47Å; W1067-I1121 HydrophobicContact CZ2-CG1 4.04Å; W1067-I1121 HydrophobicContact CZ3-CB 4.07Å; A1104-I1121 HydrophobicContact CB-CD1 3.66Å; I1121-I1123 HydrophobicContact CD1-CD1 4.35Å; I1121-I1123 HydrophobicContact CD1-CG1 4.3Å; I1121-I1123 HydrophobicContact CG1-CG1 4.47Å; I1121-K1133 WeakPolarHBondContact O-CA 3.43Å; I1121-S1134 PolarHBondContact N-O 2.89Å; I1121-S1134 PolarHBondContact O-N 2.82Å |
| 1122 | R | 87.2 | Confident | 78.7 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.5 | 171.8 | 179.2 | -174.8 | -160.4 | 148.4 | 1.3 | 110 | E720 V1065 S1066 F1068 A1131 M1132 K1133 | E720-R1122 IonicContact OE1-CZ 2.67Å; E720-R1122 IonicContact OE1-NE 2.68Å; E720-R1122 PolarHBondContact OE1-NE 3.18Å; E720-R1122 IonicContact OE1-NH1 3.28Å; E720-R1122 PolarHBondContact OE1-NH1 3.3Å; E720-R1122 IonicContact OE1-NH2 3.79Å; E720-R1122 PolarHBondContact OE1-NH2 2.67Å; E720-R1122 IonicContact OE2-CZ 2.73Å; E720-R1122 IonicContact OE2-NH1 2.91Å; E720-R1122 PolarHBondContact OE2-NH1 2.83Å; E720-R1122 IonicContact OE2-NH2 2.86Å; E720-R1122 PolarHBondContact OE2-NH2 2.8Å; V1065-R1122 CarbonylContact C-O 3.46Å; V1065-R1122 WeakPolarHBondContact CA-O 3.29Å; S1066-R1122 PolarHBondContact N-O 3.46Å; S1066-R1122 PolarHBondContact O-N 3.42Å; S1066-R1122 PolarHBondContact OG-O 2.81Å; F1068-R1122 HydrophobicContact CE2-CB 4.37Å; R1122-A1131 HydrophobicContact CG-CB 4.07Å; R1122-M1132 WeakPolarHBondContact CA-O 3.16Å; R1122-K1133 HydrophobicContact CB-CG 4.24Å; R1122-K1133 HydrophobicContact CG-CG 4.07Å |
| 1123 | I | 88.3 | Confident | 78.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 109.9 | 179 | -59.9 | 141.7 | 0 | 0 | 0 | 107.3 | F1054 F1063 T1064 V1065 I1121 A1131 M1132 | F1054-I1123 HydrophobicContact CB-CD1 4.38Å; F1054-I1123 HydrophobicContact CD1-CD1 3.38Å; F1054-I1123 HydrophobicContact CD1-CG1 4.18Å; F1054-I1123 HydrophobicContact CD2-CG2 4.23Å; F1054-I1123 HydrophobicContact CE1-CD1 3.76Å; F1054-I1123 HydrophobicContact CE1-CG1 4.09Å; F1054-I1123 HydrophobicContact CE2-CG2 4.11Å; F1054-I1123 HydrophobicContact CG-CD1 3.92Å; F1054-I1123 HydrophobicContact CZ-CG2 4.27Å; F1063-I1123 HydrophobicContact CD2-CG2 3.98Å; T1064-I1123 CarbonylContact O-C 3.53Å; T1064-I1123 WeakPolarHBondContact O-CA 3.48Å; V1065-I1123 HydrophobicContact CG2-CG1 4.38Å; I1121-I1123 HydrophobicContact CD1-CD1 4.35Å; I1121-I1123 HydrophobicContact CD1-CG1 4.3Å; I1121-I1123 HydrophobicContact CG1-CG1 4.47Å; I1123-A1131 CarbonylContact O-C 3.55Å; I1123-A1131 VanDerWaalsContact O-CA 3.27Å; I1123-A1131 WeakPolarHBondContact O-CA 3.3Å; I1123-M1132 HydrophobicContact CB-CE 4.35Å; I1123-M1132 HydrophobicContact CG2-CE 4.09Å; I1123-M1132 PolarHBondContact N-O 2.85Å; I1123-M1132 PolarHBondContact O-N 2.84Å |
| 1124 | R | 81.1 | Confident | 79 | Confident | 67 Ų | 67 | 47 Ų | 47 | 25% | 0.253 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.5 | -177.5 | -176.8 | -165.7 | -70.9 | 161.8 | -2.2 | 109.6 | E720 F1063 T1064 E1126 A1131 | E720-R1124 IonicContact OE1-CZ 2.64Å; E720-R1124 IonicContact OE1-NE 3.07Å; E720-R1124 IonicContact OE1-NH2 3.42Å; E720-R1124 PolarHBondContact OE1-NH2 2.89Å; F1063-R1124 CarbonylContact C-O 3.56Å; F1063-R1124 WeakPolarHBondContact CA-O 3.14Å; F1063-R1124 WeakPolarHBondContact CB-O 3.44Å; T1064-R1124 PolarHBondContact N-O 2.88Å; T1064-R1124 PolarHBondContact O-N 2.71Å; R1124-E1126 VanDerWaalsContact CD-OE1 3.26Å; R1124-E1126 WeakPolarHBondContact CD-OE1 3.39Å; R1124-A1131 HydrophobicContact CB-CB 4.12Å; R1124-A1131 HydrophobicContact CG-CB 4.34Å |
| 1125 | N | 74.8 | Confident | 79.4 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 123.5 | 166.4 | -176.3 | -65.3 | 0 | 0 | 0 | 108.9 | W1031 E1127 T1128 G1129 K1130 | W1031-N1125 HydrophobicContact CH2-CB 3.54Å; W1031-N1125 WeakPolarHBondContact CH2-ND2 3.39Å; W1031-N1125 HydrophobicContact CZ2-CB 3.45Å; W1031-N1125 VanDerWaalsContact CZ2-CB 3.45Å; W1031-N1125 HydrophobicContact CZ3-CB 4.17Å; W1031-N1125 WeakPolarHBondContact CZ3-ND2 3.41Å; N1125-E1127 WeakPolarHBondContact OD1-CA 3.41Å; N1125-E1127 WeakPolarHBondContact OD1-CB 3.25Å; N1125-E1127 PolarHBondContact OD1-N 2.88Å; N1125-T1128 WeakPolarHBondContact CB-OG1 3.46Å; N1125-T1128 PolarHBondContact OD1-N 2.84Å; N1125-T1128 PolarHBondContact OD1-OG1 2.67Å; N1125-G1129 VanDerWaalsContact O-CA 3.25Å; N1125-G1129 WeakPolarHBondContact O-CA 3.46Å; N1125-G1129 PolarHBondContact O-N 2.86Å; N1125-K1130 WeakPolarHBondContact CB-O 3.1Å; N1125-K1130 PolarHBondContact N-O 2.82Å |
| 1126 | E | 73 | Confident | 79.5 | Confident | 84 Ų | 84 | 41.1 Ų | 41.1 | 39% | 0.393 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -26 | -177.8 | -61.3 | -50.2 | 131 | 0 | 0 | 113 | A1062 T1064 R1124 | A1062-E1126 PolarHBondContact O-N 3.22Å; T1064-E1126 WeakPolarHBondContact CB-OE1 3.22Å; T1064-E1126 HydrophobicContact CG2-CG 4Å; T1064-E1126 VanDerWaalsContact CG2-OE1 3.26Å; T1064-E1126 WeakPolarHBondContact CG2-OE1 3.39Å; T1064-E1126 PolarHBondContact OG1-OE1 3.12Å; R1124-E1126 VanDerWaalsContact CD-OE1 3.26Å; R1124-E1126 WeakPolarHBondContact CD-OE1 3.39Å |
| 1127 | E | 59.1 | Low | 79.5 | Confident | 146 Ų | 146 | 41.8 Ų | 41.8 | 68% | 0.682 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -34.9 | 177.1 | -54.8 | -178.5 | 151.3 | 0 | 0 | 113.1 | A1062 N1125 | A1062-E1127 HydrophobicContact CB-CG 4.46Å; N1125-E1127 WeakPolarHBondContact OD1-CA 3.41Å; N1125-E1127 WeakPolarHBondContact OD1-CB 3.25Å; N1125-E1127 PolarHBondContact OD1-N 2.88Å |
| 1128 | T | 59.3 | Low | 79.5 | Confident | 58 Ų | 58 | 41.8 Ų | 41.8 | 36% | 0.356 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | -8.3 | -171.7 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | L1027 N1125 K1130 | L1027-T1128 HydrophobicContact CD2-CG2 4.27Å; N1125-T1128 WeakPolarHBondContact CB-OG1 3.46Å; N1125-T1128 PolarHBondContact OD1-N 2.84Å; N1125-T1128 PolarHBondContact OD1-OG1 2.67Å; T1128-K1130 PolarHBondContact O-N 3.43Å |
| 1129 | G | 57.7 | Low | 79.3 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | trans | 65.7 | 1.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1125 | N1125-G1129 VanDerWaalsContact O-CA 3.25Å; N1125-G1129 WeakPolarHBondContact O-CA 3.46Å; N1125-G1129 PolarHBondContact O-N 2.86Å | ||
| 1130 | K | 54.6 | Low | 79 | Confident | 142 Ų | 142 | 41.8 Ų | 41.8 | 62% | 0.617 | 21% | 0.213 | S | C | * | . | trans | -77.2 | 129.7 | 180 | -69.8 | -177.2 | 178.1 | 178.3 | 0 | 110.3 | N1125 T1128 | N1125-K1130 WeakPolarHBondContact CB-O 3.1Å; N1125-K1130 PolarHBondContact N-O 2.82Å; T1128-K1130 PolarHBondContact O-N 3.43Å | ||
| 1131 | A | 72.4 | Confident | 78.7 | Confident | 40 Ų | 40 | 43.7 Ų | 43.7 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1122 I1123 R1124 | R1122-A1131 HydrophobicContact CG-CB 4.07Å; I1123-A1131 CarbonylContact O-C 3.55Å; I1123-A1131 VanDerWaalsContact O-CA 3.27Å; I1123-A1131 WeakPolarHBondContact O-CA 3.3Å; R1124-A1131 HydrophobicContact CB-CB 4.12Å; R1124-A1131 HydrophobicContact CG-CB 4.34Å |
| 1132 | M | 80 | Confident | 78.4 | Confident | 21 Ų | 21 | 44 Ų | 44 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 150.9 | 166.2 | -61.6 | -178.2 | -64.2 | 0 | 0 | 109.6 | W1031 R1032 I1033 F1054 R1122 I1123 | W1031-M1132 VanDerWaalsContact CD1-SD 3.55Å; W1031-M1132 HydrophobicContact CG-SD 4.47Å; W1031-M1132 HydrophobicContact CZ2-CE 4.1Å; W1031-M1132 PolarHBondContact NE1-SD 2.84Å; R1032-M1132 WeakPolarHBondContact CA-SD 3.49Å; I1033-M1132 HydrophobicContact CD1-CB 4.03Å; I1033-M1132 HydrophobicContact CG1-CB 4.16Å; I1033-M1132 HydrophobicContact CG1-SD 4.08Å; I1033-M1132 PolarHBondContact N-SD 2.91Å; F1054-M1132 HydrophobicContact CB-CE 3.78Å; F1054-M1132 HydrophobicContact CD2-CE 4.38Å; F1054-M1132 HydrophobicContact CG-CE 4.26Å; R1122-M1132 WeakPolarHBondContact CA-O 3.16Å; I1123-M1132 HydrophobicContact CB-CE 4.35Å; I1123-M1132 HydrophobicContact CG2-CE 4.09Å; I1123-M1132 PolarHBondContact N-O 2.85Å; I1123-M1132 PolarHBondContact O-N 2.84Å |
| 1133 | K | 84.3 | Confident | 78.2 | Confident | 115 Ų | 115 | 46.3 Ų | 46.3 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 143.3 | 176.8 | -66 | 179.6 | -179.4 | 178.3 | 0 | 109.7 | I1033 I1121 R1122 | I1033-K1133 WeakPolarHBondContact CD1-O 3.25Å; I1121-K1133 WeakPolarHBondContact O-CA 3.43Å; R1122-K1133 HydrophobicContact CB-CG 4.24Å; R1122-K1133 HydrophobicContact CG-CG 4.07Å |
| 1134 | S | 84.3 | Confident | 77.9 | Confident | 8 Ų | 8 | 48 Ų | 48 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.8 | 171.5 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | P1036 L1037 T1120 I1121 | P1036-S1134 WeakPolarHBondContact CA-OG 3.47Å; P1036-S1134 WeakPolarHBondContact CB-OG 2.97Å; L1037-S1134 PolarHBondContact N-OG 2.66Å; T1120-S1134 CarbonylContact C-O 3.32Å; T1120-S1134 WeakPolarHBondContact CA-O 3.36Å; I1121-S1134 PolarHBondContact N-O 2.89Å; I1121-S1134 PolarHBondContact O-N 2.82Å |
| 1135 | N | 87.5 | Confident | 77.7 | Confident | 73 Ų | 73 | 48.2 Ų | 48.2 | 39% | 0.39 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 149.9 | -174.8 | -56 | -42 | 0 | 0 | 0 | 110.5 | L1118 Y1119 T1120 | L1118-N1135 HydrophobicContact CD1-CB 4.14Å; Y1119-N1135 CarbonylContact O-C 3.54Å; Y1119-N1135 VanDerWaalsContact O-CA 3.25Å; Y1119-N1135 WeakPolarHBondContact O-CA 3.32Å; T1120-N1135 WeakPolarHBondContact CB-OD1 3.48Å; T1120-N1135 VanDerWaalsContact CG2-OD1 3.31Å; T1120-N1135 WeakPolarHBondContact CG2-OD1 3.34Å; T1120-N1135 PolarHBondContact OG1-OD1 2.87Å |
| 1136 | A | 84.9 | Confident | 77.1 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 141.2 | 166 | 0 | 0 | 0 | 0 | 0 | 111 | L1037 S1038 N1039 L1050 Y1119 | L1037-A1136 HydrophobicContact CB-CB 3.57Å; L1037-A1136 HydrophobicContact CD1-CB 4.43Å; S1038-A1136 VanDerWaalsContact O-CB 3.29Å; S1038-A1136 WeakPolarHBondContact O-CB 3.35Å; N1039-A1136 VanDerWaalsContact OD1-CA 3.28Å; N1039-A1136 WeakPolarHBondContact OD1-CA 3.34Å; L1050-A1136 HydrophobicContact CD2-CB 3.93Å; Y1119-A1136 PolarHBondContact N-O 2.85Å; Y1119-A1136 PolarHBondContact O-N 2.95Å |
| 1137 | S | 86.3 | Confident | 76 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130 | 167.8 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | N1039 I1040 G1117 | N1039-S1137 WeakPolarHBondContact CA-O 3.46Å; N1039-S1137 PolarHBondContact ND2-OG 2.81Å; N1039-S1137 PolarHBondContact OD1-N 3.06Å; N1039-S1137 PolarHBondContact OD1-OG 2.81Å; I1040-S1137 PolarHBondContact N-O 2.96Å; G1117-S1137 CarbonylContact O-C 3.58Å; G1117-S1137 WeakPolarHBondContact O-CA 3.44Å |
| 1138 | L | 89.6 | Confident | 75.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 117.9 | 162.7 | 179.4 | 62.4 | 0 | 0 | 0 | 109.1 | I1040 I1048 F1072 V1111 R1115 A1116 G1117 Y1119 | I1040-L1138 HydrophobicContact CB-CD1 3.75Å; I1040-L1138 HydrophobicContact CG2-CD1 3.72Å; I1048-L1138 HydrophobicContact CD1-CD1 3.49Å; I1048-L1138 VanDerWaalsContact CD1-CD1 3.49Å; I1048-L1138 HydrophobicContact CD1-CD2 3.36Å; I1048-L1138 HydrophobicContact CD1-CG 4.04Å; I1048-L1138 HydrophobicContact CG2-CD1 4.48Å; F1072-L1138 WeakPolarHBondContact CE2-O 3.43Å; V1111-L1138 HydrophobicContact CG1-CD2 4.17Å; V1111-L1138 HydrophobicContact CG2-CD2 4.44Å; R1115-L1138 HydrophobicContact CB-CD2 4.08Å; R1115-L1138 WeakPolarHBondContact O-CD2 3.49Å; A1116-L1138 CarbonylContact C-O 3.55Å; A1116-L1138 VanDerWaalsContact CA-O 3.28Å; A1116-L1138 WeakPolarHBondContact CA-O 3.27Å; G1117-L1138 PolarHBondContact N-O 3.34Å; G1117-L1138 PolarHBondContact O-N 3.45Å; Y1119-L1138 HydrophobicContact CD2-CB 4.04Å; Y1119-L1138 HydrophobicContact CE2-CB 3.66Å; Y1119-L1138 HydrophobicContact CE2-CD2 4.08Å |
| 1139 | T | 86.4 | Confident | 75.7 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.3 | 177.8 | -62.3 | 0 | 0 | 0 | 0 | 109.8 | I1040 Q1041 C1042 V1227 T1228 | I1040-T1139 PolarHBondContact O-N 3.38Å; Q1041-T1139 WeakPolarHBondContact CA-O 3.38Å; C1042-T1139 PolarHBondContact N-O 3.46Å; C1042-T1139 VanDerWaalsContact N-O 3.14Å; T1139-V1227 HydrophobicContact CG2-CG1 3.9Å; T1139-T1228 HydrophobicContact CG2-CG2 3.42Å; T1139-T1228 VanDerWaalsContact CG2-CG2 3.42Å |
| 1140 | I | 86.8 | Confident | 76.2 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 134.3 | 177.5 | -63.4 | 166.9 | 0 | 0 | 0 | 108.4 | C1042 L1044 V1111 T1112 A1116 P1142 G1174 | C1042-I1140 CarbonylContact O-C 3.49Å; C1042-I1140 WeakPolarHBondContact O-CA 3.42Å; L1044-I1140 HydrophobicContact CD2-CD1 4.4Å; L1044-I1140 HydrophobicContact CD2-CG2 4.22Å; L1044-I1140 HydrophobicContact CG-CG2 4.26Å; V1111-I1140 HydrophobicContact CG1-CD1 3.61Å; V1111-I1140 HydrophobicContact CG1-CG1 3.86Å; T1112-I1140 WeakPolarHBondContact O-CD1 3.38Å; A1116-I1140 HydrophobicContact CB-CD1 3.98Å; A1116-I1140 HydrophobicContact CB-CG1 4.24Å; I1140-P1142 WeakPolarHBondContact O-CD 3.17Å; I1140-G1174 WeakPolarHBondContact CG2-O 3.48Å |
| 1141 | I | 83.5 | Confident | 77 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 32% | 0.323 | 27% | 0.273 | S | S | . | . | trans | -81.4 | 114.8 | 177.5 | -59 | 172.4 | 0 | 0 | 0 | 107.2 | Q1041 C1042 | Q1041-I1141 HydrophobicContact CB-CD1 4.43Å; Q1041-I1141 HydrophobicContact CB-CG1 4.5Å; C1042-I1141 PolarHBondContact O-N 2.93Å | ||
| 1142 | P | 85.7 | Confident | 77.1 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | trans | -75 | 149.4 | -179 | 32 | -35.3 | 0 | 0 | 0 | 111.4 | I1140 E1173 L1175 D1225 L1232 | I1140-P1142 WeakPolarHBondContact O-CD 3.17Å; P1142-E1173 CarbonylContact C-O 3.55Å; P1142-E1173 VanDerWaalsContact CA-O 3.23Å; P1142-E1173 WeakPolarHBondContact CA-O 3.16Å; P1142-L1175 HydrophobicContact CB-CD2 3.55Å; P1142-L1175 HydrophobicContact CB-CG 3.93Å; P1142-L1175 HydrophobicContact CG-CD2 3.92Å; P1142-D1225 HydrophobicContact CG-CB 4.1Å; P1142-L1232 HydrophobicContact CB-CD1 3.89Å; P1142-L1232 HydrophobicContact CG-CD1 3.96Å | ||
| 1143 | N | 82.2 | Confident | 76.9 | Confident | 81 Ų | 81 | 54.4 Ų | 54.4 | 43% | 0.433 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.9 | -175.7 | -179.1 | 39.8 | 0 | 0 | 0 | 111.2 | Y1172 E1173 | N1143-Y1172 CarbonylContact O-C 3.59Å; N1143-Y1172 WeakPolarHBondContact O-CA 3.44Å; N1143-Y1172 WeakPolarHBondContact O-CB 3.27Å; N1143-E1173 HydrophobicContact CB-CG 3.79Å; N1143-E1173 PolarHBondContact N-O 3.21Å; N1143-E1173 PolarHBondContact ND2-OE1 3.41Å; N1143-E1173 PolarHBondContact O-N 3.32Å |
| 1144 | I | 83.3 | Confident | 76.2 | Confident | 37 Ų | 37 | 54 Ų | 54 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.3 | 170.6 | -55.8 | -175.8 | 0 | 0 | 0 | 107.9 | V1170 S1171 L1232 T1234 | I1144-V1170 HydrophobicContact CG2-CG1 4.4Å; I1144-S1171 WeakPolarHBondContact CG2-O 3.22Å; I1144-L1232 HydrophobicContact CD1-CB 4.06Å; I1144-L1232 HydrophobicContact CG1-CB 4.13Å; I1144-L1232 HydrophobicContact CG1-CD1 4.15Å; I1144-T1234 HydrophobicContact CD1-CG2 4.22Å |
| 1145 | L | 76.2 | Confident | 75.5 | Confident | 72 Ų | 72 | 56.1 Ų | 56.1 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 136.7 | 173.9 | -69.2 | 168.6 | 0 | 0 | 0 | 109.3 | G1147 S1171 E1173 | L1145-G1147 PolarHBondContact O-N 3.02Å; L1145-S1171 PolarHBondContact N-O 3.04Å; L1145-E1173 HydrophobicContact CD1-CB 4.33Å; L1145-E1173 HydrophobicContact CD2-CG 4.26Å; L1145-E1173 HydrophobicContact CG-CB 4.39Å; L1145-E1173 HydrophobicContact CG-CG 4.29Å |
| 1146 | E | 62 | Low | 74.6 | Confident | 138 Ų | 138 | 57.7 Ų | 57.7 | 65% | 0.645 | 31% | 0.305 | S | S | * | . | trans | -41.4 | 125 | -161.9 | -78.9 | -165.2 | 138.8 | 0 | 0 | 114 | K1148 V1310 | E1146-K1148 PolarHBondContact O-N 3.42Å; E1146-V1310 WeakPolarHBondContact OE1-CG2 3.2Å | ||
| 1147 | G | 50.9 | Low | 73.7 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 40% | 0.402 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 123.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1145 | L1145-G1147 PolarHBondContact O-N 3.02Š|
| 1148 | K | 55 | Low | 72.5 | Confident | 141 Ų | 141 | 64.8 Ų | 64.8 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | P | Polyproline II helix | trans | -46.8 | 148.1 | 161.4 | -66.2 | -174.1 | 178.4 | -176.8 | 0 | 109.9 | E1146 R1236 | E1146-K1148 PolarHBondContact O-N 3.42Å; K1148-R1236 WeakPolarHBondContact O-CD 3.48Å; K1148-R1236 PolarHBondContact O-NE 3.16Å |
| 1149 | P | 56.6 | Low | 70.9 | Confident | 84 Ų | 84 | 69.7 Ų | 69.7 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 167.2 | 174.2 | 26.5 | -35.6 | 0 | 0 | 0 | 111.8 | ||
| 1150 | D | 67.9 | Low | 70.1 | Confident | 72 Ų | 72 | 73.2 Ų | 73.2 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 140.5 | 172.8 | -72.2 | -13.9 | 0 | 0 | 0 | 111.3 | E1152 T1237 | D1150-E1152 PolarHBondContact O-N 3.12Å; D1150-T1237 CarbonylContact C-O 3.45Å; D1150-T1237 WeakPolarHBondContact CA-O 3.46Å; D1150-T1237 WeakPolarHBondContact CB-O 3.3Å; D1150-T1237 VanDerWaalsContact CG-N 3.34Å; D1150-T1237 PolarHBondContact OD1-N 3.05Å; D1150-T1237 PolarHBondContact OD1-OG1 2.78Å; D1150-T1237 WeakPolarHBondContact OD2-CB 3.26Å; D1150-T1237 PolarHBondContact OD2-OG1 3.35Å |
| 1151 | L | 71.7 | Confident | 69.3 | Low | 35 Ų | 35 | 73.4 Ų | 73.4 | 18% | 0.183 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 108 | -176.4 | -90.7 | 77.5 | 0 | 0 | 0 | 109.8 | I1153 V1166 I1168 T1237 L1238 Q1239 | L1151-I1153 HydrophobicContact CB-CD1 4.23Å; L1151-I1153 HydrophobicContact CB-CG1 4.13Å; L1151-I1153 HydrophobicContact CD2-CD1 3.94Å; L1151-I1153 HydrophobicContact CD2-CG1 4.5Å; L1151-V1166 HydrophobicContact CD2-CG1 4.28Å; L1151-I1168 HydrophobicContact CD2-CG1 4.28Å; L1151-T1237 PolarHBondContact N-O 3.09Å; L1151-L1238 HydrophobicContact CB-CD1 4.27Å; L1151-Q1239 PolarHBondContact O-N 3.41Å |
| 1152 | E | 74.5 | Confident | 69 | Low | 128 Ų | 128 | 73 Ų | 73 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 127.1 | 156.4 | -70 | -176.1 | -156 | 0 | 0 | 109.4 | D1150 Q1239 Q1241 | D1150-E1152 PolarHBondContact O-N 3.12Å; E1152-Q1239 CarbonylContact C-O 3.57Å; E1152-Q1239 WeakPolarHBondContact CA-O 3.05Å; E1152-Q1241 HydrophobicContact CB-CG 4.39Å; E1152-Q1241 WeakPolarHBondContact OE2-CG 3.43Å; E1152-Q1241 PolarHBondContact OE2-NE2 3.07Å |
| 1153 | I | 74.4 | Confident | 68.7 | Low | 17 Ų | 17 | 72.8 Ų | 72.8 | 9% | 0.087 | 41% | 0.407 | C | S | . | . | trans | -131.6 | 133.5 | 179.2 | -55.3 | -170.4 | 0 | 0 | 0 | 110.9 | L1151 L1163 K1164 V1166 L1238 Q1239 | L1151-I1153 HydrophobicContact CB-CD1 4.23Å; L1151-I1153 HydrophobicContact CB-CG1 4.13Å; L1151-I1153 HydrophobicContact CD2-CD1 3.94Å; L1151-I1153 HydrophobicContact CD2-CG1 4.5Å; I1153-L1163 HydrophobicContact CG2-CB 4.09Å; I1153-K1164 HydrophobicContact CG2-CB 4.11Å; I1153-V1166 HydrophobicContact CD1-CB 3.96Å; I1153-V1166 HydrophobicContact CD1-CG1 3.52Å; I1153-V1166 HydrophobicContact CD1-CG2 3.58Å; I1153-L1238 HydrophobicContact CB-CD1 4.17Å; I1153-L1238 HydrophobicContact CD1-CD1 3.43Å; I1153-L1238 VanDerWaalsContact CD1-CD1 3.43Å; I1153-L1238 HydrophobicContact CG1-CD1 3.66Å; I1153-Q1239 PolarHBondContact N-O 3.12Å | ||
| 1154 | E | 70.2 | Confident | 68.5 | Low | 105 Ų | 105 | 73 Ų | 73 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | trans | -73.4 | 140.8 | 173.2 | -63.8 | 170.3 | -159.8 | 0 | 0 | 111.4 | L1156 K1164 | E1154-L1156 PolarHBondContact O-N 2.91Å; E1154-K1164 HydrophobicContact CB-CD 4.24Å; E1154-K1164 PolarHBondContact O-N 3.45Å; E1154-K1164 WeakPolarHBondContact OE2-CE 3.33Å; E1154-K1164 IonicContact OE2-NZ 3.7Å; E1154-K1164 PolarHBondContact OE2-NZ 3.5Å | ||
| 1155 | T | 70.1 | Confident | 68.5 | Low | 53 Ų | 53 | 75.2 Ų | 75.2 | 33% | 0.325 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 125.5 | 165.1 | 46.8 | 0 | 0 | 0 | 0 | 109.6 | D1157 L1162 L1163 I1213 | T1155-D1157 VanDerWaalsContact C-N 3.27Å; T1155-L1162 CarbonylContact C-O 3.56Å; T1155-L1162 WeakPolarHBondContact CA-O 3.42Å; T1155-L1163 HydrophobicContact CG2-CD2 4.02Å; T1155-I1213 HydrophobicContact CG2-CD1 4.13Å |
| 1156 | L | 68.8 | Low | 68.9 | Low | 106 Ų | 106 | 71.9 Ų | 71.9 | 56% | 0.555 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | -38.2 | 173.4 | -172 | 76.2 | 0 | 0 | 0 | 110.6 | E1154 L1162 K1164 | E1154-L1156 PolarHBondContact O-N 2.91Å; L1156-L1162 HydrophobicContact CD2-CD2 4.1Å; L1156-L1162 PolarHBondContact N-O 2.84Å; L1156-K1164 HydrophobicContact CB-CG 4.36Å; L1156-K1164 HydrophobicContact CD1-CG 3.92Å |
| 1157 | D | 65.7 | Low | 70 | Confident | 54 Ų | 54 | 68.3 Ų | 68.3 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 122.1 | 173 | 163.2 | 34.1 | 0 | 0 | 0 | 109.9 | T1155 S1159 T1160 G1161 | T1155-D1157 VanDerWaalsContact C-N 3.27Å; D1157-S1159 VanDerWaalsContact CG-OG 3.24Å; D1157-S1159 PolarHBondContact O-N 3.48Å; D1157-S1159 WeakPolarHBondContact OD1-CB 3.43Å; D1157-S1159 PolarHBondContact OD1-N 3.46Å; D1157-S1159 PolarHBondContact OD1-OG 2.94Å; D1157-S1159 PolarHBondContact OD2-OG 3.08Å; D1157-T1160 VanDerWaalsContact OD2-CB 3.28Å; D1157-T1160 WeakPolarHBondContact OD2-CB 3.26Å; D1157-T1160 VanDerWaalsContact OD2-CG2 3.22Å; D1157-T1160 WeakPolarHBondContact OD2-CG2 3.38Å; D1157-T1160 PolarHBondContact OD2-N 2.94Å; D1157-T1160 PolarHBondContact OD2-OG1 3.35Å; D1157-G1161 PolarHBondContact O-N 3.29Å |
| 1158 | S | 60.6 | Low | 71.8 | Confident | 111 Ų | 111 | 66.4 Ų | 66.4 | 78% | 0.776 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.5 | 179.1 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1159 | S | 56.8 | Low | 73.2 | Confident | 103 Ų | 103 | 61.3 Ų | 61.3 | 72% | 0.72 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -31.9 | 179 | 74.2 | 0 | 0 | 0 | 0 | 113.8 | D1157 | D1157-S1159 VanDerWaalsContact CG-OG 3.24Å; D1157-S1159 PolarHBondContact O-N 3.48Å; D1157-S1159 WeakPolarHBondContact OD1-CB 3.43Å; D1157-S1159 PolarHBondContact OD1-N 3.46Å; D1157-S1159 PolarHBondContact OD1-OG 2.94Å; D1157-S1159 PolarHBondContact OD2-OG 3.08Å |
| 1160 | T | 69.6 | Low | 74.6 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 53% | 0.528 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -11.6 | 171.9 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | D1157 L1162 H1212 | D1157-T1160 VanDerWaalsContact OD2-CB 3.28Å; D1157-T1160 WeakPolarHBondContact OD2-CB 3.26Å; D1157-T1160 VanDerWaalsContact OD2-CG2 3.22Å; D1157-T1160 WeakPolarHBondContact OD2-CG2 3.38Å; D1157-T1160 PolarHBondContact OD2-N 2.94Å; D1157-T1160 PolarHBondContact OD2-OG1 3.35Å; T1160-L1162 PolarHBondContact O-N 2.86Å; T1160-H1212 PolarHBondContact O-CD2 2.86Å; T1160-H1212 VanDerWaalsContact O-CD2 3.3Å; T1160-H1212 PolarHBondContact O-NE2 3.24Å |
| 1161 | G | 69 | Low | 75.5 | Confident | 10 Ų | 10 | 56 Ų | 56 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 9.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1157 H1212 I1213 | D1157-G1161 PolarHBondContact O-N 3.29Å; G1161-H1212 CarbonylContact O-C 3.57Å; G1161-H1212 PolarHBondContact O-CD2 3.42Å; G1161-I1213 PolarHBondContact O-N 3.48Å |
| 1162 | L | 76.8 | Confident | 76.2 | Confident | 55 Ų | 55 | 54.3 Ų | 54.3 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 139.4 | 179.8 | -161 | 72.7 | 0 | 0 | 0 | 110.6 | T1155 L1156 T1160 | T1155-L1162 CarbonylContact C-O 3.56Å; T1155-L1162 WeakPolarHBondContact CA-O 3.42Å; L1156-L1162 HydrophobicContact CD2-CD2 4.1Å; L1156-L1162 PolarHBondContact N-O 2.84Å; T1160-L1162 PolarHBondContact O-N 2.86Å |
| 1163 | L | 80.5 | Confident | 76.7 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 160.1 | 176.5 | -56 | -176.8 | 0 | 0 | 0 | 111.2 | I1153 T1155 V1166 A1211 L1238 T1240 | I1153-L1163 HydrophobicContact CG2-CB 4.09Å; T1155-L1163 HydrophobicContact CG2-CD2 4.02Å; L1163-V1166 HydrophobicContact CB-CG2 4.43Å; L1163-V1166 HydrophobicContact CD1-CG2 4.49Å; L1163-A1211 HydrophobicContact CB-CB 4.42Å; L1163-A1211 WeakPolarHBondContact CB-O 3.36Å; L1163-A1211 HydrophobicContact CD1-CB 4.15Å; L1163-A1211 PolarHBondContact N-O 3.01Å; L1163-L1238 HydrophobicContact CD1-CD2 4.21Å; L1163-T1240 HydrophobicContact CD2-CG2 3.51Å |
| 1164 | K | 78.7 | Confident | 76.9 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 38% | 0.378 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -61.9 | 151 | 162.9 | -72.6 | -179.9 | 176.2 | 175.9 | 0 | 110.4 | I1153 E1154 L1156 V1166 | I1153-K1164 HydrophobicContact CG2-CB 4.11Å; E1154-K1164 HydrophobicContact CB-CD 4.24Å; E1154-K1164 PolarHBondContact O-N 3.45Å; E1154-K1164 WeakPolarHBondContact OE2-CE 3.33Å; E1154-K1164 IonicContact OE2-NZ 3.7Å; E1154-K1164 PolarHBondContact OE2-NZ 3.5Å; L1156-K1164 HydrophobicContact CB-CG 4.36Å; L1156-K1164 HydrophobicContact CD1-CG 3.92Å; K1164-V1166 WeakPolarHBondContact O-CG2 3.25Å; K1164-V1166 PolarHBondContact O-N 3.02Å |
| 1165 | P | 83.4 | Confident | 77.5 | Confident | 83 Ų | 83 | 45.8 Ų | 45.8 | 54% | 0.539 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -51 | 124.4 | -177.3 | -30.2 | 36.4 | 0 | 0 | 0 | 113.7 | S1208 | P1165-S1208 CarbonylContact C-O 3.59Å; P1165-S1208 WeakPolarHBondContact CA-O 3.48Å |
| 1166 | V | 84.3 | Confident | 77.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 131.4 | -168.8 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | L1151 I1153 L1163 K1164 I1168 W1195 F1207 S1208 A1211 L1238 | L1151-V1166 HydrophobicContact CD2-CG1 4.28Å; I1153-V1166 HydrophobicContact CD1-CB 3.96Å; I1153-V1166 HydrophobicContact CD1-CG1 3.52Å; I1153-V1166 HydrophobicContact CD1-CG2 3.58Å; L1163-V1166 HydrophobicContact CB-CG2 4.43Å; L1163-V1166 HydrophobicContact CD1-CG2 4.49Å; K1164-V1166 WeakPolarHBondContact O-CG2 3.25Å; K1164-V1166 PolarHBondContact O-N 3.02Å; V1166-I1168 HydrophobicContact CG1-CG1 4.09Å; V1166-W1195 HydrophobicContact CB-CH2 3.72Å; V1166-W1195 HydrophobicContact CB-CZ3 3.91Å; V1166-W1195 HydrophobicContact CG1-CH2 3.61Å; V1166-W1195 HydrophobicContact CG1-CZ3 3.85Å; V1166-W1195 HydrophobicContact CG2-CH2 4.18Å; V1166-F1207 WeakPolarHBondContact O-CA 2.99Å; V1166-F1207 WeakPolarHBondContact O-CD2 3.45Å; V1166-S1208 PolarHBondContact N-O 3.23Å; V1166-S1208 PolarHBondContact O-N 3.02Å; V1166-A1211 HydrophobicContact CG2-CB 3.63Å; V1166-L1238 HydrophobicContact CG1-CD2 4.48Å |
| 1167 | T | 85.6 | Confident | 78.5 | Confident | 63 Ų | 63 | 40.4 Ų | 40.4 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 105.3 | 176.7 | -53.9 | 0 | 0 | 0 | 0 | 110.8 | I1205 L1206 | T1167-I1205 HydrophobicContact CG2-CG2 3.73Å; T1167-L1206 CarbonylContact C-O 3.58Å; T1167-L1206 WeakPolarHBondContact CA-O 3.43Å |
| 1168 | I | 86.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 93.2 | 176.5 | -48.8 | -177.5 | 0 | 0 | 0 | 108.7 | L1151 V1166 W1183 L1206 Y1219 R1236 | L1151-I1168 HydrophobicContact CD2-CG1 4.28Å; V1166-I1168 HydrophobicContact CG1-CG1 4.09Å; I1168-W1183 HydrophobicContact CB-CH2 4.24Å; I1168-W1183 HydrophobicContact CG2-CH2 3.79Å; I1168-W1183 HydrophobicContact CG2-CZ3 4.09Å; I1168-L1206 HydrophobicContact CB-CB 4.28Å; I1168-L1206 HydrophobicContact CD1-CD2 4.29Å; I1168-L1206 PolarHBondContact N-O 3.03Å; I1168-L1206 PolarHBondContact O-N 3.4Å; I1168-Y1219 HydrophobicContact CD1-CD1 4.38Å; I1168-Y1219 HydrophobicContact CD1-CD2 3.85Å; I1168-Y1219 HydrophobicContact CD1-CE2 4.37Å; I1168-Y1219 HydrophobicContact CD1-CG 3.86Å; I1168-R1236 HydrophobicContact CG2-CB 3.85Å; I1168-R1236 HydrophobicContact CG2-CG 3.68Å |
| 1169 | T | 85 | Confident | 80.4 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 20% | 0.202 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.7 | 174.3 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | R1203 I1205 R1236 | T1169-R1203 HydrophobicContact CG2-CB 4.41Å; T1169-I1205 HydrophobicContact CG2-CG1 4.14Å; T1169-R1236 VanDerWaalsContact O-CZ 3.28Å; T1169-R1236 PolarHBondContact O-NH1 3.26Å; T1169-R1236 PolarHBondContact O-NH2 2.8Å |
| 1170 | V | 86.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 121.6 | 166.4 | 171.4 | 0 | 0 | 0 | 0 | 107.6 | I1144 Y1172 W1183 R1203 S1204 C1221 I1223 T1234 | I1144-V1170 HydrophobicContact CG2-CG1 4.4Å; V1170-Y1172 HydrophobicContact CG1-CD1 4.36Å; V1170-W1183 HydrophobicContact CB-CZ2 4.41Å; V1170-W1183 HydrophobicContact CG2-CH2 3.61Å; V1170-W1183 HydrophobicContact CG2-CZ2 3.9Å; V1170-R1203 CarbonylContact O-C 3.59Å; V1170-R1203 WeakPolarHBondContact O-CA 3.34Å; V1170-R1203 VanDerWaalsContact O-CB 3.31Å; V1170-R1203 WeakPolarHBondContact O-CB 3.34Å; V1170-S1204 PolarHBondContact N-O 3.34Å; V1170-S1204 PolarHBondContact O-N 3.11Å; V1170-C1221 HydrophobicContact CG2-CB 4.11Å; V1170-I1223 HydrophobicContact CG1-CD1 3.88Å; V1170-T1234 HydrophobicContact CB-CG2 4.29Å; V1170-T1234 HydrophobicContact CG1-CG2 3.61Å; V1170-T1234 HydrophobicContact CG2-CG2 3.62Å |
| 1171 | S | 85.7 | Confident | 82.5 | Confident | 44 Ų | 44 | 33.3 Ų | 33.3 | 31% | 0.308 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 149.1 | 177.8 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | I1144 L1145 N1202 | I1144-S1171 WeakPolarHBondContact CG2-O 3.22Å; L1145-S1171 PolarHBondContact N-O 3.04Å; S1171-N1202 WeakPolarHBondContact CA-O 3.42Å |
| 1172 | Y | 87.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 165 | -178.1 | 44.6 | -105.4 | 0 | 0 | 0 | 111 | N1143 V1170 L1175 P1179 T1199 D1200 M1201 N1202 R1203 I1223 | N1143-Y1172 CarbonylContact O-C 3.59Å; N1143-Y1172 WeakPolarHBondContact O-CA 3.44Å; N1143-Y1172 WeakPolarHBondContact O-CB 3.27Å; V1170-Y1172 HydrophobicContact CG1-CD1 4.36Å; Y1172-L1175 HydrophobicContact CD2-CD1 3.56Å; Y1172-L1175 HydrophobicContact CD2-CG 4.45Å; Y1172-L1175 HydrophobicContact CE2-CD1 3.56Å; Y1172-L1175 HydrophobicContact CG-CD1 4.45Å; Y1172-P1179 HydrophobicContact CE2-CG 4.11Å; Y1172-T1199 WeakPolarHBondContact OH-CG2 3.45Å; Y1172-D1200 PolarHBondContact OH-O 2.89Å; Y1172-M1201 VanDerWaalsContact CE2-O 3.28Å; Y1172-M1201 WeakPolarHBondContact CE2-O 3.31Å; Y1172-N1202 VanDerWaalsContact CD2-C 3.5Å; Y1172-N1202 VanDerWaalsContact CE2-C 3.47Å; Y1172-N1202 PolarHBondContact N-O 2.86Å; Y1172-N1202 CarbonylContact O-C 3.45Å; Y1172-N1202 VanDerWaalsContact O-CA 3.27Å; Y1172-N1202 WeakPolarHBondContact O-CA 3.35Å; Y1172-R1203 VanDerWaalsContact CE1-C 3.44Å; Y1172-R1203 PolarHBondContact OH-O 3.09Å; Y1172-R1203 VanDerWaalsContact OH-O 3.05Å; Y1172-I1223 HydrophobicContact CD1-CD1 3.45Å; Y1172-I1223 VanDerWaalsContact CD1-CD1 3.45Å; Y1172-I1223 HydrophobicContact CD1-CG1 4.32Å; Y1172-I1223 HydrophobicContact CE1-CD1 3.74Å; Y1172-I1223 HydrophobicContact CE1-CG1 4.16Å; Y1172-I1223 HydrophobicContact CG-CD1 4.4Å |
| 1173 | E | 85.1 | Confident | 84 | Confident | 63 Ų | 63 | 35.7 Ų | 35.7 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 164.3 | -176 | 66.5 | -175.8 | 161.9 | 0 | 0 | 111 | L1044 P1142 N1143 L1145 L1175 | L1044-E1173 HydrophobicContact CD1-CB 3.81Å; L1044-E1173 HydrophobicContact CD1-CG 4.08Å; P1142-E1173 CarbonylContact C-O 3.55Å; P1142-E1173 VanDerWaalsContact CA-O 3.23Å; P1142-E1173 WeakPolarHBondContact CA-O 3.16Å; N1143-E1173 HydrophobicContact CB-CG 3.79Å; N1143-E1173 PolarHBondContact N-O 3.21Å; N1143-E1173 PolarHBondContact ND2-OE1 3.41Å; N1143-E1173 PolarHBondContact O-N 3.32Å; L1145-E1173 HydrophobicContact CD1-CB 4.33Å; L1145-E1173 HydrophobicContact CD2-CG 4.26Å; L1145-E1173 HydrophobicContact CG-CB 4.39Å; L1145-E1173 HydrophobicContact CG-CG 4.29Å; E1173-L1175 VanDerWaalsContact C-N 3.34Å; E1173-L1175 PolarHBondContact O-N 3.43Å |
| 1174 | G | 77.6 | Confident | 84.5 | Confident | 5 Ų | 5 | 36.2 Ų | 36.2 | 5% | 0.052 | 20% | 0.198 | C | C | . | . | trans | 87 | -8.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1140 | I1140-G1174 WeakPolarHBondContact CG2-O 3.48Š| ||
| 1175 | L | 82.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | trans | -71.1 | 139 | 173.3 | -64 | 175 | 0 | 0 | 0 | 111.4 | P1142 Y1172 E1173 P1179 M1201 I1223 D1225 | P1142-L1175 HydrophobicContact CB-CD2 3.55Å; P1142-L1175 HydrophobicContact CB-CG 3.93Å; P1142-L1175 HydrophobicContact CG-CD2 3.92Å; Y1172-L1175 HydrophobicContact CD2-CD1 3.56Å; Y1172-L1175 HydrophobicContact CD2-CG 4.45Å; Y1172-L1175 HydrophobicContact CE2-CD1 3.56Å; Y1172-L1175 HydrophobicContact CG-CD1 4.45Å; E1173-L1175 VanDerWaalsContact C-N 3.34Å; E1173-L1175 PolarHBondContact O-N 3.43Å; L1175-P1179 HydrophobicContact CD1-CB 3.88Å; L1175-P1179 HydrophobicContact CD1-CG 3.6Å; L1175-M1201 HydrophobicContact CB-CE 4.19Å; L1175-M1201 WeakPolarHBondContact O-CE 3.46Å; L1175-I1223 HydrophobicContact CD1-CG2 4.45Å; L1175-D1225 HydrophobicContact CD2-CB 3.61Å | ||
| 1176 | C | 78.9 | Confident | 85 | Confident | 33 Ų | 33 | 34.8 Ų | 34.8 | 22% | 0.223 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -112.6 | -2.2 | 176.3 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | A1113 A1116 | A1113-C1176 VanDerWaalsContact O-CB 3.25Å; A1113-C1176 WeakPolarHBondContact O-CB 3.43Å; A1116-C1176 HydrophobicContact CB-CB 4.07Å |
| 1177 | V | 82.3 | Confident | 84.4 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -135.9 | 155 | 166.3 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | L1074 M1201 Y1226 V1227 | L1074-V1177 HydrophobicContact CB-CG1 4.34Å; V1177-M1201 VanDerWaalsContact C-SD 3.58Å; V1177-Y1226 HydrophobicContact CG2-CD2 4.44Å; V1177-V1227 HydrophobicContact CG2-CG2 4.22Å |
| 1178 | I | 81.6 | Confident | 84.1 | Confident | 100 Ų | 100 | 38 Ų | 38 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | trans | -63.2 | 127 | 178.6 | -57.4 | 174.2 | 0 | 0 | 0 | 109 | T1199 M1201 | I1178-T1199 HydrophobicContact CG2-CG2 4.46Å; I1178-M1201 HydrophobicContact CB-SD 4.34Å; I1178-M1201 HydrophobicContact CG1-CG 4.31Å; I1178-M1201 HydrophobicContact CG1-SD 3.55Å; I1178-M1201 VanDerWaalsContact CG1-SD 3.55Å; I1178-M1201 PolarHBondContact N-SD 2.9Å | ||
| 1179 | P | 84.2 | Confident | 83.8 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | trans | -79 | 156.2 | -174.5 | 31.1 | -35.6 | 0 | 0 | 0 | 113.3 | Y1172 L1175 V1181 T1199 I1223 R1224 | Y1172-P1179 HydrophobicContact CE2-CG 4.11Å; L1175-P1179 HydrophobicContact CD1-CB 3.88Å; L1175-P1179 HydrophobicContact CD1-CG 3.6Å; P1179-V1181 HydrophobicContact CB-CG2 4.21Å; P1179-V1181 HydrophobicContact CG-CG2 3.82Å; P1179-V1181 PolarHBondContact O-N 3.45Å; P1179-T1199 HydrophobicContact CG-CG2 4.3Å; P1179-I1223 HydrophobicContact CB-CG2 3.75Å; P1179-I1223 HydrophobicContact CG-CG2 4.01Å; P1179-R1224 WeakPolarHBondContact CA-O 3.25Å; P1179-R1224 VanDerWaalsContact CB-O 3.27Å; P1179-R1224 WeakPolarHBondContact CB-O 3.44Å | ||
| 1180 | D | 82.7 | Confident | 83.8 | Confident | 68 Ų | 68 | 42.2 Ų | 42.2 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 114.3 | 161.9 | -99.9 | 11 | 0 | 0 | 0 | 108.6 | K1077 R1224 Y1226 | K1077-D1180 IonicContact NZ-OD1 2.61Å; K1077-D1180 PolarHBondContact NZ-OD1 2.96Å; K1077-D1180 IonicContact NZ-OD2 2.83Å; K1077-D1180 PolarHBondContact NZ-OD2 3.23Å; D1180-R1224 HydrophobicContact CB-CB 4.34Å; D1180-R1224 PolarHBondContact N-O 2.91Å; D1180-R1224 WeakPolarHBondContact O-CB 3.48Å; D1180-R1224 PolarHBondContact O-N 2.96Å; D1180-Y1226 HydrophobicContact CB-CE2 4.2Å; D1180-Y1226 PolarHBondContact OD1-OH 2.55Å; D1180-Y1226 PolarHBondContact OD2-OH 2.87Å |
| 1181 | V | 87.9 | Confident | 83.6 | Confident | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.4 | -179 | -174.7 | 0 | 0 | 0 | 0 | 111 | P1179 T1199 C1221 E1222 I1223 | P1179-V1181 HydrophobicContact CB-CG2 4.21Å; P1179-V1181 HydrophobicContact CG-CG2 3.82Å; P1179-V1181 PolarHBondContact O-N 3.45Å; V1181-T1199 HydrophobicContact CB-CG2 4.38Å; V1181-T1199 HydrophobicContact CG2-CG2 3.66Å; V1181-C1221 VanDerWaalsContact CG1-SG 3.59Å; V1181-E1222 WeakPolarHBondContact CA-O 3.48Å; V1181-I1223 HydrophobicContact CG1-CG1 4.04Å; V1181-I1223 HydrophobicContact CG2-CB 4.41Å; V1181-I1223 HydrophobicContact CG2-CG1 4.02Å; V1181-I1223 HydrophobicContact CG2-CG2 4.24Å |
| 1182 | K | 86.7 | Confident | 83.4 | Confident | 108 Ų | 108 | 50.4 Ų | 50.4 | 47% | 0.47 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.6 | 178.8 | 175.6 | -170.5 | 170.7 | -159.5 | 0 | 109.8 | E1222 | K1182-E1222 HydrophobicContact CB-CB 4.35Å; K1182-E1222 PolarHBondContact N-O 3.01Å; K1182-E1222 PolarHBondContact O-N 2.83Å |
| 1183 | W | 91 | Very high | 83 | Confident | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.027 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 139.5 | 173.8 | -75.5 | 88.8 | 0 | 0 | 0 | 111.1 | I1168 V1170 I1190 I1197 S1204 L1206 E1220 C1221 | I1168-W1183 HydrophobicContact CB-CH2 4.24Å; I1168-W1183 HydrophobicContact CG2-CH2 3.79Å; I1168-W1183 HydrophobicContact CG2-CZ3 4.09Å; V1170-W1183 HydrophobicContact CB-CZ2 4.41Å; V1170-W1183 HydrophobicContact CG2-CH2 3.61Å; V1170-W1183 HydrophobicContact CG2-CZ2 3.9Å; W1183-I1190 HydrophobicContact CB-CB 4.39Å; W1183-I1190 HydrophobicContact CB-CD1 4.13Å; W1183-I1190 HydrophobicContact CB-CG2 3.99Å; W1183-I1190 WeakPolarHBondContact O-CG2 3.42Å; W1183-I1197 HydrophobicContact CB-CD1 4.17Å; W1183-I1197 HydrophobicContact CG-CD1 4.33Å; W1183-I1197 HydrophobicContact CG-CG1 4.46Å; W1183-S1204 PolarHBondContact NE1-OG 3.27Å; W1183-S1204 VanDerWaalsContact NE1-OG 3.15Å; W1183-L1206 HydrophobicContact CD2-CB 3.98Å; W1183-L1206 HydrophobicContact CD2-CD1 4.41Å; W1183-L1206 HydrophobicContact CD2-CD2 3.89Å; W1183-L1206 HydrophobicContact CD2-CG 4.31Å; W1183-L1206 HydrophobicContact CE3-CB 4.2Å; W1183-L1206 HydrophobicContact CE3-CD2 3.5Å; W1183-L1206 HydrophobicContact CE3-CG 4.36Å; W1183-L1206 HydrophobicContact CG-CD1 4.32Å; W1183-L1206 HydrophobicContact CG-CD2 4.47Å; W1183-L1206 HydrophobicContact CH2-CB 3.85Å; W1183-L1206 HydrophobicContact CH2-CD2 4.3Å; W1183-L1206 HydrophobicContact CZ2-CB 3.66Å; W1183-L1206 HydrophobicContact CZ3-CB 4.14Å; W1183-L1206 HydrophobicContact CZ3-CD2 3.73Å; W1183-E1220 WeakPolarHBondContact CA-O 3.49Å; W1183-C1221 HydrophobicContact CD2-CB 3.85Å; W1183-C1221 VanDerWaalsContact CE2-SG 3.55Å; W1183-C1221 HydrophobicContact CE3-CB 3.77Å; W1183-C1221 HydrophobicContact CH2-CB 3.82Å; W1183-C1221 HydrophobicContact CZ2-CB 3.84Å; W1183-C1221 HydrophobicContact CZ3-CB 3.77Å |
| 1184 | T | 89.6 | Confident | 82.7 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 154.7 | 173.2 | 57.4 | 0 | 0 | 0 | 0 | 111 | S1188 Y1219 E1220 | T1184-S1188 CarbonylContact C-O 3.56Å; T1184-S1188 WeakPolarHBondContact CA-O 3.34Å; T1184-S1188 WeakPolarHBondContact CB-O 3.33Å; T1184-Y1219 CarbonylContact O-C 3.59Å; T1184-Y1219 WeakPolarHBondContact O-CA 3.36Å; T1184-E1220 PolarHBondContact N-O 2.83Å; T1184-E1220 PolarHBondContact O-N 2.82Å; T1184-E1220 PolarHBondContact OG1-O 2.82Å |
| 1185 | Y | 88.8 | Confident | 83.1 | Confident | 52 Ų | 52 | 55.1 Ų | 55.1 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 118.4 | 179.5 | 167 | -112.2 | 0 | 0 | 0 | 108.7 | G1187 S1188 S1214 D1215 Q1216 Y1219 | Y1185-G1187 PolarHBondContact O-N 2.96Å; Y1185-G1187 VanDerWaalsContact O-N 3.1Å; Y1185-S1188 PolarHBondContact N-O 3.1Å; Y1185-S1188 WeakPolarHBondContact O-CB 3.44Å; Y1185-S1188 PolarHBondContact O-N 2.87Å; Y1185-S1214 PolarHBondContact OH-O 3.11Å; Y1185-D1215 VanDerWaalsContact CE2-O 3.24Å; Y1185-D1215 WeakPolarHBondContact CE2-O 3.44Å; Y1185-Q1216 PolarHBondContact OH-O 3.11Å; Y1185-Y1219 HydrophobicContact CD2-CD1 4.36Å; Y1185-Y1219 HydrophobicContact CD2-CD2 4.28Å; Y1185-Y1219 AromaticContact CD2-CE1 3.87Å; Y1185-Y1219 HydrophobicContact CD2-CE1 3.87Å; Y1185-Y1219 AromaticContact CD2-CE2 3.76Å; Y1185-Y1219 HydrophobicContact CD2-CE2 3.76Å; Y1185-Y1219 AromaticContact CD2-CZ 3.53Å; Y1185-Y1219 HydrophobicContact CE2-CE2 4.03Å; Y1185-Y1219 AromaticContact CE2-CZ 3.99Å; Y1185-Y1219 HydrophobicContact CG-CE1 4.34Å |
| 1186 | N | 83.8 | Confident | 83.1 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 48% | 0.476 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 37.9 | -173.8 | -64.2 | -33.4 | 0 | 0 | 0 | 112.7 | S1188 V1218 | N1186-S1188 VanDerWaalsContact C-N 3.27Å; N1186-S1188 PolarHBondContact O-N 3.16Å; N1186-V1218 PolarHBondContact N-O 2.72Å; N1186-V1218 PolarHBondContact OD1-N 2.8Å |
| 1187 | G | 72.5 | Confident | 83.4 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 65% | 0.649 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.3 | -13.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | Y1185 | Y1185-G1187 PolarHBondContact O-N 2.96Å; Y1185-G1187 VanDerWaalsContact O-N 3.1Å |
| 1188 | S | 79.3 | Confident | 83.3 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 154.6 | 177.3 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | T1184 Y1185 N1186 | T1184-S1188 CarbonylContact C-O 3.56Å; T1184-S1188 WeakPolarHBondContact CA-O 3.34Å; T1184-S1188 WeakPolarHBondContact CB-O 3.33Å; Y1185-S1188 PolarHBondContact N-O 3.1Å; Y1185-S1188 WeakPolarHBondContact O-CB 3.44Å; Y1185-S1188 PolarHBondContact O-N 2.87Å; N1186-S1188 VanDerWaalsContact C-N 3.27Å; N1186-S1188 PolarHBondContact O-N 3.16Å |
| 1189 | P | 81.2 | Confident | 83.4 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 73% | 0.727 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 141.2 | 169.7 | -22.5 | 33.8 | 0 | 0 | 0 | 111.5 | ||
| 1190 | I | 84.3 | Confident | 83.2 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 5% | 0.046 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 143.9 | -178 | -163.8 | 152 | 0 | 0 | 0 | 112.3 | W1183 H1192 W1195 I1197 L1206 Y1219 | W1183-I1190 HydrophobicContact CB-CB 4.39Å; W1183-I1190 HydrophobicContact CB-CD1 4.13Å; W1183-I1190 HydrophobicContact CB-CG2 3.99Å; W1183-I1190 WeakPolarHBondContact O-CG2 3.42Å; I1190-H1192 PolarHBondContact O-N 3.08Å; I1190-H1192 VanDerWaalsContact O-N 3.14Å; I1190-W1195 HydrophobicContact CD1-CB 4.14Å; I1190-W1195 HydrophobicContact CD1-CD2 4.43Å; I1190-W1195 HydrophobicContact CD1-CG 4.02Å; I1190-W1195 HydrophobicContact CG1-CB 4.03Å; I1190-W1195 HydrophobicContact CG1-CG 4.01Å; I1190-I1197 HydrophobicContact CG2-CD1 4.22Å; I1190-L1206 HydrophobicContact CD1-CD1 3.52Å; I1190-L1206 HydrophobicContact CD1-CD2 3.47Å; I1190-L1206 VanDerWaalsContact CD1-CD2 3.47Å; I1190-L1206 HydrophobicContact CD1-CG 4.11Å; I1190-Y1219 HydrophobicContact CD1-CD1 3.78Å; I1190-Y1219 HydrophobicContact CD1-CE1 3.68Å |
| 1191 | N | 82.5 | Confident | 83.1 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 43% | 0.428 | 37% | 0.366 | S | S | . | . | trans | -77.2 | 101.5 | 178.7 | -179.3 | 23.8 | 0 | 0 | 0 | 111.9 | T1193 T1194 W1195 | N1191-T1193 PolarHBondContact ND2-OG1 3.28Å; N1191-T1193 PolarHBondContact O-N 3.43Å; N1191-T1193 VanDerWaalsContact O-N 3.13Å; N1191-T1193 PolarHBondContact OD1-N 3.18Å; N1191-T1193 VanDerWaalsContact OD1-N 3.14Å; N1191-T1193 PolarHBondContact OD1-OG1 3.21Å; N1191-T1194 PolarHBondContact ND2-OG1 2.87Å; N1191-T1194 PolarHBondContact O-N 3.2Å; N1191-T1194 VanDerWaalsContact O-N 3.12Å; N1191-W1195 PolarHBondContact O-N 3.3Å | ||
| 1192 | H | 82.2 | Confident | 82.8 | Confident | 137 Ų | 137 | 70.4 Ų | 70.4 | 63% | 0.634 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.2 | 177.9 | -65 | -69.4 | 0 | 0 | 0 | 115.4 | I1190 W1195 | I1190-H1192 PolarHBondContact O-N 3.08Å; I1190-H1192 VanDerWaalsContact O-N 3.14Å; H1192-W1195 WeakPolarHBondContact CA-O 3.22Å |
| 1193 | T | 77.1 | Confident | 82.8 | Confident | 127 Ų | 127 | 70.7 Ų | 70.7 | 78% | 0.779 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -29.1 | 171.9 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | N1191 | N1191-T1193 PolarHBondContact ND2-OG1 3.28Å; N1191-T1193 PolarHBondContact O-N 3.43Å; N1191-T1193 VanDerWaalsContact O-N 3.13Å; N1191-T1193 PolarHBondContact OD1-N 3.18Å; N1191-T1193 VanDerWaalsContact OD1-N 3.14Å; N1191-T1193 PolarHBondContact OD1-OG1 3.21Å |
| 1194 | T | 78.7 | Confident | 82.7 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -34.6 | 173.3 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | N1191 S1208 | N1191-T1194 PolarHBondContact ND2-OG1 2.87Å; N1191-T1194 PolarHBondContact O-N 3.2Å; N1191-T1194 VanDerWaalsContact O-N 3.12Å; T1194-S1208 WeakPolarHBondContact O-CB 3.28Å; T1194-S1208 PolarHBondContact O-OG 3.05Å |
| 1195 | W | 86.8 | Confident | 82.6 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 2% | 0.019 | 38% | 0.384 | C | S | . | . | trans | -121.8 | 131.8 | -167.2 | -64.9 | 92.9 | 0 | 0 | 0 | 113.7 | V1166 I1190 N1191 H1192 L1206 F1207 A1211 D1215 Y1219 L1238 | V1166-W1195 HydrophobicContact CB-CH2 3.72Å; V1166-W1195 HydrophobicContact CB-CZ3 3.91Å; V1166-W1195 HydrophobicContact CG1-CH2 3.61Å; V1166-W1195 HydrophobicContact CG1-CZ3 3.85Å; V1166-W1195 HydrophobicContact CG2-CH2 4.18Å; I1190-W1195 HydrophobicContact CD1-CB 4.14Å; I1190-W1195 HydrophobicContact CD1-CD2 4.43Å; I1190-W1195 HydrophobicContact CD1-CG 4.02Å; I1190-W1195 HydrophobicContact CG1-CB 4.03Å; I1190-W1195 HydrophobicContact CG1-CG 4.01Å; N1191-W1195 PolarHBondContact O-N 3.3Å; H1192-W1195 WeakPolarHBondContact CA-O 3.22Å; W1195-L1206 HydrophobicContact CB-CD1 3.92Å; W1195-L1206 HydrophobicContact CD2-CD1 4.44Å; W1195-L1206 HydrophobicContact CD2-CG 4.44Å; W1195-L1206 HydrophobicContact CE3-CD1 4.03Å; W1195-L1206 HydrophobicContact CE3-CD2 4.09Å; W1195-L1206 HydrophobicContact CE3-CG 3.68Å; W1195-L1206 HydrophobicContact CG-CD1 4.43Å; W1195-L1206 HydrophobicContact CZ3-CD2 4.4Å; W1195-L1206 HydrophobicContact CZ3-CG 4.2Å; W1195-F1207 WeakPolarHBondContact CA-O 3.47Å; W1195-A1211 HydrophobicContact CH2-CB 4.18Å; W1195-A1211 HydrophobicContact CZ2-CB 3.91Å; W1195-D1215 HydrophobicContact CZ2-CB 4.36Å; W1195-Y1219 HydrophobicContact CD2-CE1 4.45Å; W1195-Y1219 HydrophobicContact CH2-CE1 4.47Å; W1195-Y1219 HydrophobicContact CZ2-CE1 4.1Å; W1195-Y1219 AromaticContact CZ2-CZ 3.72Å; W1195-Y1219 WeakPolarHBondContact CZ2-OH 3.49Å; W1195-L1238 HydrophobicContact CH2-CD2 4.32Å; W1195-L1238 HydrophobicContact CZ2-CD2 4.47Å | ||
| 1196 | R | 82.8 | Confident | 82.6 | Confident | 171 Ų | 171 | 68.9 Ų | 68.9 | 65% | 0.645 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 143.9 | 171 | -63.4 | -175.9 | 179.9 | -178.5 | 0.5 | 110.4 | L1206 F1207 | R1196-L1206 WeakPolarHBondContact O-CA 3.49Å; R1196-F1207 PolarHBondContact N-O 2.78Å; R1196-F1207 PolarHBondContact O-N 3.32Å |
| 1197 | I | 85.2 | Confident | 82.9 | Confident | 58 Ų | 58 | 68.2 Ų | 68.2 | 30% | 0.297 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.4 | 173.2 | -56.8 | 164.6 | 0 | 0 | 0 | 107.4 | W1183 I1190 I1205 L1206 | W1183-I1197 HydrophobicContact CB-CD1 4.17Å; W1183-I1197 HydrophobicContact CG-CD1 4.33Å; W1183-I1197 HydrophobicContact CG-CG1 4.46Å; I1190-I1197 HydrophobicContact CG2-CD1 4.22Å; I1197-I1205 WeakPolarHBondContact CA-O 3.11Å; I1197-L1206 HydrophobicContact CG1-CD1 3.87Å |
| 1198 | D | 80.2 | Confident | 83.7 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 146.5 | 167.4 | -171.7 | 12.9 | 0 | 0 | 0 | 108.6 | S1204 I1205 | D1198-S1204 CarbonylContact O-C 3.56Å; D1198-S1204 VanDerWaalsContact O-CA 3.28Å; D1198-S1204 WeakPolarHBondContact O-CA 3.49Å; D1198-S1204 PolarHBondContact O-OG 2.87Å; D1198-S1204 VanDerWaalsContact O-OG 3.13Å; D1198-I1205 HydrophobicContact CB-CB 4.4Å; D1198-I1205 PolarHBondContact N-O 2.82Å; D1198-I1205 PolarHBondContact O-N 2.55Å |
| 1199 | T | 83.5 | Confident | 83.8 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 26% | 0.258 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 121.2 | -169.5 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | Y1172 I1178 P1179 V1181 S1204 | Y1172-T1199 WeakPolarHBondContact OH-CG2 3.45Å; I1178-T1199 HydrophobicContact CG2-CG2 4.46Å; P1179-T1199 HydrophobicContact CG-CG2 4.3Å; V1181-T1199 HydrophobicContact CB-CG2 4.38Å; V1181-T1199 HydrophobicContact CG2-CG2 3.66Å; T1199-S1204 PolarHBondContact OG1-OG 2.96Å |
| 1200 | D | 81.2 | Confident | 83.8 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | trans | -120.1 | -169.2 | 172.8 | 69.7 | 42 | 0 | 0 | 0 | 111.8 | Y1172 N1202 R1203 | Y1172-D1200 PolarHBondContact OH-O 2.89Å; D1200-N1202 PolarHBondContact O-N 3.38Å; D1200-N1202 PolarHBondContact OD1-N 3.28Å; D1200-R1203 PolarHBondContact N-O 2.96Å; D1200-R1203 VanDerWaalsContact OD1-CG 3.27Å; D1200-R1203 WeakPolarHBondContact OD1-CG 3.36Å; D1200-R1203 PolarHBondContact OD1-N 3.03Å; D1200-R1203 WeakPolarHBondContact OD2-CG 3.32Å; D1200-R1203 IonicContact OD2-CZ 3.94Å; D1200-R1203 IonicContact OD2-NE 2.93Å; D1200-R1203 PolarHBondContact OD2-NE 3.15Å; D1200-R1203 IonicContact OD2-NH2 3.38Å; D1200-R1203 PolarHBondContact OD2-NH2 2.94Å | ||
| 1201 | M | 79.4 | Confident | 83.6 | Confident | 62 Ų | 62 | 63 Ų | 63 | 31% | 0.305 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -62.3 | -24.4 | -178.9 | -76.1 | -58.8 | -49.3 | 0 | 0 | 114.6 | Y1172 L1175 V1177 I1178 | Y1172-M1201 VanDerWaalsContact CE2-O 3.28Å; Y1172-M1201 WeakPolarHBondContact CE2-O 3.31Å; L1175-M1201 HydrophobicContact CB-CE 4.19Å; L1175-M1201 WeakPolarHBondContact O-CE 3.46Å; V1177-M1201 VanDerWaalsContact C-SD 3.58Å; I1178-M1201 HydrophobicContact CB-SD 4.34Å; I1178-M1201 HydrophobicContact CG1-CG 4.31Å; I1178-M1201 HydrophobicContact CG1-SD 3.55Å; I1178-M1201 VanDerWaalsContact CG1-SD 3.55Å; I1178-M1201 PolarHBondContact N-SD 2.9Å |
| 1202 | N | 82.7 | Confident | 83.6 | Confident | 94 Ų | 94 | 62.5 Ų | 62.5 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -128.6 | -2.5 | -169.3 | -62.5 | -15.5 | 0 | 0 | 0 | 113.9 | S1171 Y1172 D1200 | S1171-N1202 WeakPolarHBondContact CA-O 3.42Å; Y1172-N1202 VanDerWaalsContact CD2-C 3.5Å; Y1172-N1202 VanDerWaalsContact CE2-C 3.47Å; Y1172-N1202 PolarHBondContact N-O 2.86Å; Y1172-N1202 CarbonylContact O-C 3.45Å; Y1172-N1202 VanDerWaalsContact O-CA 3.27Å; Y1172-N1202 WeakPolarHBondContact O-CA 3.35Å; D1200-N1202 PolarHBondContact O-N 3.38Å; D1200-N1202 PolarHBondContact OD1-N 3.28Å |
| 1203 | R | 87 | Confident | 83.5 | Confident | 113 Ų | 113 | 59.1 Ų | 59.1 | 43% | 0.426 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 154.3 | 177.2 | 51.5 | 174.8 | -177.1 | -177.4 | 2.4 | 113.2 | T1169 V1170 Y1172 D1200 | T1169-R1203 HydrophobicContact CG2-CB 4.41Å; V1170-R1203 CarbonylContact O-C 3.59Å; V1170-R1203 WeakPolarHBondContact O-CA 3.34Å; V1170-R1203 VanDerWaalsContact O-CB 3.31Å; V1170-R1203 WeakPolarHBondContact O-CB 3.34Å; Y1172-R1203 VanDerWaalsContact CE1-C 3.44Å; Y1172-R1203 PolarHBondContact OH-O 3.09Å; Y1172-R1203 VanDerWaalsContact OH-O 3.05Å; D1200-R1203 PolarHBondContact N-O 2.96Å; D1200-R1203 VanDerWaalsContact OD1-CG 3.27Å; D1200-R1203 WeakPolarHBondContact OD1-CG 3.36Å; D1200-R1203 PolarHBondContact OD1-N 3.03Å; D1200-R1203 WeakPolarHBondContact OD2-CG 3.32Å; D1200-R1203 IonicContact OD2-CZ 3.94Å; D1200-R1203 IonicContact OD2-NE 2.93Å; D1200-R1203 PolarHBondContact OD2-NE 3.15Å; D1200-R1203 IonicContact OD2-NH2 3.38Å; D1200-R1203 PolarHBondContact OD2-NH2 2.94Å |
| 1204 | S | 89.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.2 | 160.8 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | V1170 W1183 D1198 T1199 | V1170-S1204 PolarHBondContact N-O 3.34Å; V1170-S1204 PolarHBondContact O-N 3.11Å; W1183-S1204 PolarHBondContact NE1-OG 3.27Å; W1183-S1204 VanDerWaalsContact NE1-OG 3.15Å; D1198-S1204 CarbonylContact O-C 3.56Å; D1198-S1204 VanDerWaalsContact O-CA 3.28Å; D1198-S1204 WeakPolarHBondContact O-CA 3.49Å; D1198-S1204 PolarHBondContact O-OG 2.87Å; D1198-S1204 VanDerWaalsContact O-OG 3.13Å; T1199-S1204 PolarHBondContact OG1-OG 2.96Å |
| 1205 | I | 86.1 | Confident | 84 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.6 | -178.2 | -55 | 173 | 0 | 0 | 0 | 107.9 | T1167 T1169 I1197 D1198 | T1167-I1205 HydrophobicContact CG2-CG2 3.73Å; T1169-I1205 HydrophobicContact CG2-CG1 4.14Å; I1197-I1205 WeakPolarHBondContact CA-O 3.11Å; D1198-I1205 HydrophobicContact CB-CB 4.4Å; D1198-I1205 PolarHBondContact N-O 2.82Å; D1198-I1205 PolarHBondContact O-N 2.55Å |
| 1206 | L | 89.5 | Confident | 83.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 122.4 | 169.5 | 178.2 | 70.8 | 0 | 0 | 0 | 109.1 | T1167 I1168 W1183 I1190 W1195 R1196 I1197 Y1219 | T1167-L1206 CarbonylContact C-O 3.58Å; T1167-L1206 WeakPolarHBondContact CA-O 3.43Å; I1168-L1206 HydrophobicContact CB-CB 4.28Å; I1168-L1206 HydrophobicContact CD1-CD2 4.29Å; I1168-L1206 PolarHBondContact N-O 3.03Å; I1168-L1206 PolarHBondContact O-N 3.4Å; W1183-L1206 HydrophobicContact CD2-CB 3.98Å; W1183-L1206 HydrophobicContact CD2-CD1 4.41Å; W1183-L1206 HydrophobicContact CD2-CD2 3.89Å; W1183-L1206 HydrophobicContact CD2-CG 4.31Å; W1183-L1206 HydrophobicContact CE3-CB 4.2Å; W1183-L1206 HydrophobicContact CE3-CD2 3.5Å; W1183-L1206 HydrophobicContact CE3-CG 4.36Å; W1183-L1206 HydrophobicContact CG-CD1 4.32Å; W1183-L1206 HydrophobicContact CG-CD2 4.47Å; W1183-L1206 HydrophobicContact CH2-CB 3.85Å; W1183-L1206 HydrophobicContact CH2-CD2 4.3Å; W1183-L1206 HydrophobicContact CZ2-CB 3.66Å; W1183-L1206 HydrophobicContact CZ3-CB 4.14Å; W1183-L1206 HydrophobicContact CZ3-CD2 3.73Å; I1190-L1206 HydrophobicContact CD1-CD1 3.52Å; I1190-L1206 HydrophobicContact CD1-CD2 3.47Å; I1190-L1206 VanDerWaalsContact CD1-CD2 3.47Å; I1190-L1206 HydrophobicContact CD1-CG 4.11Å; W1195-L1206 HydrophobicContact CB-CD1 3.92Å; W1195-L1206 HydrophobicContact CD2-CD1 4.44Å; W1195-L1206 HydrophobicContact CD2-CG 4.44Å; W1195-L1206 HydrophobicContact CE3-CD1 4.03Å; W1195-L1206 HydrophobicContact CE3-CD2 4.09Å; W1195-L1206 HydrophobicContact CE3-CG 3.68Å; W1195-L1206 HydrophobicContact CG-CD1 4.43Å; W1195-L1206 HydrophobicContact CZ3-CD2 4.4Å; W1195-L1206 HydrophobicContact CZ3-CG 4.2Å; R1196-L1206 WeakPolarHBondContact O-CA 3.49Å; I1197-L1206 HydrophobicContact CG1-CD1 3.87Å; L1206-Y1219 HydrophobicContact CD2-CD1 3.5Å; L1206-Y1219 VanDerWaalsContact CD2-CD1 3.5Å; L1206-Y1219 HydrophobicContact CD2-CE1 3.97Å; L1206-Y1219 HydrophobicContact CD2-CG 4.29Å |
| 1207 | F | 89.8 | Confident | 83.9 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 140.6 | -170.8 | 173.1 | -95.6 | 0 | 0 | 0 | 112.8 | V1166 W1195 R1196 A1209 | V1166-F1207 WeakPolarHBondContact O-CA 2.99Å; V1166-F1207 WeakPolarHBondContact O-CD2 3.45Å; W1195-F1207 WeakPolarHBondContact CA-O 3.47Å; R1196-F1207 PolarHBondContact N-O 2.78Å; R1196-F1207 PolarHBondContact O-N 3.32Å; F1207-A1209 HydrophobicContact CE1-CB 4.24Å; F1207-A1209 HydrophobicContact CZ-CB 4.12Å |
| 1208 | S | 88.8 | Confident | 84 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 134.2 | 164.8 | -173.1 | 0 | 0 | 0 | 0 | 112.1 | P1165 V1166 T1194 N1210 A1211 | P1165-S1208 CarbonylContact C-O 3.59Å; P1165-S1208 WeakPolarHBondContact CA-O 3.48Å; V1166-S1208 PolarHBondContact N-O 3.23Å; V1166-S1208 PolarHBondContact O-N 3.02Å; T1194-S1208 WeakPolarHBondContact O-CB 3.28Å; T1194-S1208 PolarHBondContact O-OG 3.05Å; S1208-N1210 PolarHBondContact OG-N 3.31Å; S1208-N1210 VanDerWaalsContact OG-N 3.1Å; S1208-A1211 PolarHBondContact OG-N 2.89Å |
| 1209 | A | 81.1 | Confident | 84.4 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 21% | 0.207 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -87.9 | -12.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113 | F488 F1207 | F488-A1209 HydrophobicContact CE1-CB 4.49Å; F1207-A1209 HydrophobicContact CE1-CB 4.24Å; F1207-A1209 HydrophobicContact CZ-CB 4.12Å |
| 1210 | N | 81.6 | Confident | 84.7 | Confident | 115 Ų | 115 | 45.9 Ų | 45.9 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -125 | 24.4 | -166.3 | -62.8 | 5.7 | 0 | 0 | 0 | 112.4 | S1208 | S1208-N1210 PolarHBondContact OG-N 3.31Å; S1208-N1210 VanDerWaalsContact OG-N 3.1Å |
| 1211 | A | 80 | Confident | 85.1 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | trans | -69 | 142 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1163 V1166 W1195 S1208 D1215 | L1163-A1211 HydrophobicContact CB-CB 4.42Å; L1163-A1211 WeakPolarHBondContact CB-O 3.36Å; L1163-A1211 HydrophobicContact CD1-CB 4.15Å; L1163-A1211 PolarHBondContact N-O 3.01Å; V1166-A1211 HydrophobicContact CG2-CB 3.63Å; W1195-A1211 HydrophobicContact CH2-CB 4.18Å; W1195-A1211 HydrophobicContact CZ2-CB 3.91Å; S1208-A1211 PolarHBondContact OG-N 2.89Å; A1211-D1215 WeakPolarHBondContact CA-OD2 3.01Å | ||
| 1212 | H | 83.9 | Confident | 85.5 | Confident | 70 Ų | 70 | 42.2 Ų | 42.2 | 32% | 0.324 | 22% | 0.221 | S | C | . | . | B | Isolated β-bridge | trans | -113.7 | 162.1 | -178.1 | 179.6 | -110.5 | 0 | 0 | 0 | 110.5 | T1160 G1161 S1214 D1215 | T1160-H1212 PolarHBondContact O-CD2 2.86Å; T1160-H1212 VanDerWaalsContact O-CD2 3.3Å; T1160-H1212 PolarHBondContact O-NE2 3.24Å; G1161-H1212 CarbonylContact O-C 3.57Å; G1161-H1212 PolarHBondContact O-CD2 3.42Å; H1212-S1214 WeakPolarHBondContact ND1-CB 3.26Å; H1212-S1214 PolarHBondContact ND1-N 2.91Å; H1212-S1214 PolarHBondContact ND1-OG 3.31Å; H1212-S1214 PolarHBondContact O-N 3.46Å; H1212-D1215 PolarHBondContact N-OD2 3.45Å; H1212-D1215 WeakPolarHBondContact O-CB 3.47Å; H1212-D1215 PolarHBondContact O-N 2.89Å |
| 1213 | I | 80.1 | Confident | 85.8 | Confident | 66 Ų | 66 | 37.8 Ų | 37.8 | 34% | 0.338 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -58.2 | -17.1 | 178.9 | -166.7 | 162.3 | 0 | 0 | 0 | 113.8 | T1155 G1161 Q1216 T1240 | T1155-I1213 HydrophobicContact CG2-CD1 4.13Å; G1161-I1213 PolarHBondContact O-N 3.48Å; I1213-Q1216 VanDerWaalsContact CG1-NE2 3.28Å; I1213-Q1216 WeakPolarHBondContact O-CG 3.35Å; I1213-Q1216 PolarHBondContact O-NE2 3.3Å; I1213-T1240 HydrophobicContact CD1-CG2 4.25Å; I1213-T1240 HydrophobicContact CG1-CG2 3.95Å |
| 1214 | S | 81.4 | Confident | 85.8 | Confident | 77 Ų | 77 | 37.5 Ų | 37.5 | 54% | 0.538 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -80.2 | -10.1 | 171.8 | 61.3 | 0 | 0 | 0 | 0 | 115.4 | Y1185 H1212 | Y1185-S1214 PolarHBondContact OH-O 3.11Å; H1212-S1214 WeakPolarHBondContact ND1-CB 3.26Å; H1212-S1214 PolarHBondContact ND1-N 2.91Å; H1212-S1214 PolarHBondContact ND1-OG 3.31Å; H1212-S1214 PolarHBondContact O-N 3.46Å |
| 1215 | D | 84.1 | Confident | 85.5 | Confident | 28 Ų | 28 | 37.7 Ų | 37.7 | 15% | 0.15 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -86.1 | 7.3 | 175.3 | -62 | -49 | 0 | 0 | 0 | 112 | Y1185 W1195 A1211 H1212 G1217 Y1219 | Y1185-D1215 VanDerWaalsContact CE2-O 3.24Å; Y1185-D1215 WeakPolarHBondContact CE2-O 3.44Å; W1195-D1215 HydrophobicContact CZ2-CB 4.36Å; A1211-D1215 WeakPolarHBondContact CA-OD2 3.01Å; H1212-D1215 PolarHBondContact N-OD2 3.45Å; H1212-D1215 WeakPolarHBondContact O-CB 3.47Å; H1212-D1215 PolarHBondContact O-N 2.89Å; D1215-G1217 PolarHBondContact O-N 3.44Å; D1215-Y1219 PolarHBondContact O-OH 2.96Å |
| 1216 | Q | 83.2 | Confident | 85.2 | Confident | 64 Ų | 64 | 37.6 Ų | 37.6 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | trans | -66.2 | 128.9 | 172.9 | -76.8 | -179.4 | 89.2 | 0 | 0 | 112.1 | Y1185 I1213 L1238 T1240 | Y1185-Q1216 PolarHBondContact OH-O 3.11Å; I1213-Q1216 VanDerWaalsContact CG1-NE2 3.28Å; I1213-Q1216 WeakPolarHBondContact O-CG 3.35Å; I1213-Q1216 PolarHBondContact O-NE2 3.3Å; Q1216-L1238 WeakPolarHBondContact CA-O 3.45Å; Q1216-T1240 VanDerWaalsContact CD-OG1 3.26Å; Q1216-T1240 HydrophobicContact CG-CG2 4.17Å; Q1216-T1240 PolarHBondContact NE2-OG1 2.89Å; Q1216-T1240 VanDerWaalsContact NE2-OG1 3.11Å; Q1216-T1240 PolarHBondContact OE1-OG1 3.41Å; Q1216-T1240 VanDerWaalsContact OE1-OG1 3.04Å | ||
| 1217 | G | 84.5 | Confident | 84.6 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 11% | 0.113 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.2 | -167.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1215 T1237 L1238 | D1215-G1217 PolarHBondContact O-N 3.44Å; G1217-T1237 CarbonylContact O-C 3.59Å; G1217-T1237 WeakPolarHBondContact O-CA 3.17Å; G1217-L1238 PolarHBondContact N-O 2.91Å; G1217-L1238 PolarHBondContact O-N 2.81Å |
| 1218 | V | 86.3 | Confident | 83.9 | Confident | 52 Ų | 52 | 36.4 Ų | 36.4 | 32% | 0.315 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 114.6 | -178.4 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | N1186 K1235 T1237 | N1186-V1218 PolarHBondContact N-O 2.72Å; N1186-V1218 PolarHBondContact OD1-N 2.8Å; V1218-K1235 HydrophobicContact CG1-CB 4.02Å; V1218-K1235 HydrophobicContact CG1-CD 3.93Å; V1218-K1235 HydrophobicContact CG1-CG 4.41Å; V1218-T1237 HydrophobicContact CG2-CG2 4.28Å |
| 1219 | Y | 89.9 | Confident | 83.1 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 123.8 | 169.9 | -69.5 | -94.5 | 0 | 0 | 0 | 109.2 | I1168 T1184 Y1185 I1190 W1195 L1206 D1215 K1235 R1236 L1238 | I1168-Y1219 HydrophobicContact CD1-CD1 4.38Å; I1168-Y1219 HydrophobicContact CD1-CD2 3.85Å; I1168-Y1219 HydrophobicContact CD1-CE2 4.37Å; I1168-Y1219 HydrophobicContact CD1-CG 3.86Å; T1184-Y1219 CarbonylContact O-C 3.59Å; T1184-Y1219 WeakPolarHBondContact O-CA 3.36Å; Y1185-Y1219 HydrophobicContact CD2-CD1 4.36Å; Y1185-Y1219 HydrophobicContact CD2-CD2 4.28Å; Y1185-Y1219 AromaticContact CD2-CE1 3.87Å; Y1185-Y1219 HydrophobicContact CD2-CE1 3.87Å; Y1185-Y1219 AromaticContact CD2-CE2 3.76Å; Y1185-Y1219 HydrophobicContact CD2-CE2 3.76Å; Y1185-Y1219 AromaticContact CD2-CZ 3.53Å; Y1185-Y1219 HydrophobicContact CE2-CE2 4.03Å; Y1185-Y1219 AromaticContact CE2-CZ 3.99Å; Y1185-Y1219 HydrophobicContact CG-CE1 4.34Å; I1190-Y1219 HydrophobicContact CD1-CD1 3.78Å; I1190-Y1219 HydrophobicContact CD1-CE1 3.68Å; W1195-Y1219 HydrophobicContact CD2-CE1 4.45Å; W1195-Y1219 HydrophobicContact CH2-CE1 4.47Å; W1195-Y1219 HydrophobicContact CZ2-CE1 4.1Å; W1195-Y1219 AromaticContact CZ2-CZ 3.72Å; W1195-Y1219 WeakPolarHBondContact CZ2-OH 3.49Å; L1206-Y1219 HydrophobicContact CD2-CD1 3.5Å; L1206-Y1219 VanDerWaalsContact CD2-CD1 3.5Å; L1206-Y1219 HydrophobicContact CD2-CE1 3.97Å; L1206-Y1219 HydrophobicContact CD2-CG 4.29Å; D1215-Y1219 PolarHBondContact O-OH 2.96Å; Y1219-K1235 CarbonylContact O-C 3.57Å; Y1219-K1235 VanDerWaalsContact O-CA 3.29Å; Y1219-K1235 WeakPolarHBondContact O-CA 3.48Å; Y1219-R1236 PolarHBondContact N-O 2.97Å; Y1219-R1236 PolarHBondContact O-N 3.1Å; Y1219-L1238 HydrophobicContact CD2-CB 4.12Å; Y1219-L1238 HydrophobicContact CE2-CB 3.78Å; Y1219-L1238 HydrophobicContact CE2-CD2 3.95Å |
| 1220 | E | 88.6 | Confident | 82.7 | Confident | 28 Ų | 28 | 43.4 Ų | 43.4 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.3 | 174.9 | 177.6 | 177.8 | 156.7 | 0 | 0 | 109.6 | W1183 T1184 K1233 T1234 K1235 | W1183-E1220 WeakPolarHBondContact CA-O 3.49Å; T1184-E1220 PolarHBondContact N-O 2.83Å; T1184-E1220 PolarHBondContact O-N 2.82Å; T1184-E1220 PolarHBondContact OG1-O 2.82Å; E1220-K1233 IonicContact OE1-NZ 3.15Å; E1220-K1233 PolarHBondContact OE1-NZ 2.78Å; E1220-T1234 WeakPolarHBondContact CA-O 3.2Å; E1220-K1235 HydrophobicContact CB-CD 4.47Å; E1220-K1235 HydrophobicContact CB-CG 4.15Å; E1220-K1235 HydrophobicContact CG-CG 4.13Å; E1220-K1235 WeakPolarHBondContact OE2-CE 3.21Å; E1220-K1235 IonicContact OE2-NZ 2.6Å; E1220-K1235 PolarHBondContact OE2-NZ 2.69Å |
| 1221 | C | 89.4 | Confident | 82.8 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 122 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | V1170 V1181 W1183 K1233 T1234 | V1170-C1221 HydrophobicContact CG2-CB 4.11Å; V1181-C1221 VanDerWaalsContact CG1-SG 3.59Å; W1183-C1221 HydrophobicContact CD2-CB 3.85Å; W1183-C1221 VanDerWaalsContact CE2-SG 3.55Å; W1183-C1221 HydrophobicContact CE3-CB 3.77Å; W1183-C1221 HydrophobicContact CH2-CB 3.82Å; W1183-C1221 HydrophobicContact CZ2-CB 3.84Å; W1183-C1221 HydrophobicContact CZ3-CB 3.77Å; C1221-K1233 WeakPolarHBondContact O-CA 3.46Å; C1221-T1234 HydrophobicContact CB-CG2 3.94Å; C1221-T1234 PolarHBondContact N-O 2.95Å; C1221-T1234 PolarHBondContact O-N 2.86Å |
| 1222 | E | 89.3 | Confident | 83 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 105.4 | 178.6 | -176.1 | -176.3 | 123.5 | 0 | 0 | 108.3 | V1181 K1182 I1231 K1233 | V1181-E1222 WeakPolarHBondContact CA-O 3.48Å; K1182-E1222 HydrophobicContact CB-CB 4.35Å; K1182-E1222 PolarHBondContact N-O 3.01Å; K1182-E1222 PolarHBondContact O-N 2.83Å; E1222-I1231 HydrophobicContact CG-CG2 3.39Å; E1222-K1233 HydrophobicContact CB-CG 4.46Å; E1222-K1233 HydrophobicContact CG-CG 4.31Å; E1222-K1233 IonicContact OE2-NZ 2.69Å; E1222-K1233 PolarHBondContact OE2-NZ 2.8Å |
| 1223 | I | 88.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124.6 | -178.9 | -61 | 150.6 | 0 | 0 | 0 | 107.9 | V1170 Y1172 L1175 P1179 V1181 I1231 L1232 | V1170-I1223 HydrophobicContact CG1-CD1 3.88Å; Y1172-I1223 HydrophobicContact CD1-CD1 3.45Å; Y1172-I1223 VanDerWaalsContact CD1-CD1 3.45Å; Y1172-I1223 HydrophobicContact CD1-CG1 4.32Å; Y1172-I1223 HydrophobicContact CE1-CD1 3.74Å; Y1172-I1223 HydrophobicContact CE1-CG1 4.16Å; Y1172-I1223 HydrophobicContact CG-CD1 4.4Å; L1175-I1223 HydrophobicContact CD1-CG2 4.45Å; P1179-I1223 HydrophobicContact CB-CG2 3.75Å; P1179-I1223 HydrophobicContact CG-CG2 4.01Å; V1181-I1223 HydrophobicContact CG1-CG1 4.04Å; V1181-I1223 HydrophobicContact CG2-CB 4.41Å; V1181-I1223 HydrophobicContact CG2-CG1 4.02Å; V1181-I1223 HydrophobicContact CG2-CG2 4.24Å; I1223-I1231 CarbonylContact O-C 3.44Å; I1223-I1231 WeakPolarHBondContact O-CA 3.34Å; I1223-L1232 HydrophobicContact CB-CB 4.21Å; I1223-L1232 PolarHBondContact N-O 2.81Å; I1223-L1232 PolarHBondContact O-N 2.97Å |
| 1224 | R | 86.3 | Confident | 83.3 | Confident | 107 Ų | 107 | 42.5 Ų | 42.5 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.5 | 176.1 | -175.9 | 178.5 | -57.7 | -163.8 | 0.7 | 111.1 | P1179 D1180 | P1179-R1224 WeakPolarHBondContact CA-O 3.25Å; P1179-R1224 VanDerWaalsContact CB-O 3.27Å; P1179-R1224 WeakPolarHBondContact CB-O 3.44Å; D1180-R1224 HydrophobicContact CB-CB 4.34Å; D1180-R1224 PolarHBondContact N-O 2.91Å; D1180-R1224 WeakPolarHBondContact O-CB 3.48Å; D1180-R1224 PolarHBondContact O-N 2.96Å |
| 1225 | D | 83.5 | Confident | 83.5 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | trans | -79.2 | 134.5 | 163.8 | 178 | 25.3 | 0 | 0 | 0 | 110.4 | P1142 L1175 V1227 T1228 N1229 T1230 | P1142-D1225 HydrophobicContact CG-CB 4.1Å; L1175-D1225 HydrophobicContact CD2-CB 3.61Å; D1225-V1227 PolarHBondContact OD1-N 2.91Å; D1225-V1227 PolarHBondContact OD2-N 2.91Å; D1225-T1228 VanDerWaalsContact OD2-CB 3.28Å; D1225-T1228 WeakPolarHBondContact OD2-CB 3.43Å; D1225-T1228 WeakPolarHBondContact OD2-CG2 3.36Å; D1225-T1228 PolarHBondContact OD2-N 3.27Å; D1225-T1228 PolarHBondContact OD2-OG1 2.92Å; D1225-N1229 VanDerWaalsContact O-CA 3.3Å; D1225-N1229 WeakPolarHBondContact O-CA 3.48Å; D1225-N1229 PolarHBondContact O-N 2.71Å; D1225-T1230 PolarHBondContact N-O 3.1Å; D1225-T1230 VanDerWaalsContact N-O 3.08Å | ||
| 1226 | Y | 79.4 | Confident | 83.5 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 12% | 0.122 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -80.9 | -15.4 | 175.5 | -81.9 | -75.4 | 0 | 0 | 0 | 113.7 | L1074 K1077 V1177 D1180 | L1074-Y1226 HydrophobicContact CD1-CD1 3.72Å; L1074-Y1226 HydrophobicContact CD1-CD2 3.86Å; L1074-Y1226 HydrophobicContact CD1-CE1 4.09Å; L1074-Y1226 HydrophobicContact CD1-CE2 4.21Å; L1074-Y1226 HydrophobicContact CD1-CG 3.59Å; L1074-Y1226 HydrophobicContact CD2-CD2 3.88Å; L1074-Y1226 HydrophobicContact CD2-CE2 3.67Å; L1074-Y1226 HydrophobicContact CD2-CG 4.46Å; K1077-Y1226 HydrophobicContact CB-CE1 4.45Å; K1077-Y1226 WeakPolarHBondContact CG-OH 3.09Å; K1077-Y1226 PolarHBondContact NZ-OH 2.82Å; V1177-Y1226 HydrophobicContact CG2-CD2 4.44Å; D1180-Y1226 HydrophobicContact CB-CE2 4.2Å; D1180-Y1226 PolarHBondContact OD1-OH 2.55Å; D1180-Y1226 PolarHBondContact OD2-OH 2.87Å |
| 1227 | V | 76.1 | Confident | 83.6 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -94.8 | -51.1 | -174.2 | -173 | 0 | 0 | 0 | 0 | 112.2 | F1072 L1079 T1139 V1177 D1225 | F1072-V1227 HydrophobicContact CB-CG2 4.36Å; F1072-V1227 HydrophobicContact CD1-CG1 4.31Å; F1072-V1227 HydrophobicContact CD2-CG1 3.61Å; F1072-V1227 HydrophobicContact CD2-CG2 4.23Å; F1072-V1227 HydrophobicContact CE1-CG1 4.07Å; F1072-V1227 HydrophobicContact CE2-CG1 3.34Å; F1072-V1227 HydrophobicContact CG-CG1 4.1Å; F1072-V1227 HydrophobicContact CG-CG2 4.21Å; F1072-V1227 HydrophobicContact CZ-CG1 3.59Å; L1079-V1227 HydrophobicContact CD1-CG2 3.93Å; L1079-V1227 HydrophobicContact CD2-CG1 4.42Å; L1079-V1227 HydrophobicContact CD2-CG2 4.41Å; T1139-V1227 HydrophobicContact CG2-CG1 3.9Å; V1177-V1227 HydrophobicContact CG2-CG2 4.22Å; D1225-V1227 PolarHBondContact OD1-N 2.91Å; D1225-V1227 PolarHBondContact OD2-N 2.91Å |
| 1228 | T | 75.7 | Confident | 83.6 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -83.3 | -13.6 | 175 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | T1139 D1225 T1230 | T1139-T1228 HydrophobicContact CG2-CG2 3.42Å; T1139-T1228 VanDerWaalsContact CG2-CG2 3.42Å; D1225-T1228 VanDerWaalsContact OD2-CB 3.28Å; D1225-T1228 WeakPolarHBondContact OD2-CB 3.43Å; D1225-T1228 WeakPolarHBondContact OD2-CG2 3.36Å; D1225-T1228 PolarHBondContact OD2-N 3.27Å; D1225-T1228 PolarHBondContact OD2-OG1 2.92Å; T1228-T1230 PolarHBondContact O-N 3.45Å; T1228-T1230 WeakPolarHBondContact OG1-CB 3.3Å; T1228-T1230 WeakPolarHBondContact OG1-CG2 3.4Å; T1228-T1230 PolarHBondContact OG1-N 2.78Å; T1228-T1230 VanDerWaalsContact OG1-N 3.13Å; T1228-T1230 PolarHBondContact OG1-OG1 3.43Å |
| 1229 | N | 72.5 | Confident | 83.2 | Confident | 122 Ų | 122 | 43.7 Ų | 43.7 | 65% | 0.652 | 21% | 0.212 | S | C | * | . | trans | 54.6 | 17 | -162.7 | -78.5 | -64.8 | 0 | 0 | 0 | 114.2 | D1225 | D1225-N1229 VanDerWaalsContact O-CA 3.3Å; D1225-N1229 WeakPolarHBondContact O-CA 3.48Å; D1225-N1229 PolarHBondContact O-N 2.71Å | ||
| 1230 | T | 71.9 | Confident | 82.2 | Confident | 50 Ų | 50 | 44.7 Ų | 44.7 | 31% | 0.307 | 22% | 0.219 | S | C | . | . | trans | -69.9 | 147 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | D1225 T1228 | D1225-T1230 PolarHBondContact N-O 3.1Å; D1225-T1230 VanDerWaalsContact N-O 3.08Å; T1228-T1230 PolarHBondContact O-N 3.45Å; T1228-T1230 WeakPolarHBondContact OG1-CB 3.3Å; T1228-T1230 WeakPolarHBondContact OG1-CG2 3.4Å; T1228-T1230 PolarHBondContact OG1-N 2.78Å; T1228-T1230 VanDerWaalsContact OG1-N 3.13Å; T1228-T1230 PolarHBondContact OG1-OG1 3.43Å | ||
| 1231 | I | 83.8 | Confident | 80.5 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 94.9 | 175.2 | -59.1 | -179.7 | 0 | 0 | 0 | 107 | E1222 I1223 K1233 | E1222-I1231 HydrophobicContact CG-CG2 3.39Å; I1223-I1231 CarbonylContact O-C 3.44Å; I1223-I1231 WeakPolarHBondContact O-CA 3.34Å; I1231-K1233 HydrophobicContact CG2-CG 4.27Å |
| 1232 | L | 84.6 | Confident | 78.4 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 128.8 | 175.6 | -66.2 | 179.9 | 0 | 0 | 0 | 108.9 | P1142 I1144 I1223 | P1142-L1232 HydrophobicContact CB-CD1 3.89Å; P1142-L1232 HydrophobicContact CG-CD1 3.96Å; I1144-L1232 HydrophobicContact CD1-CB 4.06Å; I1144-L1232 HydrophobicContact CG1-CB 4.13Å; I1144-L1232 HydrophobicContact CG1-CD1 4.15Å; I1223-L1232 HydrophobicContact CB-CB 4.21Å; I1223-L1232 PolarHBondContact N-O 2.81Å; I1223-L1232 PolarHBondContact O-N 2.97Å |
| 1233 | K | 85.5 | Confident | 75.6 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.7 | -178.2 | -78.1 | 176.2 | 169.3 | -66.9 | 0 | 110.9 | E1220 C1221 E1222 I1231 | E1220-K1233 IonicContact OE1-NZ 3.15Å; E1220-K1233 PolarHBondContact OE1-NZ 2.78Å; C1221-K1233 WeakPolarHBondContact O-CA 3.46Å; E1222-K1233 HydrophobicContact CB-CG 4.46Å; E1222-K1233 HydrophobicContact CG-CG 4.31Å; E1222-K1233 IonicContact OE2-NZ 2.69Å; E1222-K1233 PolarHBondContact OE2-NZ 2.8Å; I1231-K1233 HydrophobicContact CG2-CG 4.27Å |
| 1234 | T | 85.6 | Confident | 72.9 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.4 | 171.1 | -173.9 | 0 | 0 | 0 | 0 | 111 | I1144 V1170 E1220 C1221 | I1144-T1234 HydrophobicContact CD1-CG2 4.22Å; V1170-T1234 HydrophobicContact CB-CG2 4.29Å; V1170-T1234 HydrophobicContact CG1-CG2 3.61Å; V1170-T1234 HydrophobicContact CG2-CG2 3.62Å; E1220-T1234 WeakPolarHBondContact CA-O 3.2Å; C1221-T1234 HydrophobicContact CB-CG2 3.94Å; C1221-T1234 PolarHBondContact N-O 2.95Å; C1221-T1234 PolarHBondContact O-N 2.86Å |
| 1235 | K | 84.9 | Confident | 70.2 | Confident | 122 Ų | 122 | 65.4 Ų | 65.4 | 53% | 0.53 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 146.3 | -178.5 | -55.7 | -162.3 | -170 | -143.1 | 0 | 110.7 | V1218 Y1219 E1220 | V1218-K1235 HydrophobicContact CG1-CB 4.02Å; V1218-K1235 HydrophobicContact CG1-CD 3.93Å; V1218-K1235 HydrophobicContact CG1-CG 4.41Å; Y1219-K1235 CarbonylContact O-C 3.57Å; Y1219-K1235 VanDerWaalsContact O-CA 3.29Å; Y1219-K1235 WeakPolarHBondContact O-CA 3.48Å; E1220-K1235 HydrophobicContact CB-CD 4.47Å; E1220-K1235 HydrophobicContact CB-CG 4.15Å; E1220-K1235 HydrophobicContact CG-CG 4.13Å; E1220-K1235 WeakPolarHBondContact OE2-CE 3.21Å; E1220-K1235 IonicContact OE2-NZ 2.6Å; E1220-K1235 PolarHBondContact OE2-NZ 2.69Å |
| 1236 | R | 84.5 | Confident | 67.8 | Low | 9 Ų | 9 | 72.9 Ų | 72.9 | 3% | 0.034 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 123.9 | 176 | -71.9 | -79.7 | -177.2 | 67.5 | 15.4 | 108.2 | K1148 I1168 T1169 Y1219 | K1148-R1236 WeakPolarHBondContact O-CD 3.48Å; K1148-R1236 PolarHBondContact O-NE 3.16Å; I1168-R1236 HydrophobicContact CG2-CB 3.85Å; I1168-R1236 HydrophobicContact CG2-CG 3.68Å; T1169-R1236 VanDerWaalsContact O-CZ 3.28Å; T1169-R1236 PolarHBondContact O-NH1 3.26Å; T1169-R1236 PolarHBondContact O-NH2 2.8Å; Y1219-R1236 PolarHBondContact N-O 2.97Å; Y1219-R1236 PolarHBondContact O-N 3.1Å |
| 1237 | T | 84.5 | Confident | 65.4 | Low | 32 Ų | 32 | 77.2 Ų | 77.2 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 142.8 | 168.6 | -36.3 | 0 | 0 | 0 | 0 | 109.7 | D1150 L1151 G1217 V1218 Q1239 | D1150-T1237 CarbonylContact C-O 3.45Å; D1150-T1237 WeakPolarHBondContact CA-O 3.46Å; D1150-T1237 WeakPolarHBondContact CB-O 3.3Å; D1150-T1237 VanDerWaalsContact CG-N 3.34Å; D1150-T1237 PolarHBondContact OD1-N 3.05Å; D1150-T1237 PolarHBondContact OD1-OG1 2.78Å; D1150-T1237 WeakPolarHBondContact OD2-CB 3.26Å; D1150-T1237 PolarHBondContact OD2-OG1 3.35Å; L1151-T1237 PolarHBondContact N-O 3.09Å; G1217-T1237 CarbonylContact O-C 3.59Å; G1217-T1237 WeakPolarHBondContact O-CA 3.17Å; V1218-T1237 HydrophobicContact CG2-CG2 4.28Å; T1237-Q1239 HydrophobicContact CG2-CG 3.85Å |
| 1238 | L | 85.4 | Confident | 63.2 | Low | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.005 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.1 | 165.8 | 172.9 | 56.9 | 0 | 0 | 0 | 108.4 | L1151 I1153 L1163 V1166 W1195 Q1216 G1217 Y1219 | L1151-L1238 HydrophobicContact CB-CD1 4.27Å; I1153-L1238 HydrophobicContact CB-CD1 4.17Å; I1153-L1238 HydrophobicContact CD1-CD1 3.43Å; I1153-L1238 VanDerWaalsContact CD1-CD1 3.43Å; I1153-L1238 HydrophobicContact CG1-CD1 3.66Å; L1163-L1238 HydrophobicContact CD1-CD2 4.21Å; V1166-L1238 HydrophobicContact CG1-CD2 4.48Å; W1195-L1238 HydrophobicContact CH2-CD2 4.32Å; W1195-L1238 HydrophobicContact CZ2-CD2 4.47Å; Q1216-L1238 WeakPolarHBondContact CA-O 3.45Å; G1217-L1238 PolarHBondContact N-O 2.91Å; G1217-L1238 PolarHBondContact O-N 2.81Å; Y1219-L1238 HydrophobicContact CD2-CB 4.12Å; Y1219-L1238 HydrophobicContact CE2-CB 3.78Å; Y1219-L1238 HydrophobicContact CE2-CD2 3.95Å |
| 1239 | Q | 76.3 | Confident | 61 | Low | 93 Ų | 93 | 90.9 Ų | 90.9 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 146.2 | -178.9 | -57.4 | -172.2 | 20.9 | 0 | 0 | 110.9 | L1151 E1152 I1153 T1237 | L1151-Q1239 PolarHBondContact O-N 3.41Å; E1152-Q1239 CarbonylContact C-O 3.57Å; E1152-Q1239 WeakPolarHBondContact CA-O 3.05Å; I1153-Q1239 PolarHBondContact N-O 3.12Å; T1237-Q1239 HydrophobicContact CG2-CG 3.85Å |
| 1240 | T | 69 | Low | 58.9 | Low | 22 Ų | 22 | 89.3 Ų | 89.3 | 14% | 0.135 | 49% | 0.489 | C | S | . | . | trans | -100 | 138.5 | 165.6 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | L1163 I1213 Q1216 S1242 | L1163-T1240 HydrophobicContact CD2-CG2 3.51Å; I1213-T1240 HydrophobicContact CD1-CG2 4.25Å; I1213-T1240 HydrophobicContact CG1-CG2 3.95Å; Q1216-T1240 VanDerWaalsContact CD-OG1 3.26Å; Q1216-T1240 HydrophobicContact CG-CG2 4.17Å; Q1216-T1240 PolarHBondContact NE2-OG1 2.89Å; Q1216-T1240 VanDerWaalsContact NE2-OG1 3.11Å; Q1216-T1240 PolarHBondContact OE1-OG1 3.41Å; Q1216-T1240 VanDerWaalsContact OE1-OG1 3.04Å; T1240-S1242 PolarHBondContact O-N 3.03Å | ||
| 1241 | Q | 54.3 | Low | 57 | Low | 130 Ų | 130 | 92.8 Ų | 92.8 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | trans | -61.7 | 118 | 177.3 | -68.6 | -179.6 | -14.8 | 0 | 0 | 111.2 | E1152 | E1152-Q1241 HydrophobicContact CB-CG 4.39Å; E1152-Q1241 WeakPolarHBondContact OE2-CG 3.43Å; E1152-Q1241 PolarHBondContact OE2-NE2 3.07Å | ||
| 1242 | S | 45.3 | Very low | 54.6 | Low | 111 Ų | 111 | 95.7 Ų | 95.7 | 78% | 0.776 | 53% | 0.526 | S | S | * | . | trans | -141.5 | 147.6 | 180 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | T1240 | T1240-S1242 PolarHBondContact O-N 3.03Š| ||
| 1243 | S | 30.6 | Very low | 52.2 | Low | 116 Ų | 116 | 98.8 Ų | 98.8 | 81% | 0.811 | 54% | 0.538 | S | S | * | . | trans | -123.5 | 47.6 | -146 | 51.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1244 | V | 31.4 | Very low | 49.5 | Very low | 126 Ų | 126 | 96.6 Ų | 96.6 | 76% | 0.764 | 54% | 0.543 | S | S | * | . | trans | -141.6 | 130.7 | 173.7 | -171.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1245 | P | 30.5 | Very low | 46.9 | Very low | 121 Ų | 121 | 100.6 Ų | 100.6 | 79% | 0.786 | 56% | 0.564 | S | S | * | * | trans | -100.4 | 150.5 | 170.5 | 36.8 | -31.6 | 0 | 0 | 0 | 113.8 | ||||
| 1246 | I | 33 | Very low | 44.5 | Very low | 161 Ų | 161 | 100.2 Ų | 100.2 | 83% | 0.826 | 57% | 0.568 | S | S | * | * | trans | -119.9 | 164.2 | -178.3 | -63.4 | 176.5 | 0 | 0 | 0 | 110.7 | ||||
| 1247 | T | 28.7 | Very low | 42.4 | Very low | 121 Ų | 121 | 106.1 Ų | 106.1 | 74% | 0.742 | 60% | 0.596 | S | S | * | * | trans | -131.2 | 123.8 | -164.5 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1248 | E | 29.7 | Very low | 40.1 | Very low | 175 Ų | 175 | 108.8 Ų | 108.8 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | trans | -142.3 | -173.2 | 174.6 | -71.6 | -155.5 | 153.4 | 0 | 0 | 114.8 | ||||
| 1249 | Q | 28.9 | Very low | 38.5 | Very low | 162 Ų | 162 | 110.2 Ų | 110.2 | 76% | 0.757 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 163.9 | -146 | -67.9 | -176.7 | 6.3 | 0 | 0 | 117.2 | ||
| 1250 | P | 29 | Very low | 37.2 | Very low | 89 Ų | 89 | 107.7 Ų | 107.7 | 58% | 0.578 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 124.3 | 177.8 | 29.4 | -35.4 | 0 | 0 | 0 | 113.7 | V1277 Y1365 | P1250-V1277 HydrophobicContact CB-CG2 4.13Å; P1250-Y1365 HydrophobicContact CB-CE1 4.22Å |
| 1251 | L | 32.1 | Very low | 36.3 | Very low | 124 Ų | 124 | 108.9 Ų | 108.9 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 142.8 | 175 | -76 | 161.3 | 0 | 0 | 0 | 112.4 | ||
| 1252 | V | 31.9 | Very low | 36.5 | Very low | 139 Ų | 139 | 103.7 Ų | 103.7 | 84% | 0.842 | 60% | 0.6 | S | S | * | * | trans | -105.7 | 116.1 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | G1254 | V1252-G1254 PolarHBondContact O-N 3.04Å; V1252-G1254 VanDerWaalsContact O-N 3.12Å | ||
| 1253 | F | 35.5 | Very low | 37.3 | Very low | 96 Ų | 96 | 100.1 Ų | 100.1 | 42% | 0.421 | 57% | 0.571 | S | S | . | * | trans | -83.1 | 84.8 | 178.3 | -80 | -83.2 | 0 | 0 | 0 | 111.7 | P1273 | F1253-P1273 HydrophobicContact CE2-CG 4.44Å; F1253-P1273 HydrophobicContact CZ-CG 4.31Å | ||
| 1254 | G | 29.5 | Very low | 38.8 | Very low | 53 Ų | 53 | 96.7 Ų | 96.7 | 55% | 0.546 | 55% | 0.545 | S | S | . | . | trans | -93.1 | 143.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V1252 | V1252-G1254 PolarHBondContact O-N 3.04Å; V1252-G1254 VanDerWaalsContact O-N 3.12Å | ||
| 1255 | N | 29.1 | Very low | 40.1 | Very low | 110 Ų | 110 | 92.3 Ų | 92.3 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | S | Bend | trans | 75.9 | 109.6 | 162 | -54.4 | -23.5 | 0 | 0 | 0 | 119.2 | Q1257 L1441 | N1255-Q1257 PolarHBondContact O-N 3.13Å; N1255-L1441 HydrophobicContact CB-CD2 3.64Å |
| 1256 | N | 35.1 | Very low | 41.6 | Very low | 114 Ų | 114 | 87.8 Ų | 87.8 | 61% | 0.61 | 49% | 0.494 | S | S | * | . | trans | 50.4 | 51.2 | 146.1 | -61.2 | 12.4 | 0 | 0 | 0 | 118.9 | T1258 | N1256-T1258 PolarHBondContact O-N 3.38Š| ||
| 1257 | Q | 40.7 | Very low | 42.9 | Very low | 133 Ų | 133 | 83.8 Ų | 83.8 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | trans | -77.8 | 110.2 | 153.3 | -74.2 | -172.8 | -20.7 | 0 | 0 | 109 | N1255 I1259 G1369 | N1255-Q1257 PolarHBondContact O-N 3.13Å; Q1257-I1259 PolarHBondContact O-N 3Å; Q1257-G1369 WeakPolarHBondContact O-CA 3.22Å | ||
| 1258 | T | 37.2 | Very low | 44.9 | Very low | 88 Ų | 88 | 78.5 Ų | 78.5 | 54% | 0.54 | 45% | 0.446 | S | S | . | . | trans | -64 | 125.7 | 173.4 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | N1256 G1260 | N1256-T1258 PolarHBondContact O-N 3.38Å; T1258-G1260 PolarHBondContact O-N 2.87Å | ||
| 1259 | I | 50.7 | Low | 46.9 | Very low | 31 Ų | 31 | 73.3 Ų | 73.3 | 16% | 0.159 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 113.8 | 164.5 | -58.7 | 170.5 | 0 | 0 | 0 | 104.5 | Q1257 I1268 I1270 Y1354 G1369 S1370 L1371 | Q1257-I1259 PolarHBondContact O-N 3Å; I1259-I1268 HydrophobicContact CG2-CD1 3.9Å; I1259-I1270 HydrophobicContact CD1-CD1 4.07Å; I1259-I1270 HydrophobicContact CD1-CG1 4.2Å; I1259-I1270 HydrophobicContact CD1-CG2 3.86Å; I1259-I1270 HydrophobicContact CG2-CG1 4.15Å; I1259-Y1354 HydrophobicContact CD1-CD2 4.12Å; I1259-Y1354 HydrophobicContact CD1-CG 4.3Å; I1259-G1369 WeakPolarHBondContact CD1-O 3.43Å; I1259-S1370 CarbonylContact C-O 3.58Å; I1259-S1370 WeakPolarHBondContact CA-O 3.11Å; I1259-S1370 WeakPolarHBondContact CB-O 3.27Å; I1259-S1370 PolarHBondContact N-O 3.37Å; I1259-L1371 HydrophobicContact CB-CB 4.32Å; I1259-L1371 HydrophobicContact CG2-CB 4.29Å; I1259-L1371 HydrophobicContact CG2-CD1 4.03Å |
| 1260 | G | 48.4 | Very low | 49.2 | Very low | 40 Ų | 40 | 66.2 Ų | 66.2 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 167.1 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T1258 V1262 | T1258-G1260 PolarHBondContact O-N 2.87Å; G1260-V1262 PolarHBondContact O-N 3.3Å |
| 1261 | M | 50.8 | Low | 51.3 | Low | 47 Ų | 47 | 68.2 Ų | 68.2 | 23% | 0.232 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 128.5 | 176.8 | -66.5 | -175.1 | -67.9 | 0 | 0 | 111.3 | S1372 V1374 H1448 Q1451 L1452 | M1261-S1372 WeakPolarHBondContact CA-O 3.26Å; M1261-V1374 HydrophobicContact CB-CG2 3.97Å; M1261-V1374 HydrophobicContact CG-CG2 4.27Å; M1261-V1374 HydrophobicContact SD-CG2 4.05Å; M1261-H1448 WeakPolarHBondContact CE-O 3.38Å; M1261-Q1451 HydrophobicContact CE-CB 4.03Å; M1261-L1452 HydrophobicContact CE-CD1 4.5Å; M1261-L1452 HydrophobicContact CE-CD2 4.1Å; M1261-L1452 HydrophobicContact CE-CG 3.96Å |
| 1262 | V | 59.3 | Low | 53.3 | Low | 21 Ų | 21 | 62.7 Ų | 62.7 | 13% | 0.127 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.7 | 179.1 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | G1260 D1266 I1268 V1346 L1371 S1372 L1373 V1374 | G1260-V1262 PolarHBondContact O-N 3.3Å; V1262-D1266 HydrophobicContact CG1-CB 3.56Å; V1262-I1268 HydrophobicContact CG1-CB 4.42Å; V1262-I1268 HydrophobicContact CG2-CB 4.47Å; V1262-I1268 HydrophobicContact CG2-CD1 3.92Å; V1262-I1268 HydrophobicContact CG2-CG1 4.03Å; V1262-V1346 HydrophobicContact CG1-CB 4.46Å; V1262-V1346 HydrophobicContact CG1-CG2 4.18Å; V1262-L1371 HydrophobicContact CB-CD1 4.21Å; V1262-L1371 HydrophobicContact CG2-CD1 4.03Å; V1262-S1372 PolarHBondContact N-O 2.81Å; V1262-L1373 HydrophobicContact CB-CD2 4.39Å; V1262-L1373 WeakPolarHBondContact O-CA 3.22Å; V1262-V1374 PolarHBondContact O-N 3.19Å |
| 1263 | F | 61.1 | Low | 54.9 | Low | 35 Ų | 35 | 58 Ų | 58 | 15% | 0.154 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 149.2 | 179.1 | -65.6 | -98.8 | 0 | 0 | 0 | 112.1 | G1265 D1266 V1374 V1377 K1507 | F1263-G1265 PolarHBondContact O-N 3.18Å; F1263-D1266 WeakPolarHBondContact CB-OD2 3.32Å; F1263-D1266 PolarHBondContact N-OD2 3.49Å; F1263-D1266 WeakPolarHBondContact O-CB 3.42Å; F1263-D1266 PolarHBondContact O-N 3.32Å; F1263-V1374 CarbonylContact C-O 3.44Å; F1263-V1374 WeakPolarHBondContact CA-O 3.41Å; F1263-V1374 HydrophobicContact CD1-CB 4.03Å; F1263-V1374 HydrophobicContact CD1-CG1 3.74Å; F1263-V1374 HydrophobicContact CE1-CB 4.12Å; F1263-V1374 HydrophobicContact CE1-CG1 3.46Å; F1263-V1374 VanDerWaalsContact CE1-CG1 3.46Å; F1263-V1374 HydrophobicContact CG-CB 4.49Å; F1263-V1374 HydrophobicContact CZ-CG1 4.15Å; F1263-V1377 HydrophobicContact CE1-CG2 4.11Å; F1263-V1377 HydrophobicContact CZ-CG2 4.03Å; F1263-K1507 HydrophobicContact CD2-CB 4.47Å; F1263-K1507 HydrophobicContact CD2-CD 4.16Å; F1263-K1507 HydrophobicContact CD2-CG 3.96Å; F1263-K1507 HydrophobicContact CE2-CB 4.16Å; F1263-K1507 HydrophobicContact CE2-CG 3.83Å |
| 1264 | V | 62.9 | Low | 56.6 | Low | 44 Ų | 44 | 54.4 Ų | 54.4 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 128.7 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 109.6 | N1348 V1374 L1406 | V1264-N1348 WeakPolarHBondContact CG1-OD1 3.24Å; V1264-N1348 WeakPolarHBondContact CG2-OD1 3.43Å; V1264-V1374 PolarHBondContact N-O 2.98Å; V1264-L1406 HydrophobicContact CG2-CD1 3.52Å; V1264-L1406 HydrophobicContact CG2-CG 4.44Å |
| 1265 | G | 58.4 | Low | 58.3 | Low | 34 Ų | 34 | 52.6 Ų | 52.6 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -12 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F1263 H1345 V1346 | F1263-G1265 PolarHBondContact O-N 3.18Å; G1265-H1345 PolarHBondContact O-ND1 2.76Å; G1265-V1346 PolarHBondContact N-O 2.89Å |
| 1266 | D | 61.3 | Low | 60 | Low | 27 Ų | 27 | 52 Ų | 52 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | trans | -66.8 | 157.2 | 174.7 | -86.5 | -32.9 | 0 | 0 | 0 | 112.7 | V1262 F1263 D1344 H1345 V1346 K1507 | V1262-D1266 HydrophobicContact CG1-CB 3.56Å; F1263-D1266 WeakPolarHBondContact CB-OD2 3.32Å; F1263-D1266 PolarHBondContact N-OD2 3.49Å; F1263-D1266 WeakPolarHBondContact O-CB 3.42Å; F1263-D1266 PolarHBondContact O-N 3.32Å; D1266-D1344 CarbonylContact C-O 3.42Å; D1266-H1345 CarbonylContact O-C 3.51Å; D1266-H1345 WeakPolarHBondContact O-CA 3.38Å; D1266-V1346 WeakPolarHBondContact O-CG2 3.5Å; D1266-V1346 PolarHBondContact O-N 2.86Å; D1266-K1507 IonicContact OD1-NZ 3.81Å; D1266-K1507 PolarHBondContact OD1-NZ 2.81Å; D1266-K1507 IonicContact OD2-NZ 3.26Å; D1266-K1507 PolarHBondContact OD2-NZ 3.09Å | ||
| 1267 | P | 60.2 | Low | 61.4 | Low | 77 Ų | 77 | 48.3 Ų | 48.3 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | trans | -75.2 | 143.2 | 158.2 | 32.4 | -34.3 | 0 | 0 | 0 | 111.8 | T1343 D1344 | P1267-T1343 WeakPolarHBondContact CA-O 3.05Å; P1267-D1344 WeakPolarHBondContact CA-O 3.44Å | ||
| 1268 | I | 70.9 | Confident | 62.7 | Low | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.9 | 173 | -170.6 | 176.5 | 0 | 0 | 0 | 111.2 | I1259 V1262 I1270 W1330 T1342 T1343 V1346 L1371 | I1259-I1268 HydrophobicContact CG2-CD1 3.9Å; V1262-I1268 HydrophobicContact CG1-CB 4.42Å; V1262-I1268 HydrophobicContact CG2-CB 4.47Å; V1262-I1268 HydrophobicContact CG2-CD1 3.92Å; V1262-I1268 HydrophobicContact CG2-CG1 4.03Å; I1268-I1270 HydrophobicContact CD1-CD1 4.29Å; I1268-I1270 HydrophobicContact CD1-CG1 3.92Å; I1268-I1270 HydrophobicContact CG1-CG1 4.19Å; I1268-W1330 HydrophobicContact CG2-CH2 3.8Å; I1268-W1330 HydrophobicContact CG2-CZ3 3.88Å; I1268-T1342 WeakPolarHBondContact O-CA 3.26Å; I1268-T1342 WeakPolarHBondContact O-CB 3.28Å; I1268-T1342 PolarHBondContact O-OG1 3Å; I1268-T1343 HydrophobicContact CG2-CG2 3.53Å; I1268-T1343 PolarHBondContact N-O 2.86Å; I1268-T1343 PolarHBondContact O-N 3.21Å; I1268-V1346 HydrophobicContact CB-CG2 3.68Å; I1268-V1346 HydrophobicContact CG2-CG2 3.33Å; I1268-L1371 HydrophobicContact CD1-CD1 3.48Å; I1268-L1371 VanDerWaalsContact CD1-CD1 3.48Å; I1268-L1371 HydrophobicContact CD1-CD2 3.59Å; I1268-L1371 HydrophobicContact CD1-CG 4.14Å |
| 1269 | V | 71.3 | Confident | 63.8 | Low | 67 Ų | 67 | 45.1 Ų | 45.1 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 97.7 | 173.7 | -172.3 | 0 | 0 | 0 | 0 | 110.3 | R1271 V1340 | V1269-R1271 HydrophobicContact CG1-CG 4Å; V1269-V1340 HydrophobicContact CG1-CG1 3.48Å; V1269-V1340 VanDerWaalsContact CG1-CG1 3.48Å |
| 1270 | I | 77.5 | Confident | 64.3 | Low | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 116.3 | 173.7 | -55.6 | 172.8 | 0 | 0 | 0 | 108.1 | I1259 I1268 W1288 W1330 V1340 L1341 Y1354 | I1259-I1270 HydrophobicContact CD1-CD1 4.07Å; I1259-I1270 HydrophobicContact CD1-CG1 4.2Å; I1259-I1270 HydrophobicContact CD1-CG2 3.86Å; I1259-I1270 HydrophobicContact CG2-CG1 4.15Å; I1268-I1270 HydrophobicContact CD1-CD1 4.29Å; I1268-I1270 HydrophobicContact CD1-CG1 3.92Å; I1268-I1270 HydrophobicContact CG1-CG1 4.19Å; I1270-W1288 HydrophobicContact CG2-CH2 4.13Å; I1270-W1288 HydrophobicContact CG2-CZ3 3.87Å; I1270-W1330 HydrophobicContact CD1-CH2 4.16Å; I1270-W1330 HydrophobicContact CD1-CZ3 4.08Å; I1270-V1340 CarbonylContact O-C 3.56Å; I1270-V1340 WeakPolarHBondContact O-CA 3.5Å; I1270-L1341 HydrophobicContact CB-CB 4.3Å; I1270-L1341 HydrophobicContact CD1-CD2 4.21Å; I1270-L1341 PolarHBondContact N-O 3.33Å; I1270-L1341 PolarHBondContact O-N 2.93Å; I1270-Y1354 HydrophobicContact CD1-CD1 3.71Å; I1270-Y1354 HydrophobicContact CD1-CD2 3.76Å; I1270-Y1354 HydrophobicContact CD1-CE1 3.97Å; I1270-Y1354 HydrophobicContact CD1-CE2 4.02Å; I1270-Y1354 HydrophobicContact CD1-CG 3.61Å |
| 1271 | R | 73.5 | Confident | 65.2 | Low | 130 Ų | 130 | 47.9 Ų | 47.9 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.3 | 178.4 | -54.4 | -171.5 | -173.5 | -153.8 | 2.5 | 110.6 | V1269 M1335 D1336 H1338 V1340 | V1269-R1271 HydrophobicContact CG1-CG 4Å; R1271-M1335 VanDerWaalsContact CZ-CE 3.45Å; R1271-D1336 IonicContact NH1-OD2 2.66Å; R1271-D1336 PolarHBondContact NH1-OD2 3.27Å; R1271-H1338 HydrophobicContact CB-CB 4.29Å; R1271-V1340 HydrophobicContact CG-CG2 4.36Å |
| 1272 | C | 73.5 | Confident | 66.1 | Low | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 116.9 | 170.2 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | W1288 H1338 C1339 C1356 | C1272-W1288 HydrophobicContact CB-CH2 4.06Å; C1272-H1338 CarbonylContact O-C 3.59Å; C1272-H1338 VanDerWaalsContact O-CA 3.3Å; C1272-H1338 WeakPolarHBondContact O-CA 3.29Å; C1272-C1339 HydrophobicContact CB-CB 4.37Å; C1272-C1339 PolarHBondContact N-O 2.85Å; C1272-C1339 PolarHBondContact O-N 2.8Å; C1272-C1356 HydrophobicContact CB-CB 3.67Å; C1272-C1356 VanDerWaalsContact SG-SG 3.69Å |
| 1273 | P | 65.7 | Low | 67 | Low | 39 Ų | 39 | 54.8 Ų | 54.8 | 25% | 0.253 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 144.9 | 179 | 24.5 | -33.3 | 0 | 0 | 0 | 111.9 | F1253 H1338 | F1253-P1273 HydrophobicContact CE2-CG 4.44Å; F1253-P1273 HydrophobicContact CZ-CG 4.31Å; P1273-H1338 VanDerWaalsContact CA-CD2 3.45Å; P1273-H1338 WeakPolarHBondContact CA-CD2 3.42Å |
| 1274 | L | 71.8 | Confident | 67.9 | Low | 22 Ų | 22 | 53.5 Ų | 53.5 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 132.6 | 165.1 | -76.8 | 167.4 | 0 | 0 | 0 | 108.8 | I1278 I1284 V1302 L1334 N1337 I1358 | L1274-I1278 HydrophobicContact CD2-CD1 4.07Å; L1274-I1284 HydrophobicContact CD2-CD1 3.81Å; L1274-V1302 HydrophobicContact CD1-CG1 4.05Å; L1274-V1302 HydrophobicContact CD1-CG2 3.97Å; L1274-L1334 HydrophobicContact CD1-CD2 3.94Å; L1274-L1334 HydrophobicContact CD2-CD2 4.4Å; L1274-L1334 HydrophobicContact CG-CD2 4.34Å; L1274-N1337 WeakPolarHBondContact CB-O 3.38Å; L1274-N1337 PolarHBondContact N-O 2.8Å; L1274-I1358 HydrophobicContact CD2-CD1 4.24Å; L1274-I1358 HydrophobicContact CD2-CG2 4.3Å |
| 1275 | P | 65.6 | Low | 68.9 | Low | 15 Ų | 15 | 52.5 Ų | 52.5 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -56.3 | 138.5 | 168.5 | -20.2 | 27.7 | 0 | 0 | 0 | 111.4 | V1277 I1278 Y1365 | P1275-V1277 PolarHBondContact O-N 3.45Å; P1275-I1278 HydrophobicContact CB-CG1 4.39Å; P1275-I1278 HydrophobicContact CG-CD1 4.2Å; P1275-I1278 HydrophobicContact CG-CG1 4.45Å; P1275-I1278 PolarHBondContact O-N 2.91Å; P1275-Y1365 HydrophobicContact CB-CD1 3.93Å; P1275-Y1365 HydrophobicContact CB-CE1 3.82Å; P1275-Y1365 HydrophobicContact CB-CE2 4.46Å; P1275-Y1365 HydrophobicContact CB-CG 4.3Å; P1275-Y1365 HydrophobicContact CG-CD1 3.42Å; P1275-Y1365 VanDerWaalsContact CG-CD1 3.42Å; P1275-Y1365 HydrophobicContact CG-CD2 3.7Å; P1275-Y1365 HydrophobicContact CG-CE1 3.81Å; P1275-Y1365 HydrophobicContact CG-CE2 4.06Å; P1275-Y1365 HydrophobicContact CG-CG 3.36Å |
| 1276 | S | 64.4 | Low | 70.3 | Confident | 98 Ų | 98 | 50.9 Ų | 50.9 | 69% | 0.685 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -20 | 176.4 | 49.9 | 0 | 0 | 0 | 0 | 114.7 | I1278 | S1276-I1278 VanDerWaalsContact C-N 3.31Š|
| 1277 | V | 64.2 | Low | 71.5 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 22% | 0.218 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23 | 175.9 | -170.3 | 0 | 0 | 0 | 0 | 112.3 | P1250 P1275 K1279 T1362 | P1250-V1277 HydrophobicContact CB-CG2 4.13Å; P1275-V1277 PolarHBondContact O-N 3.45Å; V1277-K1279 PolarHBondContact O-N 3.35Å; V1277-T1362 HydrophobicContact CG1-CG2 4.12Å |
| 1278 | I | 67.2 | Low | 72.9 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -85.2 | 109.7 | 177.2 | -54.3 | -173.5 | 0 | 0 | 0 | 108.6 | L1274 P1275 S1276 I1284 V1302 I1358 Y1365 | L1274-I1278 HydrophobicContact CD2-CD1 4.07Å; P1275-I1278 HydrophobicContact CB-CG1 4.39Å; P1275-I1278 HydrophobicContact CG-CD1 4.2Å; P1275-I1278 HydrophobicContact CG-CG1 4.45Å; P1275-I1278 PolarHBondContact O-N 2.91Å; S1276-I1278 VanDerWaalsContact C-N 3.31Å; I1278-I1284 HydrophobicContact CD1-CG2 4.12Å; I1278-I1284 HydrophobicContact CG2-CG2 3.7Å; I1278-V1302 HydrophobicContact CG2-CG2 3.77Å; I1278-I1358 HydrophobicContact CD1-CG2 3.67Å; I1278-Y1365 HydrophobicContact CD1-CD2 4.29Å; I1278-Y1365 HydrophobicContact CD1-CE2 4.17Å; I1278-Y1365 HydrophobicContact CG1-CE2 4.26Å |
| 1279 | K | 61 | Low | 73.7 | Confident | 141 Ų | 141 | 46.5 Ų | 46.5 | 61% | 0.613 | 25% | 0.25 | S | C | * | . | trans | -87.8 | 161.5 | -175.4 | -65.4 | -175.9 | 179.1 | -177.8 | 0 | 111.7 | V1277 G1281 S1282 | V1277-K1279 PolarHBondContact O-N 3.35Å; K1279-G1281 PolarHBondContact O-N 3.39Å; K1279-S1282 PolarHBondContact N-OG 3.48Å; K1279-S1282 VanDerWaalsContact O-CB 3.28Å; K1279-S1282 WeakPolarHBondContact O-CB 3.48Å; K1279-S1282 PolarHBondContact O-N 3.31Å; K1279-S1282 PolarHBondContact O-OG 3.09Å | ||
| 1280 | T | 61.3 | Low | 74.4 | Confident | 74 Ų | 74 | 43.6 Ų | 43.6 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 127.7 | 168.1 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | V1302 A1303 K1304 | T1280-V1302 CarbonylContact C-O 3.51Å; T1280-V1302 WeakPolarHBondContact CA-O 3.38Å; T1280-V1302 HydrophobicContact CG2-CG1 4.39Å; T1280-A1303 WeakPolarHBondContact CG2-O 3.49Å; T1280-K1304 HydrophobicContact CG2-CG 4.14Å |
| 1281 | G | 66.4 | Low | 74.7 | Confident | 55 Ų | 55 | 46.8 Ų | 46.8 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97.2 | -15.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K1279 T1301 V1302 | K1279-G1281 PolarHBondContact O-N 3.39Å; G1281-T1301 VanDerWaalsContact O-CG2 3.27Å; G1281-T1301 WeakPolarHBondContact O-CG2 3.39Å; G1281-V1302 PolarHBondContact N-O 3.4Å |
| 1282 | S | 71.6 | Confident | 74.8 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | trans | -66.2 | 136.1 | 175.6 | -78.2 | 0 | 0 | 0 | 0 | 111.5 | K1279 T1301 V1302 D1361 | K1279-S1282 PolarHBondContact N-OG 3.48Å; K1279-S1282 VanDerWaalsContact O-CB 3.28Å; K1279-S1282 WeakPolarHBondContact O-CB 3.48Å; K1279-S1282 PolarHBondContact O-N 3.31Å; K1279-S1282 PolarHBondContact O-OG 3.09Å; S1282-T1301 WeakPolarHBondContact O-CA 3.47Å; S1282-V1302 PolarHBondContact O-N 2.93Å; S1282-D1361 PolarHBondContact OG-OD1 2.92Å | ||
| 1283 | R | 77.5 | Confident | 75 | Confident | 199 Ų | 199 | 56 Ų | 56 | 75% | 0.751 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.6 | 171.8 | -72.6 | 178.9 | 172.8 | 175.2 | -1.8 | 109.8 | T1301 | R1283-T1301 HydrophobicContact CG-CG2 4.44Å |
| 1284 | I | 80.7 | Confident | 75.9 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.9 | -179.6 | 68.7 | 172.5 | 0 | 0 | 0 | 112.8 | L1274 I1278 V1286 K1299 T1300 V1302 L1334 I1358 K1359 | L1274-I1284 HydrophobicContact CD2-CD1 3.81Å; I1278-I1284 HydrophobicContact CD1-CG2 4.12Å; I1278-I1284 HydrophobicContact CG2-CG2 3.7Å; I1284-V1286 HydrophobicContact CD1-CG2 3.72Å; I1284-V1286 HydrophobicContact CG1-CG2 4.19Å; I1284-K1299 WeakPolarHBondContact O-CA 3.44Å; I1284-T1300 HydrophobicContact CD1-CG2 3.91Å; I1284-T1300 HydrophobicContact CG1-CG2 3.61Å; I1284-T1300 PolarHBondContact N-O 3.24Å; I1284-T1300 PolarHBondContact O-N 3.34Å; I1284-V1302 HydrophobicContact CD1-CG2 4.08Å; I1284-V1302 HydrophobicContact CG2-CG2 4.22Å; I1284-L1334 HydrophobicContact CD1-CD1 4.06Å; I1284-L1334 HydrophobicContact CD1-CD2 4.06Å; I1284-I1358 HydrophobicContact CB-CG2 4.36Å; I1284-I1358 HydrophobicContact CD1-CG2 4.41Å; I1284-I1358 HydrophobicContact CG2-CG2 4.49Å; I1284-K1359 CarbonylContact C-O 3.47Å; I1284-K1359 VanDerWaalsContact CA-O 3.22Å; I1284-K1359 WeakPolarHBondContact CA-O 3.35Å |
| 1285 | S | 83.6 | Confident | 76.3 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 109.4 | 169.4 | -172.9 | 0 | 0 | 0 | 0 | 108.4 | M1298 K1359 | S1285-M1298 CarbonylContact C-O 3.54Å; S1285-M1298 WeakPolarHBondContact CA-O 3.48Å; S1285-K1359 PolarHBondContact N-O 2.84Å; S1285-K1359 PolarHBondContact O-N 3.4Å |
| 1286 | V | 86.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.5 | 179.8 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | I1284 S1297 M1298 C1339 I1358 | I1284-V1286 HydrophobicContact CD1-CG2 3.72Å; I1284-V1286 HydrophobicContact CG1-CG2 4.19Å; V1286-S1297 CarbonylContact O-C 3.55Å; V1286-S1297 VanDerWaalsContact O-CA 3.31Å; V1286-S1297 WeakPolarHBondContact O-CA 3.24Å; V1286-M1298 HydrophobicContact CB-CB 4.4Å; V1286-M1298 HydrophobicContact CB-CE 4.19Å; V1286-M1298 HydrophobicContact CG2-CE 3.92Å; V1286-M1298 PolarHBondContact N-O 3.29Å; V1286-M1298 PolarHBondContact O-N 3.48Å; V1286-C1339 HydrophobicContact CG1-CB 4.02Å; V1286-C1339 HydrophobicContact CG2-CB 4.47Å; V1286-C1339 VanDerWaalsContact CG2-SG 3.55Å; V1286-I1358 HydrophobicContact CG1-CG1 4.46Å |
| 1287 | D | 87.9 | Confident | 78.1 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.5 | 172.7 | -75.1 | -6.1 | 0 | 0 | 0 | 108.9 | L1289 K1294 Y1296 S1297 R1357 K1359 | D1287-L1289 HydrophobicContact CB-CD1 4.41Å; D1287-K1294 IonicContact OD1-NZ 2.77Å; D1287-K1294 PolarHBondContact OD1-NZ 3.47Å; D1287-K1294 VanDerWaalsContact OD2-CE 3.28Å; D1287-K1294 WeakPolarHBondContact OD2-CE 3.39Å; D1287-K1294 IonicContact OD2-NZ 3.84Å; D1287-K1294 PolarHBondContact OD2-NZ 2.64Å; D1287-Y1296 WeakPolarHBondContact CA-O 3.48Å; D1287-S1297 PolarHBondContact OD1-OG 3.47Å; D1287-R1357 HydrophobicContact CB-CB 4.06Å; D1287-R1357 HydrophobicContact CB-CG 4.4Å; D1287-R1357 PolarHBondContact N-O 2.82Å; D1287-R1357 PolarHBondContact O-N 3.17Å; D1287-K1359 IonicContact OD1-NZ 2.66Å; D1287-K1359 VanDerWaalsContact OD2-CE 3.31Å; D1287-K1359 WeakPolarHBondContact OD2-CE 3.43Å; D1287-K1359 IonicContact OD2-NZ 3.61Å; D1287-K1359 PolarHBondContact OD2-NZ 3.49Å |
| 1288 | W | 89.6 | Confident | 78.8 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.9 | 169.7 | -71.1 | 101.2 | 0 | 0 | 0 | 110.3 | I1270 C1272 K1294 I1295 Y1296 T1332 C1339 L1341 C1356 | I1270-W1288 HydrophobicContact CG2-CH2 4.13Å; I1270-W1288 HydrophobicContact CG2-CZ3 3.87Å; C1272-W1288 HydrophobicContact CB-CH2 4.06Å; W1288-K1294 WeakPolarHBondContact O-CA 3.39Å; W1288-I1295 HydrophobicContact CB-CD1 4.32Å; W1288-I1295 HydrophobicContact CB-CG1 3.85Å; W1288-I1295 WeakPolarHBondContact O-CG1 3.45Å; W1288-I1295 PolarHBondContact O-N 2.66Å; W1288-Y1296 PolarHBondContact N-O 3.38Å; W1288-Y1296 PolarHBondContact O-N 2.93Å; W1288-T1332 PolarHBondContact NE1-OG1 2.71Å; W1288-C1339 HydrophobicContact CZ2-CB 4.15Å; W1288-L1341 HydrophobicContact CB-CD2 4.45Å; W1288-L1341 HydrophobicContact CD2-CB 3.85Å; W1288-L1341 HydrophobicContact CD2-CD2 3.79Å; W1288-L1341 HydrophobicContact CD2-CG 4.35Å; W1288-L1341 HydrophobicContact CE3-CB 3.99Å; W1288-L1341 HydrophobicContact CE3-CD2 3.59Å; W1288-L1341 HydrophobicContact CE3-CG 4.42Å; W1288-L1341 HydrophobicContact CG-CD2 4.17Å; W1288-L1341 HydrophobicContact CH2-CB 3.67Å; W1288-L1341 HydrophobicContact CZ2-CB 3.53Å; W1288-L1341 HydrophobicContact CZ3-CB 3.89Å; W1288-L1341 HydrophobicContact CZ3-CD2 4.07Å; W1288-C1356 HydrophobicContact CD2-CB 4.38Å; W1288-C1356 HydrophobicContact CE3-CB 3.86Å; W1288-C1356 HydrophobicContact CH2-CB 3.94Å; W1288-C1356 HydrophobicContact CZ2-CB 4.42Å; W1288-C1356 HydrophobicContact CZ3-CB 3.64Å |
| 1289 | L | 87.1 | Confident | 79.5 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149 | 176.1 | -55.5 | 88.4 | 0 | 0 | 0 | 110.2 | D1287 Q1293 K1294 Y1354 K1355 R1357 | D1287-L1289 HydrophobicContact CB-CD1 4.41Å; L1289-Q1293 CarbonylContact C-O 3.51Å; L1289-Q1293 WeakPolarHBondContact CA-O 3.33Å; L1289-Q1293 WeakPolarHBondContact CB-O 3.39Å; L1289-K1294 HydrophobicContact CG-CB 4.5Å; L1289-Y1354 CarbonylContact O-C 3.5Å; L1289-Y1354 VanDerWaalsContact O-CA 3.31Å; L1289-Y1354 WeakPolarHBondContact O-CA 3.32Å; L1289-K1355 HydrophobicContact CB-CB 4.28Å; L1289-K1355 HydrophobicContact CD1-CG 4.26Å; L1289-K1355 WeakPolarHBondContact CD1-O 3.49Å; L1289-K1355 PolarHBondContact N-O 2.91Å; L1289-K1355 PolarHBondContact O-N 2.88Å; L1289-R1357 HydrophobicContact CD1-CB 4.19Å |
| 1290 | H | 86.5 | Confident | 79.9 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.028 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132.9 | 164.7 | 172.1 | -79.3 | 0 | 0 | 0 | 108.2 | K1292 Q1293 I1295 R1325 D1350 E1351 G1352 I1353 Y1354 | H1290-K1292 PolarHBondContact O-N 3.25Å; H1290-K1292 VanDerWaalsContact O-N 3.08Å; H1290-Q1293 PolarHBondContact N-O 2.92Å; H1290-Q1293 WeakPolarHBondContact O-CA 3.23Å; H1290-Q1293 WeakPolarHBondContact O-CB 3.44Å; H1290-Q1293 PolarHBondContact O-N 3.45Å; H1290-Q1293 VanDerWaalsContact O-O 3.14Å; H1290-I1295 HydrophobicContact CB-CD1 4.19Å; H1290-I1295 HydrophobicContact CB-CG2 3.9Å; H1290-R1325 PolarHBondContact CD2-NH1 2.95Å; H1290-R1325 PolarHBondContact CE1-NH1 3.34Å; H1290-R1325 VanDerWaalsContact ND1-CZ 3.34Å; H1290-R1325 PolarHBondContact ND1-NH1 3.05Å; H1290-R1325 PolarHBondContact ND1-NH2 2.85Å; H1290-D1350 PolarHBondContact NE2-O 2.92Å; H1290-E1351 PolarHBondContact CE1-O 2.9Å; H1290-E1351 PolarHBondContact NE2-O 2.81Å; H1290-G1352 WeakPolarHBondContact NE2-CA 3.45Å; H1290-I1353 CarbonylContact C-O 3.6Å; H1290-I1353 WeakPolarHBondContact CA-O 2.89Å; H1290-Y1354 HydrophobicContact CB-CD1 4.24Å; H1290-Y1354 HydrophobicContact CB-CE1 4.16Å; H1290-Y1354 AromaticContact CD2-CD2 3.94Å; H1290-Y1354 AromaticContact CD2-CE1 3.88Å; H1290-Y1354 AromaticContact CD2-CE2 3.49Å; H1290-Y1354 VanDerWaalsContact CD2-CE2 3.49Å; H1290-Y1354 WeakPolarHBondContact CD2-CE2 3.44Å; H1290-Y1354 AromaticContact CD2-CZ 3.44Å; H1290-Y1354 VanDerWaalsContact CD2-CZ 3.44Å |
| 1291 | D | 82.4 | Confident | 80.5 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 43% | 0.433 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43.7 | 46.2 | -177.5 | -68.8 | -20.1 | 0 | 0 | 0 | 113.5 | Q1293 I1353 | D1291-Q1293 PolarHBondContact O-N 3.07Å; D1291-Q1293 VanDerWaalsContact O-N 3.12Å; D1291-I1353 PolarHBondContact N-O 3.39Å; D1291-I1353 PolarHBondContact OD1-N 3.27Å |
| 1292 | K | 77.1 | Confident | 80.6 | Confident | 201 Ų | 201 | 58.1 Ų | 58.1 | 87% | 0.874 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | -9.3 | -178.5 | -49.2 | 162 | -173.8 | 167.2 | 0 | 115.2 | H1290 | H1290-K1292 PolarHBondContact O-N 3.25Å; H1290-K1292 VanDerWaalsContact O-N 3.08Å |
| 1293 | Q | 77 | Confident | 79.9 | Confident | 130 Ų | 130 | 60.7 Ų | 60.7 | 61% | 0.607 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 134.3 | 170.3 | -59.9 | -175.3 | -2.7 | 0 | 0 | 110.2 | L1289 H1290 D1291 I1295 | L1289-Q1293 CarbonylContact C-O 3.51Å; L1289-Q1293 WeakPolarHBondContact CA-O 3.33Å; L1289-Q1293 WeakPolarHBondContact CB-O 3.39Å; H1290-Q1293 PolarHBondContact N-O 2.92Å; H1290-Q1293 WeakPolarHBondContact O-CA 3.23Å; H1290-Q1293 WeakPolarHBondContact O-CB 3.44Å; H1290-Q1293 PolarHBondContact O-N 3.45Å; H1290-Q1293 VanDerWaalsContact O-O 3.14Å; D1291-Q1293 PolarHBondContact O-N 3.07Å; D1291-Q1293 VanDerWaalsContact O-N 3.12Å; Q1293-I1295 PolarHBondContact O-N 3.35Å |
| 1294 | K | 84.4 | Confident | 78.4 | Confident | 107 Ų | 107 | 58 Ų | 58 | 47% | 0.465 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 123.4 | 168.3 | 172.6 | -179.7 | -75.5 | -164.5 | 0 | 109.2 | D1287 W1288 L1289 S1297 | D1287-K1294 IonicContact OD1-NZ 2.77Å; D1287-K1294 PolarHBondContact OD1-NZ 3.47Å; D1287-K1294 VanDerWaalsContact OD2-CE 3.28Å; D1287-K1294 WeakPolarHBondContact OD2-CE 3.39Å; D1287-K1294 IonicContact OD2-NZ 3.84Å; D1287-K1294 PolarHBondContact OD2-NZ 2.64Å; W1288-K1294 WeakPolarHBondContact O-CA 3.39Å; L1289-K1294 HydrophobicContact CG-CB 4.5Å; K1294-S1297 WeakPolarHBondContact CD-OG 3.25Å; K1294-S1297 WeakPolarHBondContact CE-OG 3.37Å; K1294-S1297 PolarHBondContact NZ-OG 3.09Å |
| 1295 | I | 80.8 | Confident | 76.4 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 14% | 0.138 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -28.2 | 176.2 | 62.5 | 173.9 | 0 | 0 | 0 | 112.7 | W1288 H1290 Q1293 F1323 L1341 Y1354 | W1288-I1295 HydrophobicContact CB-CD1 4.32Å; W1288-I1295 HydrophobicContact CB-CG1 3.85Å; W1288-I1295 WeakPolarHBondContact O-CG1 3.45Å; W1288-I1295 PolarHBondContact O-N 2.66Å; H1290-I1295 HydrophobicContact CB-CD1 4.19Å; H1290-I1295 HydrophobicContact CB-CG2 3.9Å; Q1293-I1295 PolarHBondContact O-N 3.35Å; I1295-F1323 HydrophobicContact CB-CE2 3.96Å; I1295-F1323 HydrophobicContact CB-CZ 4.49Å; I1295-F1323 HydrophobicContact CD1-CE2 4.06Å; I1295-F1323 HydrophobicContact CD1-CZ 3.96Å; I1295-F1323 HydrophobicContact CG1-CE2 4.05Å; I1295-F1323 HydrophobicContact CG1-CZ 4.08Å; I1295-L1341 HydrophobicContact CD1-CD2 4.07Å; I1295-Y1354 HydrophobicContact CD1-CD1 4.17Å; I1295-Y1354 HydrophobicContact CD1-CE1 3.93Å |
| 1296 | Y | 84 | Confident | 73.8 | Confident | 47 Ų | 47 | 69 Ų | 69 | 18% | 0.184 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 162.4 | 176.6 | -159.2 | -106.2 | 0 | 0 | 0 | 114.3 | D1287 W1288 M1298 G1320 F1323 T1332 | D1287-Y1296 WeakPolarHBondContact CA-O 3.48Å; W1288-Y1296 PolarHBondContact N-O 3.38Å; W1288-Y1296 PolarHBondContact O-N 2.93Å; Y1296-M1298 HydrophobicContact CD1-CB 4.34Å; Y1296-M1298 HydrophobicContact CE1-CB 4.02Å; Y1296-G1320 PolarHBondContact OH-O 3.23Å; Y1296-F1323 HydrophobicContact CD1-CD1 4.27Å; Y1296-F1323 HydrophobicContact CD1-CE1 4.37Å; Y1296-F1323 HydrophobicContact CD2-CB 3.59Å; Y1296-F1323 AromaticContact CD2-CD1 3.29Å; Y1296-F1323 HydrophobicContact CD2-CD1 3.29Å; Y1296-F1323 HydrophobicContact CD2-CD2 4.25Å; Y1296-F1323 AromaticContact CD2-CE1 3.96Å; Y1296-F1323 HydrophobicContact CD2-CE1 3.96Å; Y1296-F1323 AromaticContact CD2-CG 3.45Å; Y1296-F1323 HydrophobicContact CD2-CG 3.45Å; Y1296-F1323 VanDerWaalsContact CD2-CG 3.45Å; Y1296-F1323 HydrophobicContact CE2-CB 3.78Å; Y1296-F1323 AromaticContact CE2-CD1 3.88Å; Y1296-F1323 HydrophobicContact CE2-CD1 3.88Å; Y1296-F1323 HydrophobicContact CE2-CG 4.09Å; Y1296-F1323 AromaticContact CG-CD1 3.51Å; Y1296-F1323 HydrophobicContact CG-CD1 3.51Å; Y1296-F1323 AromaticContact CG-CE1 3.69Å; Y1296-F1323 HydrophobicContact CG-CE1 3.69Å; Y1296-F1323 HydrophobicContact CG-CG 4.06Å; Y1296-F1323 HydrophobicContact CG-CZ 4.37Å; Y1296-T1332 HydrophobicContact CD1-CG2 3.4Å; Y1296-T1332 VanDerWaalsContact CD1-CG2 3.4Å; Y1296-T1332 HydrophobicContact CE1-CG2 3.44Å; Y1296-T1332 VanDerWaalsContact CE1-CG2 3.44Å; Y1296-T1332 HydrophobicContact CG-CG2 4.44Å |
| 1297 | S | 82.5 | Confident | 70.8 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 35% | 0.35 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 109.4 | 169.4 | -83 | 0 | 0 | 0 | 0 | 111.6 | V1286 D1287 K1294 | V1286-S1297 CarbonylContact O-C 3.55Å; V1286-S1297 VanDerWaalsContact O-CA 3.31Å; V1286-S1297 WeakPolarHBondContact O-CA 3.24Å; D1287-S1297 PolarHBondContact OD1-OG 3.47Å; K1294-S1297 WeakPolarHBondContact CD-OG 3.25Å; K1294-S1297 WeakPolarHBondContact CE-OG 3.37Å; K1294-S1297 PolarHBondContact NZ-OG 3.09Å |
| 1298 | M | 79.3 | Confident | 67.8 | Low | 5 Ų | 5 | 79.5 Ų | 79.5 | 3% | 0.025 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.4 | 170.3 | 178.6 | 176.8 | 55.2 | 0 | 0 | 110 | S1285 V1286 Y1296 T1300 T1332 L1334 | S1285-M1298 CarbonylContact C-O 3.54Å; S1285-M1298 WeakPolarHBondContact CA-O 3.48Å; V1286-M1298 HydrophobicContact CB-CB 4.4Å; V1286-M1298 HydrophobicContact CB-CE 4.19Å; V1286-M1298 HydrophobicContact CG2-CE 3.92Å; V1286-M1298 PolarHBondContact N-O 3.29Å; V1286-M1298 PolarHBondContact O-N 3.48Å; Y1296-M1298 HydrophobicContact CD1-CB 4.34Å; Y1296-M1298 HydrophobicContact CE1-CB 4.02Å; M1298-T1300 HydrophobicContact CE-CG2 4Å; M1298-T1300 HydrophobicContact CG-CG2 4.22Å; M1298-T1300 HydrophobicContact SD-CG2 4.11Å; M1298-T1332 HydrophobicContact CB-CG2 3.99Å; M1298-T1332 HydrophobicContact SD-CG2 4.23Å; M1298-L1334 HydrophobicContact CE-CG 4.44Å |
| 1299 | K | 81.4 | Confident | 64.9 | Low | 178 Ų | 178 | 85.3 Ų | 85.3 | 77% | 0.774 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.3 | 164.4 | -71.4 | -179.7 | -178.7 | 175.4 | 0 | 108.7 | I1284 | I1284-K1299 WeakPolarHBondContact O-CA 3.44Å |
| 1300 | T | 71.1 | Confident | 61.9 | Low | 47 Ų | 47 | 90.6 Ų | 90.6 | 29% | 0.288 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 178.2 | -174.3 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | I1284 M1298 L1334 | I1284-T1300 HydrophobicContact CD1-CG2 3.91Å; I1284-T1300 HydrophobicContact CG1-CG2 3.61Å; I1284-T1300 PolarHBondContact N-O 3.24Å; I1284-T1300 PolarHBondContact O-N 3.34Å; M1298-T1300 HydrophobicContact CE-CG2 4Å; M1298-T1300 HydrophobicContact CG-CG2 4.22Å; M1298-T1300 HydrophobicContact SD-CG2 4.11Å; T1300-L1334 HydrophobicContact CG2-CD1 3.69Å; T1300-L1334 HydrophobicContact CG2-CG 4.04Å |
| 1301 | T | 74 | Confident | 59.2 | Low | 69 Ų | 69 | 94.2 Ų | 94.2 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.2 | 175.9 | -50.3 | 0 | 0 | 0 | 0 | 108.4 | G1281 S1282 R1283 A1303 | G1281-T1301 VanDerWaalsContact O-CG2 3.27Å; G1281-T1301 WeakPolarHBondContact O-CG2 3.39Å; S1282-T1301 WeakPolarHBondContact O-CA 3.47Å; R1283-T1301 HydrophobicContact CG-CG2 4.44Å; T1301-A1303 PolarHBondContact O-N 3.35Å |
| 1302 | V | 67 | Low | 56.4 | Low | 8 Ų | 8 | 95 Ų | 95 | 5% | 0.048 | 50% | 0.497 | C | S | . | . | trans | -71.1 | 114.9 | -175.3 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | L1274 I1278 T1280 G1281 S1282 I1284 L1334 | L1274-V1302 HydrophobicContact CD1-CG1 4.05Å; L1274-V1302 HydrophobicContact CD1-CG2 3.97Å; I1278-V1302 HydrophobicContact CG2-CG2 3.77Å; T1280-V1302 CarbonylContact C-O 3.51Å; T1280-V1302 WeakPolarHBondContact CA-O 3.38Å; T1280-V1302 HydrophobicContact CG2-CG1 4.39Å; G1281-V1302 PolarHBondContact N-O 3.4Å; S1282-V1302 PolarHBondContact O-N 2.93Å; I1284-V1302 HydrophobicContact CD1-CG2 4.08Å; I1284-V1302 HydrophobicContact CG2-CG2 4.22Å; V1302-L1334 HydrophobicContact CG2-CD1 4.08Å | ||
| 1303 | A | 57.2 | Low | 54 | Low | 69 Ų | 69 | 88 Ų | 88 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | trans | -74.6 | 157.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1280 T1301 | T1280-A1303 WeakPolarHBondContact CG2-O 3.49Å; T1301-A1303 PolarHBondContact O-N 3.35Å | ||
| 1304 | K | 45.2 | Very low | 51.6 | Low | 141 Ų | 141 | 87 Ų | 87 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -80.5 | 136.6 | 163.8 | -70.4 | 179.3 | 179.2 | 173.8 | 0 | 108.7 | T1280 | T1280-K1304 HydrophobicContact CG2-CG 4.14Š|
| 1305 | Q | 39.3 | Very low | 48.9 | Very low | 184 Ų | 184 | 83.8 Ų | 83.8 | 86% | 0.86 | 45% | 0.452 | S | S | * | . | trans | 70.3 | 123.2 | 173.2 | -58.6 | 168.8 | -50.3 | 0 | 0 | 116.9 | ||||
| 1306 | C | 29.7 | Very low | 46.5 | Very low | 78 Ų | 78 | 84.3 Ų | 84.3 | 53% | 0.527 | 46% | 0.46 | S | S | . | . | trans | -156.7 | 111.2 | 160.9 | -83.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1307 | V | 24.5 | Very low | 43.8 | Very low | 119 Ų | 119 | 85.4 Ų | 85.4 | 72% | 0.721 | 48% | 0.475 | S | S | * | . | trans | -151.2 | 134.9 | 179.5 | 175.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1308 | N | 24.9 | Very low | 41.9 | Very low | 106 Ų | 106 | 87.4 Ų | 87.4 | 57% | 0.567 | 48% | 0.477 | S | S | * | . | trans | 55 | 98.5 | 165.7 | -64.1 | -1.6 | 0 | 0 | 0 | 119.5 | ||||
| 1309 | K | 28.3 | Very low | 40 | Very low | 124 Ų | 124 | 96.2 Ų | 96.2 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | -167.8 | 133.1 | 129.8 | -105.5 | 168.7 | -166.9 | 179.3 | 0 | 110.4 | D262 I1311 | D262-K1309 IonicContact OD2-NZ 2.71Å; D262-K1309 PolarHBondContact OD2-NZ 3.27Å; K1309-I1311 HydrophobicContact CB-CD1 4.18Å; K1309-I1311 HydrophobicContact CB-CG1 4.17Å; K1309-I1311 WeakPolarHBondContact O-CD1 3.43Å; K1309-I1311 PolarHBondContact O-N 2.93Å | |||
| 1310 | V | 24.2 | Very low | 38.4 | Very low | 125 Ų | 125 | 90.7 Ų | 90.7 | 76% | 0.758 | 51% | 0.512 | S | S | * | . | trans | -79.3 | 87.9 | 175.4 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | E1146 S1312 | E1146-V1310 WeakPolarHBondContact OE1-CG2 3.2Å; V1310-S1312 PolarHBondContact O-N 3.02Å | ||
| 1311 | I | 28.5 | Very low | 38 | Very low | 82 Ų | 82 | 90 Ų | 90 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | trans | -81.9 | 90.9 | -178.2 | -54.2 | 123.1 | 0 | 0 | 0 | 110.5 | K265 K1309 | K265-I1311 HydrophobicContact CD-CB 4.44Å; K265-I1311 HydrophobicContact CD-CD1 4.21Å; K265-I1311 HydrophobicContact CD-CG1 4.36Å; K265-I1311 HydrophobicContact CD-CG2 3.81Å; K265-I1311 VanDerWaalsContact CE-CG2 3.42Å; K265-I1311 HydrophobicContact CG-CG2 4.38Å; K1309-I1311 HydrophobicContact CB-CD1 4.18Å; K1309-I1311 HydrophobicContact CB-CG1 4.17Å; K1309-I1311 WeakPolarHBondContact O-CD1 3.43Å; K1309-I1311 PolarHBondContact O-N 2.93Å | ||
| 1312 | S | 24.5 | Very low | 37.7 | Very low | 98 Ų | 98 | 91 Ų | 91 | 69% | 0.685 | 51% | 0.507 | S | S | * | . | trans | -52.5 | 159.4 | 145.7 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | V1310 | V1310-S1312 PolarHBondContact O-N 3.02Š| ||
| 1313 | S | 26.7 | Very low | 38.2 | Very low | 55 Ų | 55 | 91.7 Ų | 91.7 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 65.6 | 130.5 | -177.3 | 40.2 | 0 | 0 | 0 | 0 | 118.3 | D269 | D269-S1313 WeakPolarHBondContact OD2-CB 3.45Å; D269-S1313 PolarHBondContact OD2-OG 3.21Å |
| 1314 | R | 27.1 | Very low | 38.8 | Very low | 108 Ų | 108 | 95 Ų | 95 | 41% | 0.408 | 51% | 0.513 | S | S | . | . | 38.7 | 123.2 | 128.8 | -61.3 | 172.5 | 168.6 | 123.6 | 0.7 | 117.8 | D269 | D269-R1314 WeakPolarHBondContact CA-O 3.48Å; D269-R1314 HydrophobicContact CB-CB 4.26Å; D269-R1314 PolarHBondContact N-O 3.25Å; D269-R1314 VanDerWaalsContact O-CB 3.24Å; D269-R1314 WeakPolarHBondContact O-CB 3.49Å; D269-R1314 VanDerWaalsContact O-CD 3.26Å; D269-R1314 WeakPolarHBondContact O-CD 3.4Å | |||
| 1315 | L | 27.5 | Very low | 39.8 | Very low | 39 Ų | 39 | 90.8 Ų | 90.8 | 20% | 0.204 | 49% | 0.493 | C | S | . | . | trans | 56.6 | 149.4 | 164.3 | -56.3 | 76.1 | 0 | 0 | 0 | 121.6 | K265 N268 E271 N272 | K265-L1315 WeakPolarHBondContact CE-O 3.43Å; N268-L1315 HydrophobicContact CB-CB 3.54Å; N268-L1315 HydrophobicContact CB-CD2 4.2Å; N268-L1315 HydrophobicContact CB-CG 4.44Å; N268-L1315 WeakPolarHBondContact O-CD1 3.25Å; N268-L1315 VanDerWaalsContact O-CD2 3.25Å; N268-L1315 WeakPolarHBondContact O-CD2 3.24Å; N268-L1315 WeakPolarHBondContact O-CG 3.33Å; N268-L1315 WeakPolarHBondContact OD1-CD2 3.31Å; E271-L1315 HydrophobicContact CB-CD2 4.2Å; N272-L1315 HydrophobicContact CB-CD1 3.16Å; N272-L1315 HydrophobicContact CB-CD2 4.47Å; N272-L1315 HydrophobicContact CB-CG 4.13Å; N272-L1315 VanDerWaalsContact ND2-CD1 3.29Å; N272-L1315 WeakPolarHBondContact ND2-CD1 3.38Å; N272-L1315 WeakPolarHBondContact ND2-CG 3.26Å; N272-L1315 WeakPolarHBondContact OD1-CD2 3.36Å | ||
| 1316 | A | 29 | Very low | 41.1 | Very low | 38 Ų | 38 | 84.6 Ų | 84.6 | 31% | 0.314 | 48% | 0.479 | S | S | . | . | -147.9 | 156.6 | 121.8 | 0 | 0 | 0 | 0 | 0 | 108 | F1318 | A1316-F1318 HydrophobicContact CB-CD2 4.04Å; A1316-F1318 HydrophobicContact CB-CE2 3.92Å; A1316-F1318 PolarHBondContact O-N 3.1Å | |||
| 1317 | S | 29.1 | Very low | 42.8 | Very low | 70 Ų | 70 | 88.1 Ų | 88.1 | 49% | 0.49 | 49% | 0.487 | S | S | . | . | trans | -69.8 | 82.9 | -174.3 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | N268 | N268-S1317 PolarHBondContact OD1-N 3.27Å; N268-S1317 VanDerWaalsContact OD1-N 3.17Å | ||
| 1318 | F | 41.3 | Very low | 45 | Very low | 92 Ų | 92 | 82.5 Ų | 82.5 | 40% | 0.404 | 45% | 0.453 | S | S | . | . | trans | -105.3 | 47.7 | -179.4 | -81 | -71.5 | 0 | 0 | 0 | 113.3 | A1316 G1320 N1321 Q1322 | A1316-F1318 HydrophobicContact CB-CD2 4.04Å; A1316-F1318 HydrophobicContact CB-CE2 3.92Å; A1316-F1318 PolarHBondContact O-N 3.1Å; F1318-G1320 PolarHBondContact O-N 2.9Å; F1318-G1320 VanDerWaalsContact O-N 3.09Å; F1318-N1321 HydrophobicContact CB-CB 4.12Å; F1318-N1321 HydrophobicContact CD1-CB 4.1Å; F1318-N1321 HydrophobicContact CG-CB 4.5Å; F1318-N1321 PolarHBondContact O-N 2.74Å; F1318-Q1322 PolarHBondContact O-N 2.78Å; F1318-Q1322 VanDerWaalsContact O-N 3.17Å | ||
| 1319 | E | 38.7 | Very low | 47.4 | Very low | 190 Ų | 190 | 80.9 Ų | 80.9 | 89% | 0.888 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.1 | -177.2 | -64.1 | -167 | 133 | 0 | 0 | 114.2 | ||
| 1320 | G | 49.7 | Very low | 50 | Low | 63 Ų | 63 | 75 Ų | 75 | 65% | 0.649 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 5.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y1296 F1318 | Y1296-G1320 PolarHBondContact OH-O 3.23Å; F1318-G1320 PolarHBondContact O-N 2.9Å; F1318-G1320 VanDerWaalsContact O-N 3.09Å |
| 1321 | N | 62.8 | Low | 52.6 | Low | 32 Ų | 32 | 71.3 Ų | 71.3 | 17% | 0.171 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | -1.2 | -172.6 | -95.9 | -2.8 | 0 | 0 | 0 | 114.2 | F1318 R1331 T1332 | F1318-N1321 HydrophobicContact CB-CB 4.12Å; F1318-N1321 HydrophobicContact CD1-CB 4.1Å; F1318-N1321 HydrophobicContact CG-CB 4.5Å; F1318-N1321 PolarHBondContact O-N 2.74Å; N1321-R1331 WeakPolarHBondContact O-CA 3.43Å; N1321-T1332 VanDerWaalsContact CB-O 3.28Å; N1321-T1332 WeakPolarHBondContact CB-O 3.45Å; N1321-T1332 PolarHBondContact ND2-O 3.17Å; N1321-T1332 PolarHBondContact O-N 3.41Å |
| 1322 | Q | 65.9 | Low | 55.2 | Low | 89 Ų | 89 | 67.4 Ų | 67.4 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.7 | 173.8 | -177.1 | 169.9 | -74.4 | 0 | 0 | 110.3 | F1318 I1329 W1330 R1331 | F1318-Q1322 PolarHBondContact O-N 2.78Å; F1318-Q1322 VanDerWaalsContact O-N 3.17Å; Q1322-I1329 HydrophobicContact CG-CG2 3.53Å; Q1322-W1330 CarbonylContact C-O 3.54Å; Q1322-W1330 VanDerWaalsContact CA-O 3.31Å; Q1322-W1330 WeakPolarHBondContact CA-O 3.4Å; Q1322-W1330 WeakPolarHBondContact CG-O 3.15Å; Q1322-R1331 HydrophobicContact CB-CG 4.13Å; Q1322-R1331 HydrophobicContact CG-CG 3.99Å |
| 1323 | F | 77.3 | Confident | 57.6 | Low | 23 Ų | 23 | 65.1 Ų | 65.1 | 10% | 0.101 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 142.8 | 175.8 | 67.9 | -83.5 | 0 | 0 | 0 | 111 | I1295 Y1296 W1330 L1341 | I1295-F1323 HydrophobicContact CB-CE2 3.96Å; I1295-F1323 HydrophobicContact CB-CZ 4.49Å; I1295-F1323 HydrophobicContact CD1-CE2 4.06Å; I1295-F1323 HydrophobicContact CD1-CZ 3.96Å; I1295-F1323 HydrophobicContact CG1-CE2 4.05Å; I1295-F1323 HydrophobicContact CG1-CZ 4.08Å; Y1296-F1323 HydrophobicContact CD1-CD1 4.27Å; Y1296-F1323 HydrophobicContact CD1-CE1 4.37Å; Y1296-F1323 HydrophobicContact CD2-CB 3.59Å; Y1296-F1323 AromaticContact CD2-CD1 3.29Å; Y1296-F1323 HydrophobicContact CD2-CD1 3.29Å; Y1296-F1323 HydrophobicContact CD2-CD2 4.25Å; Y1296-F1323 AromaticContact CD2-CE1 3.96Å; Y1296-F1323 HydrophobicContact CD2-CE1 3.96Å; Y1296-F1323 AromaticContact CD2-CG 3.45Å; Y1296-F1323 HydrophobicContact CD2-CG 3.45Å; Y1296-F1323 VanDerWaalsContact CD2-CG 3.45Å; Y1296-F1323 HydrophobicContact CE2-CB 3.78Å; Y1296-F1323 AromaticContact CE2-CD1 3.88Å; Y1296-F1323 HydrophobicContact CE2-CD1 3.88Å; Y1296-F1323 HydrophobicContact CE2-CG 4.09Å; Y1296-F1323 AromaticContact CG-CD1 3.51Å; Y1296-F1323 HydrophobicContact CG-CD1 3.51Å; Y1296-F1323 AromaticContact CG-CE1 3.69Å; Y1296-F1323 HydrophobicContact CG-CE1 3.69Å; Y1296-F1323 HydrophobicContact CG-CG 4.06Å; Y1296-F1323 HydrophobicContact CG-CZ 4.37Å; F1323-W1330 HydrophobicContact CD1-CB 3.93Å; F1323-W1330 HydrophobicContact CD2-CB 3.99Å; F1323-W1330 HydrophobicContact CE1-CB 3.54Å; F1323-W1330 HydrophobicContact CE2-CB 3.61Å; F1323-W1330 AromaticContact CE2-CG 3.96Å; F1323-W1330 HydrophobicContact CE2-CG 3.96Å; F1323-W1330 HydrophobicContact CG-CB 4.15Å; F1323-W1330 HydrophobicContact CZ-CB 3.38Å; F1323-W1330 AromaticContact CZ-CG 3.94Å; F1323-W1330 HydrophobicContact CZ-CG 3.94Å; F1323-W1330 PolarHBondContact N-O 2.78Å; F1323-W1330 WeakPolarHBondContact O-CA 3.42Å; F1323-W1330 WeakPolarHBondContact O-CB 3.39Å; F1323-W1330 PolarHBondContact O-N 3.4Å; F1323-W1330 VanDerWaalsContact O-O 3.09Å; F1323-L1341 HydrophobicContact CE1-CD1 3.64Å; F1323-L1341 HydrophobicContact CZ-CD1 3.58Å |
| 1324 | Q | 70.4 | Confident | 59.8 | Low | 139 Ų | 139 | 64.6 Ų | 64.6 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 141.6 | 177.3 | -174.3 | 175.5 | -14.3 | 0 | 0 | 110.7 | G1326 T1328 | Q1324-G1326 WeakPolarHBondContact CG-O 3.4Å; Q1324-G1326 PolarHBondContact NE2-O 2.9Å; Q1324-T1328 CarbonylContact C-O 3.48Å; Q1324-T1328 WeakPolarHBondContact CA-O 3.31Å |
| 1325 | R | 66.6 | Low | 61.2 | Low | 53 Ų | 53 | 61.7 Ų | 61.7 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 113.6 | 171.7 | -172.7 | -179.3 | -173.5 | -127.5 | 6.4 | 109.5 | H1290 E1327 T1328 | H1290-R1325 PolarHBondContact CD2-NH1 2.95Å; H1290-R1325 PolarHBondContact CE1-NH1 3.34Å; H1290-R1325 VanDerWaalsContact ND1-CZ 3.34Å; H1290-R1325 PolarHBondContact ND1-NH1 3.05Å; H1290-R1325 PolarHBondContact ND1-NH2 2.85Å; R1325-E1327 PolarHBondContact O-N 3.06Å; R1325-T1328 PolarHBondContact N-O 3.46Å; R1325-T1328 WeakPolarHBondContact O-CB 3.44Å; R1325-T1328 PolarHBondContact O-N 3.11Å |
| 1326 | G | 67.4 | Low | 62.7 | Low | 54 Ų | 54 | 63.1 Ų | 63.1 | 56% | 0.557 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | -130.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q1324 T1328 | Q1324-G1326 WeakPolarHBondContact CG-O 3.4Å; Q1324-G1326 PolarHBondContact NE2-O 2.9Å; G1326-T1328 VanDerWaalsContact C-N 3.32Å |
| 1327 | E | 64.1 | Low | 64.5 | Low | 151 Ų | 151 | 66.6 Ų | 66.6 | 71% | 0.706 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -5.5 | 174.8 | -65.4 | 174.5 | 167.7 | 0 | 0 | 112.7 | R1325 Q1347 | R1325-E1327 PolarHBondContact O-N 3.06Å; E1327-Q1347 HydrophobicContact CB-CG 4.18Å |
| 1328 | T | 71.2 | Confident | 66.4 | Low | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 132.1 | -171.6 | -52.4 | 0 | 0 | 0 | 0 | 112.7 | Q1324 R1325 G1326 W1330 T1343 H1345 Q1347 D1350 | Q1324-T1328 CarbonylContact C-O 3.48Å; Q1324-T1328 WeakPolarHBondContact CA-O 3.31Å; R1325-T1328 PolarHBondContact N-O 3.46Å; R1325-T1328 WeakPolarHBondContact O-CB 3.44Å; R1325-T1328 PolarHBondContact O-N 3.11Å; G1326-T1328 VanDerWaalsContact C-N 3.32Å; T1328-W1330 HydrophobicContact CG2-CD2 4.35Å; T1328-W1330 HydrophobicContact CG2-CG 4.31Å; T1328-W1330 HydrophobicContact CG2-CZ2 4.24Å; T1328-T1343 HydrophobicContact CG2-CG2 3.65Å; T1328-T1343 WeakPolarHBondContact CG2-OG1 3.45Å; T1328-H1345 WeakPolarHBondContact CG2-O 3.43Å; T1328-Q1347 WeakPolarHBondContact OG1-CB 3.28Å; T1328-Q1347 VanDerWaalsContact OG1-CG 3.27Å; T1328-Q1347 WeakPolarHBondContact OG1-CG 3.33Å; T1328-D1350 WeakPolarHBondContact CB-OD2 3.31Å; T1328-D1350 VanDerWaalsContact CG2-OD2 3.24Å; T1328-D1350 WeakPolarHBondContact CG2-OD2 3.06Å; T1328-D1350 PolarHBondContact OG1-OD1 3.01Å; T1328-D1350 PolarHBondContact OG1-OD2 2.84Å |
| 1329 | I | 75.1 | Confident | 68.1 | Low | 72 Ų | 72 | 61.5 Ų | 61.5 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 101 | 177.3 | -60.3 | 179 | 0 | 0 | 0 | 109.7 | Q1322 T1343 | Q1322-I1329 HydrophobicContact CG-CG2 3.53Å; I1329-T1343 WeakPolarHBondContact O-CA 3.49Å; I1329-T1343 VanDerWaalsContact O-CB 3.29Å; I1329-T1343 WeakPolarHBondContact O-CB 3.3Å; I1329-T1343 PolarHBondContact O-OG1 3.47Å; I1329-T1343 VanDerWaalsContact O-OG1 3.12Å |
| 1330 | W | 82.7 | Confident | 69.9 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 151.3 | 178.7 | -69.5 | 91.7 | 0 | 0 | 0 | 112.2 | I1268 I1270 Q1322 F1323 T1328 L1341 T1342 T1343 D1350 Y1354 | I1268-W1330 HydrophobicContact CG2-CH2 3.8Å; I1268-W1330 HydrophobicContact CG2-CZ3 3.88Å; I1270-W1330 HydrophobicContact CD1-CH2 4.16Å; I1270-W1330 HydrophobicContact CD1-CZ3 4.08Å; Q1322-W1330 CarbonylContact C-O 3.54Å; Q1322-W1330 VanDerWaalsContact CA-O 3.31Å; Q1322-W1330 WeakPolarHBondContact CA-O 3.4Å; Q1322-W1330 WeakPolarHBondContact CG-O 3.15Å; F1323-W1330 HydrophobicContact CD1-CB 3.93Å; F1323-W1330 HydrophobicContact CD2-CB 3.99Å; F1323-W1330 HydrophobicContact CE1-CB 3.54Å; F1323-W1330 HydrophobicContact CE2-CB 3.61Å; F1323-W1330 AromaticContact CE2-CG 3.96Å; F1323-W1330 HydrophobicContact CE2-CG 3.96Å; F1323-W1330 HydrophobicContact CG-CB 4.15Å; F1323-W1330 HydrophobicContact CZ-CB 3.38Å; F1323-W1330 AromaticContact CZ-CG 3.94Å; F1323-W1330 HydrophobicContact CZ-CG 3.94Å; F1323-W1330 PolarHBondContact N-O 2.78Å; F1323-W1330 WeakPolarHBondContact O-CA 3.42Å; F1323-W1330 WeakPolarHBondContact O-CB 3.39Å; F1323-W1330 PolarHBondContact O-N 3.4Å; F1323-W1330 VanDerWaalsContact O-O 3.09Å; T1328-W1330 HydrophobicContact CG2-CD2 4.35Å; T1328-W1330 HydrophobicContact CG2-CG 4.31Å; T1328-W1330 HydrophobicContact CG2-CZ2 4.24Å; W1330-L1341 HydrophobicContact CB-CD1 4.11Å; W1330-L1341 HydrophobicContact CD2-CD1 4.13Å; W1330-L1341 HydrophobicContact CE3-CD1 3.46Å; W1330-L1341 VanDerWaalsContact CE3-CD1 3.46Å; W1330-L1341 HydrophobicContact CE3-CD2 4.11Å; W1330-L1341 HydrophobicContact CE3-CG 3.52Å; W1330-L1341 HydrophobicContact CG-CD1 4.44Å; W1330-L1341 HydrophobicContact CZ3-CD1 4.2Å; W1330-L1341 HydrophobicContact CZ3-CD2 4.12Å; W1330-L1341 HydrophobicContact CZ3-CG 3.73Å; W1330-T1342 CarbonylContact C-O 3.56Å; W1330-T1342 VanDerWaalsContact CA-O 3.26Å; W1330-T1342 WeakPolarHBondContact CA-O 3.28Å; W1330-T1343 HydrophobicContact CD2-CG2 4.09Å; W1330-T1343 HydrophobicContact CE3-CG2 3.96Å; W1330-T1343 HydrophobicContact CH2-CG2 3.8Å; W1330-T1343 HydrophobicContact CZ2-CG2 3.87Å; W1330-T1343 HydrophobicContact CZ3-CG2 3.84Å; W1330-D1350 HydrophobicContact CZ2-CB 3.93Å; W1330-D1350 WeakPolarHBondContact CZ2-OD1 3.31Å; W1330-D1350 PolarHBondContact NE1-OD1 2.8Å; W1330-Y1354 AromaticContact CH2-CE1 3.89Å; W1330-Y1354 HydrophobicContact CH2-CE1 3.89Å; W1330-Y1354 AromaticContact CH2-CZ 3.67Å; W1330-Y1354 WeakPolarHBondContact CH2-OH 3.35Å; W1330-Y1354 HydrophobicContact CZ2-CE1 4.06Å; W1330-Y1354 AromaticContact CZ2-CZ 3.75Å; W1330-Y1354 WeakPolarHBondContact CZ2-OH 3.46Å; W1330-Y1354 HydrophobicContact CZ3-CE1 4.4Å |
| 1331 | R | 78.5 | Confident | 71.5 | Confident | 48 Ų | 48 | 49.5 Ų | 49.5 | 18% | 0.181 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.1 | 174.1 | -50.2 | -175.3 | -170.1 | 98.5 | 5.1 | 110.4 | N1321 Q1322 L1341 T1342 D1344 | N1321-R1331 WeakPolarHBondContact O-CA 3.43Å; Q1322-R1331 HydrophobicContact CB-CG 4.13Å; Q1322-R1331 HydrophobicContact CG-CG 3.99Å; R1331-L1341 CarbonylContact O-C 3.44Å; R1331-L1341 WeakPolarHBondContact O-CA 3.3Å; R1331-T1342 HydrophobicContact CB-CG2 4Å; R1331-T1342 PolarHBondContact N-O 3.16Å; R1331-T1342 PolarHBondContact O-N 2.93Å; R1331-D1344 IonicContact CZ-OD1 3.38Å; R1331-D1344 IonicContact CZ-OD2 3.85Å; R1331-D1344 VanDerWaalsContact CZ-OD2 3.26Å; R1331-D1344 IonicContact NH1-OD1 3.68Å; R1331-D1344 PolarHBondContact NH1-OD1 3.49Å; R1331-D1344 IonicContact NH1-OD2 2.82Å; R1331-D1344 PolarHBondContact NH1-OD2 3.39Å; R1331-D1344 IonicContact NH2-OD1 3.21Å; R1331-D1344 IonicContact NH2-OD2 2.72Å; R1331-D1344 PolarHBondContact NH2-OD2 3.48Å |
| 1332 | T | 84.3 | Confident | 72.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.5 | 173.4 | -171.1 | 0 | 0 | 0 | 0 | 112.9 | W1288 Y1296 M1298 N1321 V1340 | W1288-T1332 PolarHBondContact NE1-OG1 2.71Å; Y1296-T1332 HydrophobicContact CD1-CG2 3.4Å; Y1296-T1332 VanDerWaalsContact CD1-CG2 3.4Å; Y1296-T1332 HydrophobicContact CE1-CG2 3.44Å; Y1296-T1332 VanDerWaalsContact CE1-CG2 3.44Å; Y1296-T1332 HydrophobicContact CG-CG2 4.44Å; M1298-T1332 HydrophobicContact CB-CG2 3.99Å; M1298-T1332 HydrophobicContact SD-CG2 4.23Å; N1321-T1332 VanDerWaalsContact CB-O 3.28Å; N1321-T1332 WeakPolarHBondContact CB-O 3.45Å; N1321-T1332 PolarHBondContact ND2-O 3.17Å; N1321-T1332 PolarHBondContact O-N 3.41Å; T1332-V1340 WeakPolarHBondContact CA-O 3.42Å; T1332-V1340 VanDerWaalsContact CB-O 3.27Å; T1332-V1340 WeakPolarHBondContact CB-O 3.4Å; T1332-V1340 PolarHBondContact OG1-O 3.03Å |
| 1333 | Y | 73.9 | Confident | 73.1 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 177.4 | 178.5 | 48.9 | -93.3 | 0 | 0 | 0 | 111.2 | M1335 V1340 T1342 | Y1333-M1335 HydrophobicContact CD2-CB 3.84Å; Y1333-M1335 HydrophobicContact CE2-CB 3.72Å; Y1333-M1335 HydrophobicContact CE2-CG 4.35Å; Y1333-M1335 HydrophobicContact CE2-SD 3.8Å; Y1333-V1340 HydrophobicContact CD2-CB 3.94Å; Y1333-V1340 HydrophobicContact CD2-CG1 4.5Å; Y1333-V1340 HydrophobicContact CD2-CG2 4.21Å; Y1333-V1340 HydrophobicContact CE1-CG1 4.22Å; Y1333-V1340 HydrophobicContact CE2-CB 3.69Å; Y1333-V1340 HydrophobicContact CE2-CG1 3.81Å; Y1333-V1340 HydrophobicContact CE2-CG2 3.88Å; Y1333-V1340 HydrophobicContact CG-CB 4.46Å; Y1333-V1340 PolarHBondContact N-O 2.98Å; Y1333-V1340 PolarHBondContact O-N 3.49Å; Y1333-T1342 HydrophobicContact CE1-CG2 3.65Å |
| 1334 | L | 72.2 | Confident | 72.7 | Confident | 43 Ų | 43 | 46.5 Ų | 46.5 | 23% | 0.225 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.6 | 165 | -73.1 | -179.3 | 0 | 0 | 0 | 109.8 | L1274 I1284 M1298 T1300 V1302 H1338 C1339 | L1274-L1334 HydrophobicContact CD1-CD2 3.94Å; L1274-L1334 HydrophobicContact CD2-CD2 4.4Å; L1274-L1334 HydrophobicContact CG-CD2 4.34Å; I1284-L1334 HydrophobicContact CD1-CD1 4.06Å; I1284-L1334 HydrophobicContact CD1-CD2 4.06Å; M1298-L1334 HydrophobicContact CE-CG 4.44Å; T1300-L1334 HydrophobicContact CG2-CD1 3.69Å; T1300-L1334 HydrophobicContact CG2-CG 4.04Å; V1302-L1334 HydrophobicContact CG2-CD1 4.08Å; L1334-H1338 WeakPolarHBondContact CA-O 3.41Å; L1334-C1339 HydrophobicContact CD2-CB 4.4Å; L1334-C1339 VanDerWaalsContact CD2-SG 3.57Å |
| 1335 | M | 58.4 | Low | 72.6 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 23% | 0.232 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 138.2 | 176.3 | -174.8 | -176.5 | 82.4 | 0 | 0 | 108.9 | R1271 Y1333 N1337 H1338 V1340 | R1271-M1335 VanDerWaalsContact CZ-CE 3.45Å; Y1333-M1335 HydrophobicContact CD2-CB 3.84Å; Y1333-M1335 HydrophobicContact CE2-CB 3.72Å; Y1333-M1335 HydrophobicContact CE2-CG 4.35Å; Y1333-M1335 HydrophobicContact CE2-SD 3.8Å; M1335-N1337 VanDerWaalsContact C-N 3.31Å; M1335-N1337 PolarHBondContact O-N 3.49Å; M1335-H1338 PolarHBondContact N-O 2.9Å; M1335-H1338 WeakPolarHBondContact O-CA 3.32Å; M1335-H1338 WeakPolarHBondContact O-CB 3.35Å; M1335-H1338 PolarHBondContact O-N 2.82Å; M1335-V1340 HydrophobicContact CB-CG2 4.03Å; M1335-V1340 HydrophobicContact CE-CG2 4.41Å |
| 1336 | D | 58.6 | Low | 72.9 | Confident | 69 Ų | 69 | 43.1 Ų | 43.1 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 41.9 | 174.2 | -44.7 | -25 | 0 | 0 | 0 | 114.9 | R1271 H1338 | R1271-D1336 IonicContact NH1-OD2 2.66Å; R1271-D1336 PolarHBondContact NH1-OD2 3.27Å; D1336-H1338 PolarHBondContact O-N 2.87Å; D1336-H1338 PolarHBondContact O-ND1 3.07Å |
| 1337 | N | 65.2 | Low | 73.1 | Confident | 112 Ų | 112 | 43.1 Ų | 43.1 | 60% | 0.599 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 29.1 | -170.6 | -66.5 | -28 | 0 | 0 | 0 | 115.1 | L1274 M1335 | L1274-N1337 WeakPolarHBondContact CB-O 3.38Å; L1274-N1337 PolarHBondContact N-O 2.8Å; M1335-N1337 VanDerWaalsContact C-N 3.31Å; M1335-N1337 PolarHBondContact O-N 3.49Å |
| 1338 | H | 70.3 | Confident | 73.2 | Confident | 55 Ų | 55 | 39.2 Ų | 39.2 | 26% | 0.255 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 144.5 | 172.8 | -65 | 68.8 | 0 | 0 | 0 | 111.3 | R1271 C1272 P1273 L1334 M1335 D1336 V1340 | R1271-H1338 HydrophobicContact CB-CB 4.29Å; C1272-H1338 CarbonylContact O-C 3.59Å; C1272-H1338 VanDerWaalsContact O-CA 3.3Å; C1272-H1338 WeakPolarHBondContact O-CA 3.29Å; P1273-H1338 VanDerWaalsContact CA-CD2 3.45Å; P1273-H1338 WeakPolarHBondContact CA-CD2 3.42Å; L1334-H1338 WeakPolarHBondContact CA-O 3.41Å; M1335-H1338 PolarHBondContact N-O 2.9Å; M1335-H1338 WeakPolarHBondContact O-CA 3.32Å; M1335-H1338 WeakPolarHBondContact O-CB 3.35Å; M1335-H1338 PolarHBondContact O-N 2.82Å; D1336-H1338 PolarHBondContact O-N 2.87Å; D1336-H1338 PolarHBondContact O-ND1 3.07Å; H1338-V1340 HydrophobicContact CB-CG2 4.31Å |
| 1339 | C | 76.4 | Confident | 73.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 120.7 | 157.7 | -61.2 | 0 | 0 | 0 | 0 | 108.3 | C1272 V1286 W1288 L1334 I1358 | C1272-C1339 HydrophobicContact CB-CB 4.37Å; C1272-C1339 PolarHBondContact N-O 2.85Å; C1272-C1339 PolarHBondContact O-N 2.8Å; V1286-C1339 HydrophobicContact CG1-CB 4.02Å; V1286-C1339 HydrophobicContact CG2-CB 4.47Å; V1286-C1339 VanDerWaalsContact CG2-SG 3.55Å; W1288-C1339 HydrophobicContact CZ2-CB 4.15Å; L1334-C1339 HydrophobicContact CD2-CB 4.4Å; L1334-C1339 VanDerWaalsContact CD2-SG 3.57Å; C1339-I1358 HydrophobicContact CB-CD1 4.48Å |
| 1340 | V | 76.5 | Confident | 73.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.7 | -175.9 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | V1269 I1270 R1271 T1332 Y1333 M1335 H1338 | V1269-V1340 HydrophobicContact CG1-CG1 3.48Å; V1269-V1340 VanDerWaalsContact CG1-CG1 3.48Å; I1270-V1340 CarbonylContact O-C 3.56Å; I1270-V1340 WeakPolarHBondContact O-CA 3.5Å; R1271-V1340 HydrophobicContact CG-CG2 4.36Å; T1332-V1340 WeakPolarHBondContact CA-O 3.42Å; T1332-V1340 VanDerWaalsContact CB-O 3.27Å; T1332-V1340 WeakPolarHBondContact CB-O 3.4Å; T1332-V1340 PolarHBondContact OG1-O 3.03Å; Y1333-V1340 HydrophobicContact CD2-CB 3.94Å; Y1333-V1340 HydrophobicContact CD2-CG1 4.5Å; Y1333-V1340 HydrophobicContact CD2-CG2 4.21Å; Y1333-V1340 HydrophobicContact CE1-CG1 4.22Å; Y1333-V1340 HydrophobicContact CE2-CB 3.69Å; Y1333-V1340 HydrophobicContact CE2-CG1 3.81Å; Y1333-V1340 HydrophobicContact CE2-CG2 3.88Å; Y1333-V1340 HydrophobicContact CG-CB 4.46Å; Y1333-V1340 PolarHBondContact N-O 2.98Å; Y1333-V1340 PolarHBondContact O-N 3.49Å; M1335-V1340 HydrophobicContact CB-CG2 4.03Å; M1335-V1340 HydrophobicContact CE-CG2 4.41Å; H1338-V1340 HydrophobicContact CB-CG2 4.31Å |
| 1341 | L | 84.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.5 | 168.6 | 170.3 | 64.9 | 0 | 0 | 0 | 108.2 | I1270 W1288 I1295 F1323 W1330 R1331 Y1354 | I1270-L1341 HydrophobicContact CB-CB 4.3Å; I1270-L1341 HydrophobicContact CD1-CD2 4.21Å; I1270-L1341 PolarHBondContact N-O 3.33Å; I1270-L1341 PolarHBondContact O-N 2.93Å; W1288-L1341 HydrophobicContact CB-CD2 4.45Å; W1288-L1341 HydrophobicContact CD2-CB 3.85Å; W1288-L1341 HydrophobicContact CD2-CD2 3.79Å; W1288-L1341 HydrophobicContact CD2-CG 4.35Å; W1288-L1341 HydrophobicContact CE3-CB 3.99Å; W1288-L1341 HydrophobicContact CE3-CD2 3.59Å; W1288-L1341 HydrophobicContact CE3-CG 4.42Å; W1288-L1341 HydrophobicContact CG-CD2 4.17Å; W1288-L1341 HydrophobicContact CH2-CB 3.67Å; W1288-L1341 HydrophobicContact CZ2-CB 3.53Å; W1288-L1341 HydrophobicContact CZ3-CB 3.89Å; W1288-L1341 HydrophobicContact CZ3-CD2 4.07Å; I1295-L1341 HydrophobicContact CD1-CD2 4.07Å; F1323-L1341 HydrophobicContact CE1-CD1 3.64Å; F1323-L1341 HydrophobicContact CZ-CD1 3.58Å; W1330-L1341 HydrophobicContact CB-CD1 4.11Å; W1330-L1341 HydrophobicContact CD2-CD1 4.13Å; W1330-L1341 HydrophobicContact CE3-CD1 3.46Å; W1330-L1341 VanDerWaalsContact CE3-CD1 3.46Å; W1330-L1341 HydrophobicContact CE3-CD2 4.11Å; W1330-L1341 HydrophobicContact CE3-CG 3.52Å; W1330-L1341 HydrophobicContact CG-CD1 4.44Å; W1330-L1341 HydrophobicContact CZ3-CD1 4.2Å; W1330-L1341 HydrophobicContact CZ3-CD2 4.12Å; W1330-L1341 HydrophobicContact CZ3-CG 3.73Å; R1331-L1341 CarbonylContact O-C 3.44Å; R1331-L1341 WeakPolarHBondContact O-CA 3.3Å; L1341-Y1354 HydrophobicContact CD2-CD1 3.77Å; L1341-Y1354 HydrophobicContact CD2-CE1 3.98Å |
| 1342 | T | 81.8 | Confident | 73.4 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 153.8 | -172.8 | 177.9 | 0 | 0 | 0 | 0 | 112.3 | I1268 W1330 R1331 Y1333 | I1268-T1342 WeakPolarHBondContact O-CA 3.26Å; I1268-T1342 WeakPolarHBondContact O-CB 3.28Å; I1268-T1342 PolarHBondContact O-OG1 3Å; W1330-T1342 CarbonylContact C-O 3.56Å; W1330-T1342 VanDerWaalsContact CA-O 3.26Å; W1330-T1342 WeakPolarHBondContact CA-O 3.28Å; R1331-T1342 HydrophobicContact CB-CG2 4Å; R1331-T1342 PolarHBondContact N-O 3.16Å; R1331-T1342 PolarHBondContact O-N 2.93Å; Y1333-T1342 HydrophobicContact CE1-CG2 3.65Å |
| 1343 | T | 79.7 | Confident | 73.1 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 151.2 | 164.7 | 170 | 0 | 0 | 0 | 0 | 108.5 | P1267 I1268 T1328 I1329 W1330 H1345 V1346 | P1267-T1343 WeakPolarHBondContact CA-O 3.05Å; I1268-T1343 HydrophobicContact CG2-CG2 3.53Å; I1268-T1343 PolarHBondContact N-O 2.86Å; I1268-T1343 PolarHBondContact O-N 3.21Å; T1328-T1343 HydrophobicContact CG2-CG2 3.65Å; T1328-T1343 WeakPolarHBondContact CG2-OG1 3.45Å; I1329-T1343 WeakPolarHBondContact O-CA 3.49Å; I1329-T1343 VanDerWaalsContact O-CB 3.29Å; I1329-T1343 WeakPolarHBondContact O-CB 3.3Å; I1329-T1343 PolarHBondContact O-OG1 3.47Å; I1329-T1343 VanDerWaalsContact O-OG1 3.12Å; W1330-T1343 HydrophobicContact CD2-CG2 4.09Å; W1330-T1343 HydrophobicContact CE3-CG2 3.96Å; W1330-T1343 HydrophobicContact CH2-CG2 3.8Å; W1330-T1343 HydrophobicContact CZ2-CG2 3.87Å; W1330-T1343 HydrophobicContact CZ3-CG2 3.84Å; T1343-H1345 PolarHBondContact OG1-N 3Å; T1343-H1345 PolarHBondContact OG1-O 2.8Å; T1343-V1346 HydrophobicContact CG2-CG2 3.67Å |
| 1344 | D | 68.5 | Low | 73.6 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 37% | 0.369 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -79.3 | -24.7 | 177.7 | -54.9 | -29.6 | 0 | 0 | 0 | 112.6 | D1266 P1267 R1331 | D1266-D1344 CarbonylContact C-O 3.42Å; P1267-D1344 WeakPolarHBondContact CA-O 3.44Å; R1331-D1344 IonicContact CZ-OD1 3.38Å; R1331-D1344 IonicContact CZ-OD2 3.85Å; R1331-D1344 VanDerWaalsContact CZ-OD2 3.26Å; R1331-D1344 IonicContact NH1-OD1 3.68Å; R1331-D1344 PolarHBondContact NH1-OD1 3.49Å; R1331-D1344 IonicContact NH1-OD2 2.82Å; R1331-D1344 PolarHBondContact NH1-OD2 3.39Å; R1331-D1344 IonicContact NH2-OD1 3.21Å; R1331-D1344 IonicContact NH2-OD2 2.72Å; R1331-D1344 PolarHBondContact NH2-OD2 3.48Å |
| 1345 | H | 67.9 | Low | 74.1 | Confident | 120 Ų | 120 | 43.3 Ų | 43.3 | 56% | 0.556 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -141.8 | 103.3 | -176.3 | -66 | -47.2 | 0 | 0 | 0 | 110.2 | G1265 D1266 T1328 T1343 | G1265-H1345 PolarHBondContact O-ND1 2.76Å; D1266-H1345 CarbonylContact O-C 3.51Å; D1266-H1345 WeakPolarHBondContact O-CA 3.38Å; T1328-H1345 WeakPolarHBondContact CG2-O 3.43Å; T1343-H1345 PolarHBondContact OG1-N 3Å; T1343-H1345 PolarHBondContact OG1-O 2.8Å |
| 1346 | V | 72.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -75.6 | 128.9 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | V1262 G1265 D1266 I1268 T1343 D1350 L1373 | V1262-V1346 HydrophobicContact CG1-CB 4.46Å; V1262-V1346 HydrophobicContact CG1-CG2 4.18Å; G1265-V1346 PolarHBondContact N-O 2.89Å; D1266-V1346 WeakPolarHBondContact O-CG2 3.5Å; D1266-V1346 PolarHBondContact O-N 2.86Å; I1268-V1346 HydrophobicContact CB-CG2 3.68Å; I1268-V1346 HydrophobicContact CG2-CG2 3.33Å; T1343-V1346 HydrophobicContact CG2-CG2 3.67Å; V1346-D1350 HydrophobicContact CG1-CB 4.13Å; V1346-L1373 HydrophobicContact CG1-CD1 3.92Å; V1346-L1373 HydrophobicContact CG1-CD2 3.44Å; V1346-L1373 VanDerWaalsContact CG1-CD2 3.44Å; V1346-L1373 HydrophobicContact CG1-CG 4.35Å | ||
| 1347 | Q | 71.6 | Confident | 76.7 | Confident | 55 Ų | 55 | 41.5 Ų | 41.5 | 26% | 0.257 | 21% | 0.21 | S | C | . | . | trans | -105.7 | 163.1 | 178.5 | -63.8 | -69.2 | -1.5 | 0 | 0 | 111.4 | E1327 T1328 T1349 D1350 L1373 | E1327-Q1347 HydrophobicContact CB-CG 4.18Å; T1328-Q1347 WeakPolarHBondContact OG1-CB 3.28Å; T1328-Q1347 VanDerWaalsContact OG1-CG 3.27Å; T1328-Q1347 WeakPolarHBondContact OG1-CG 3.33Å; Q1347-T1349 PolarHBondContact O-N 2.82Å; Q1347-D1350 PolarHBondContact N-OD2 2.86Å; Q1347-D1350 WeakPolarHBondContact O-CB 3.44Å; Q1347-D1350 PolarHBondContact O-N 2.92Å; Q1347-L1373 VanDerWaalsContact O-CD1 3.24Å; Q1347-L1373 WeakPolarHBondContact O-CD1 3.38Å | ||
| 1348 | N | 66.5 | Low | 77.6 | Confident | 68 Ų | 68 | 36.3 Ų | 36.3 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -55 | -21.6 | 177.2 | -55.5 | 6.4 | 0 | 0 | 0 | 113.5 | V1264 D1350 L1406 | V1264-N1348 WeakPolarHBondContact CG1-OD1 3.24Å; V1264-N1348 WeakPolarHBondContact CG2-OD1 3.43Å; N1348-D1350 VanDerWaalsContact C-N 3.33Å; N1348-L1406 HydrophobicContact CB-CD1 4Å; N1348-L1406 HydrophobicContact CB-CD2 4.04Å |
| 1349 | T | 72.6 | Confident | 78.2 | Confident | 81 Ų | 81 | 37 Ų | 37 | 50% | 0.497 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -81.9 | -3.4 | 178.6 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | Q1347 | Q1347-T1349 PolarHBondContact O-N 2.82Š|
| 1350 | D | 81 | Confident | 78.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -95.4 | -10.5 | -178.6 | -65.4 | -54.3 | 0 | 0 | 0 | 113.7 | H1290 T1328 W1330 V1346 Q1347 N1348 Y1354 | H1290-D1350 PolarHBondContact NE2-O 2.92Å; T1328-D1350 WeakPolarHBondContact CB-OD2 3.31Å; T1328-D1350 VanDerWaalsContact CG2-OD2 3.24Å; T1328-D1350 WeakPolarHBondContact CG2-OD2 3.06Å; T1328-D1350 PolarHBondContact OG1-OD1 3.01Å; T1328-D1350 PolarHBondContact OG1-OD2 2.84Å; W1330-D1350 HydrophobicContact CZ2-CB 3.93Å; W1330-D1350 WeakPolarHBondContact CZ2-OD1 3.31Å; W1330-D1350 PolarHBondContact NE1-OD1 2.8Å; V1346-D1350 HydrophobicContact CG1-CB 4.13Å; Q1347-D1350 PolarHBondContact N-OD2 2.86Å; Q1347-D1350 WeakPolarHBondContact O-CB 3.44Å; Q1347-D1350 PolarHBondContact O-N 2.92Å; N1348-D1350 VanDerWaalsContact C-N 3.33Å; D1350-Y1354 WeakPolarHBondContact O-CE2 3.38Å; D1350-Y1354 PolarHBondContact O-OH 2.87Å |
| 1351 | E | 78.5 | Confident | 78 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | trans | -56.2 | 140.7 | 173.5 | -163.3 | -178.9 | 142.1 | 0 | 0 | 111 | H1290 L1371 L1373 Q1407 | H1290-E1351 PolarHBondContact CE1-O 2.9Å; H1290-E1351 PolarHBondContact NE2-O 2.81Å; E1351-L1371 WeakPolarHBondContact CG-O 3.32Å; E1351-L1373 HydrophobicContact CB-CD1 3.91Å; E1351-L1373 HydrophobicContact CB-CG 3.99Å; E1351-L1373 HydrophobicContact CG-CG 4.29Å; E1351-Q1407 PolarHBondContact OE1-NE2 3.02Å | ||
| 1352 | G | 79.6 | Confident | 77.1 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 134.9 | -168.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | H1290 L1371 | H1290-G1352 WeakPolarHBondContact NE2-CA 3.45Å; G1352-L1371 PolarHBondContact N-O 3.14Å; G1352-L1371 PolarHBondContact O-N 3.44Å |
| 1353 | I | 78 | Confident | 76.4 | Confident | 94 Ų | 94 | 47.6 Ų | 47.6 | 48% | 0.482 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 107.3 | -170 | -54.8 | 177 | 0 | 0 | 0 | 111 | H1290 D1291 | H1290-I1353 CarbonylContact C-O 3.6Å; H1290-I1353 WeakPolarHBondContact CA-O 2.89Å; D1291-I1353 PolarHBondContact N-O 3.39Å; D1291-I1353 PolarHBondContact OD1-N 3.27Å |
| 1354 | Y | 85 | Confident | 76.2 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.9 | 170.3 | -68.5 | -94.9 | 0 | 0 | 0 | 111 | I1259 I1270 L1289 H1290 I1295 W1330 L1341 D1350 S1368 G1369 L1371 | I1259-Y1354 HydrophobicContact CD1-CD2 4.12Å; I1259-Y1354 HydrophobicContact CD1-CG 4.3Å; I1270-Y1354 HydrophobicContact CD1-CD1 3.71Å; I1270-Y1354 HydrophobicContact CD1-CD2 3.76Å; I1270-Y1354 HydrophobicContact CD1-CE1 3.97Å; I1270-Y1354 HydrophobicContact CD1-CE2 4.02Å; I1270-Y1354 HydrophobicContact CD1-CG 3.61Å; L1289-Y1354 CarbonylContact O-C 3.5Å; L1289-Y1354 VanDerWaalsContact O-CA 3.31Å; L1289-Y1354 WeakPolarHBondContact O-CA 3.32Å; H1290-Y1354 HydrophobicContact CB-CD1 4.24Å; H1290-Y1354 HydrophobicContact CB-CE1 4.16Å; H1290-Y1354 AromaticContact CD2-CD2 3.94Å; H1290-Y1354 AromaticContact CD2-CE1 3.88Å; H1290-Y1354 AromaticContact CD2-CE2 3.49Å; H1290-Y1354 VanDerWaalsContact CD2-CE2 3.49Å; H1290-Y1354 WeakPolarHBondContact CD2-CE2 3.44Å; H1290-Y1354 AromaticContact CD2-CZ 3.44Å; H1290-Y1354 VanDerWaalsContact CD2-CZ 3.44Å; I1295-Y1354 HydrophobicContact CD1-CD1 4.17Å; I1295-Y1354 HydrophobicContact CD1-CE1 3.93Å; W1330-Y1354 AromaticContact CH2-CE1 3.89Å; W1330-Y1354 HydrophobicContact CH2-CE1 3.89Å; W1330-Y1354 AromaticContact CH2-CZ 3.67Å; W1330-Y1354 WeakPolarHBondContact CH2-OH 3.35Å; W1330-Y1354 HydrophobicContact CZ2-CE1 4.06Å; W1330-Y1354 AromaticContact CZ2-CZ 3.75Å; W1330-Y1354 WeakPolarHBondContact CZ2-OH 3.46Å; W1330-Y1354 HydrophobicContact CZ3-CE1 4.4Å; L1341-Y1354 HydrophobicContact CD2-CD1 3.77Å; L1341-Y1354 HydrophobicContact CD2-CE1 3.98Å; D1350-Y1354 WeakPolarHBondContact O-CE2 3.38Å; D1350-Y1354 PolarHBondContact O-OH 2.87Å; Y1354-S1368 CarbonylContact O-C 3.6Å; Y1354-S1368 WeakPolarHBondContact O-CA 3.47Å; Y1354-S1368 WeakPolarHBondContact O-CB 3.41Å; Y1354-G1369 PolarHBondContact N-O 3.05Å; Y1354-G1369 PolarHBondContact O-N 2.96Å; Y1354-L1371 HydrophobicContact CD2-CB 3.99Å; Y1354-L1371 HydrophobicContact CE2-CB 3.82Å; Y1354-L1371 HydrophobicContact CE2-CD2 3.74Å; Y1354-L1371 HydrophobicContact CE2-CG 4.44Å |
| 1355 | K | 82.2 | Confident | 76.5 | Confident | 63 Ų | 63 | 51.1 Ų | 51.1 | 27% | 0.274 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.4 | 171.3 | 170.5 | 169.8 | -80 | -160.3 | 0 | 110.3 | L1289 E1366 S1367 | L1289-K1355 HydrophobicContact CB-CB 4.28Å; L1289-K1355 HydrophobicContact CD1-CG 4.26Å; L1289-K1355 WeakPolarHBondContact CD1-O 3.49Å; L1289-K1355 PolarHBondContact N-O 2.91Å; L1289-K1355 PolarHBondContact O-N 2.88Å; K1355-E1366 HydrophobicContact CD-CB 4.46Å; K1355-E1366 WeakPolarHBondContact CD-OE2 3.47Å; K1355-E1366 WeakPolarHBondContact CE-OE2 3.27Å; K1355-E1366 IonicContact NZ-OE2 3.2Å; K1355-E1366 PolarHBondContact NZ-OE2 3.35Å; K1355-S1367 CarbonylContact C-O 3.55Å; K1355-S1367 VanDerWaalsContact CA-O 3.32Å; K1355-S1367 WeakPolarHBondContact CA-O 3.43Å |
| 1356 | C | 86.7 | Confident | 76.7 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 136.8 | 166.9 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | C1272 W1288 E1366 S1367 | C1272-C1356 HydrophobicContact CB-CB 3.67Å; C1272-C1356 VanDerWaalsContact SG-SG 3.69Å; W1288-C1356 HydrophobicContact CD2-CB 4.38Å; W1288-C1356 HydrophobicContact CE3-CB 3.86Å; W1288-C1356 HydrophobicContact CH2-CB 3.94Å; W1288-C1356 HydrophobicContact CZ2-CB 4.42Å; W1288-C1356 HydrophobicContact CZ3-CB 3.64Å; C1356-E1366 VanDerWaalsContact O-CA 3.31Å; C1356-E1366 WeakPolarHBondContact O-CA 3.42Å; C1356-S1367 PolarHBondContact N-O 2.99Å; C1356-S1367 PolarHBondContact O-N 2.86Å |
| 1357 | R | 85 | Confident | 76.4 | Confident | 75 Ų | 75 | 49.3 Ų | 49.3 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 106.3 | 173.8 | 169 | -170.2 | -70.7 | 158.4 | -3.9 | 109.1 | D1287 L1289 K1359 I1364 Y1365 E1366 | D1287-R1357 HydrophobicContact CB-CB 4.06Å; D1287-R1357 HydrophobicContact CB-CG 4.4Å; D1287-R1357 PolarHBondContact N-O 2.82Å; D1287-R1357 PolarHBondContact O-N 3.17Å; L1289-R1357 HydrophobicContact CD1-CB 4.19Å; R1357-K1359 HydrophobicContact CG-CG 4.48Å; R1357-I1364 HydrophobicContact CG-CG2 3.93Å; R1357-Y1365 CarbonylContact C-O 3.46Å; R1357-Y1365 WeakPolarHBondContact CA-O 3.2Å; R1357-E1366 HydrophobicContact CB-CG 4.15Å; R1357-E1366 HydrophobicContact CG-CG 4.19Å; R1357-E1366 IonicContact CZ-OE1 3.82Å; R1357-E1366 IonicContact NE-OE1 3.84Å; R1357-E1366 PolarHBondContact NE-OE1 2.87Å; R1357-E1366 IonicContact NH2-OE1 2.79Å; R1357-E1366 PolarHBondContact NH2-OE1 3.38Å |
| 1358 | I | 85.4 | Confident | 76.1 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.8 | -179.6 | -55 | 163.4 | 0 | 0 | 0 | 108.2 | L1274 I1278 I1284 V1286 C1339 I1364 Y1365 | L1274-I1358 HydrophobicContact CD2-CD1 4.24Å; L1274-I1358 HydrophobicContact CD2-CG2 4.3Å; I1278-I1358 HydrophobicContact CD1-CG2 3.67Å; I1284-I1358 HydrophobicContact CB-CG2 4.36Å; I1284-I1358 HydrophobicContact CD1-CG2 4.41Å; I1284-I1358 HydrophobicContact CG2-CG2 4.49Å; V1286-I1358 HydrophobicContact CG1-CG1 4.46Å; C1339-I1358 HydrophobicContact CB-CD1 4.48Å; I1358-I1364 WeakPolarHBondContact O-CA 3.35Å; I1358-Y1365 PolarHBondContact N-O 2.82Å; I1358-Y1365 PolarHBondContact O-N 3.44Å |
| 1359 | K | 82.6 | Confident | 75.9 | Confident | 68 Ų | 68 | 45.6 Ų | 45.6 | 30% | 0.296 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.3 | 173 | -49.8 | 172.2 | -167.3 | 155.8 | 0 | 108.8 | I1284 S1285 D1287 R1357 G1363 I1364 | I1284-K1359 CarbonylContact C-O 3.47Å; I1284-K1359 VanDerWaalsContact CA-O 3.22Å; I1284-K1359 WeakPolarHBondContact CA-O 3.35Å; S1285-K1359 PolarHBondContact N-O 2.84Å; S1285-K1359 PolarHBondContact O-N 3.4Å; D1287-K1359 IonicContact OD1-NZ 2.66Å; D1287-K1359 VanDerWaalsContact OD2-CE 3.31Å; D1287-K1359 WeakPolarHBondContact OD2-CE 3.43Å; D1287-K1359 IonicContact OD2-NZ 3.61Å; D1287-K1359 PolarHBondContact OD2-NZ 3.49Å; R1357-K1359 HydrophobicContact CG-CG 4.48Å; K1359-G1363 WeakPolarHBondContact CA-O 3.45Å; K1359-I1364 HydrophobicContact CB-CG1 4.4Å; K1359-I1364 HydrophobicContact CG-CD1 4.34Å; K1359-I1364 HydrophobicContact CG-CG1 4.07Å; K1359-I1364 HydrophobicContact CG-CG2 4.17Å |
| 1360 | S | 76.5 | Confident | 75.5 | Confident | 23 Ų | 23 | 43.8 Ų | 43.8 | 16% | 0.161 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | -179.6 | 175 | 56 | 0 | 0 | 0 | 0 | 110.6 | T1362 G1363 | S1360-T1362 PolarHBondContact O-N 2.92Å; S1360-T1362 PolarHBondContact OG-N 3.1Å; S1360-T1362 VanDerWaalsContact OG-N 3.1Å; S1360-T1362 PolarHBondContact OG-OG1 2.97Å; S1360-G1363 PolarHBondContact N-O 3.49Å; S1360-G1363 PolarHBondContact OG-N 3.3Å; S1360-G1363 PolarHBondContact OG-O 2.82Å |
| 1361 | D | 71.5 | Confident | 75.2 | Confident | 118 Ų | 118 | 43.9 Ų | 43.9 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -59 | -26.5 | 157.9 | 46 | 3 | 0 | 0 | 0 | 113.1 | S1282 | S1282-D1361 PolarHBondContact OG-OD1 2.92Š|
| 1362 | T | 64.9 | Low | 74.4 | Confident | 67 Ų | 67 | 44.3 Ų | 44.3 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -93.5 | -13.3 | -177.7 | 51.8 | 0 | 0 | 0 | 0 | 116.1 | V1277 S1360 | V1277-T1362 HydrophobicContact CG1-CG2 4.12Å; S1360-T1362 PolarHBondContact O-N 2.92Å; S1360-T1362 PolarHBondContact OG-N 3.1Å; S1360-T1362 VanDerWaalsContact OG-N 3.1Å; S1360-T1362 PolarHBondContact OG-OG1 2.97Å |
| 1363 | G | 67.2 | Low | 73.5 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | trans | 162.4 | -169.6 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | K1359 S1360 | K1359-G1363 WeakPolarHBondContact CA-O 3.45Å; S1360-G1363 PolarHBondContact N-O 3.49Å; S1360-G1363 PolarHBondContact OG-N 3.3Å; S1360-G1363 PolarHBondContact OG-O 2.82Å | ||
| 1364 | I | 76 | Confident | 72.7 | Confident | 114 Ų | 114 | 39.5 Ų | 39.5 | 59% | 0.585 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.9 | 168.2 | -54.4 | -176.7 | 0 | 0 | 0 | 108.1 | R1357 I1358 K1359 | R1357-I1364 HydrophobicContact CG-CG2 3.93Å; I1358-I1364 WeakPolarHBondContact O-CA 3.35Å; K1359-I1364 HydrophobicContact CB-CG1 4.4Å; K1359-I1364 HydrophobicContact CG-CD1 4.34Å; K1359-I1364 HydrophobicContact CG-CG1 4.07Å; K1359-I1364 HydrophobicContact CG-CG2 4.17Å |
| 1365 | Y | 74.9 | Confident | 71.1 | Confident | 29 Ų | 29 | 46 Ų | 46 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.9 | -177.9 | -51.9 | -93.7 | 0 | 0 | 0 | 108.8 | P1250 P1275 I1278 R1357 I1358 | P1250-Y1365 HydrophobicContact CB-CE1 4.22Å; P1275-Y1365 HydrophobicContact CB-CD1 3.93Å; P1275-Y1365 HydrophobicContact CB-CE1 3.82Å; P1275-Y1365 HydrophobicContact CB-CE2 4.46Å; P1275-Y1365 HydrophobicContact CB-CG 4.3Å; P1275-Y1365 HydrophobicContact CG-CD1 3.42Å; P1275-Y1365 VanDerWaalsContact CG-CD1 3.42Å; P1275-Y1365 HydrophobicContact CG-CD2 3.7Å; P1275-Y1365 HydrophobicContact CG-CE1 3.81Å; P1275-Y1365 HydrophobicContact CG-CE2 4.06Å; P1275-Y1365 HydrophobicContact CG-CG 3.36Å; I1278-Y1365 HydrophobicContact CD1-CD2 4.29Å; I1278-Y1365 HydrophobicContact CD1-CE2 4.17Å; I1278-Y1365 HydrophobicContact CG1-CE2 4.26Å; R1357-Y1365 CarbonylContact C-O 3.46Å; R1357-Y1365 WeakPolarHBondContact CA-O 3.2Å; I1358-Y1365 PolarHBondContact N-O 2.82Å; I1358-Y1365 PolarHBondContact O-N 3.44Å |
| 1366 | E | 72.4 | Confident | 69.6 | Low | 64 Ų | 64 | 44.7 Ų | 44.7 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.7 | 175.4 | -59.9 | -165.4 | 161.4 | 0 | 0 | 110.6 | K1355 C1356 R1357 | K1355-E1366 HydrophobicContact CD-CB 4.46Å; K1355-E1366 WeakPolarHBondContact CD-OE2 3.47Å; K1355-E1366 WeakPolarHBondContact CE-OE2 3.27Å; K1355-E1366 IonicContact NZ-OE2 3.2Å; K1355-E1366 PolarHBondContact NZ-OE2 3.35Å; C1356-E1366 VanDerWaalsContact O-CA 3.31Å; C1356-E1366 WeakPolarHBondContact O-CA 3.42Å; R1357-E1366 HydrophobicContact CB-CG 4.15Å; R1357-E1366 HydrophobicContact CG-CG 4.19Å; R1357-E1366 IonicContact CZ-OE1 3.82Å; R1357-E1366 IonicContact NE-OE1 3.84Å; R1357-E1366 PolarHBondContact NE-OE1 2.87Å; R1357-E1366 IonicContact NH2-OE1 2.79Å; R1357-E1366 PolarHBondContact NH2-OE1 3.38Å |
| 1367 | S | 65.6 | Low | 68.3 | Low | 19 Ų | 19 | 45.8 Ų | 45.8 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 147 | 167.4 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | K1355 C1356 | K1355-S1367 CarbonylContact C-O 3.55Å; K1355-S1367 VanDerWaalsContact CA-O 3.32Å; K1355-S1367 WeakPolarHBondContact CA-O 3.43Å; C1356-S1367 PolarHBondContact N-O 2.99Å; C1356-S1367 PolarHBondContact O-N 2.86Å |
| 1368 | S | 66.4 | Low | 67.1 | Low | 37 Ų | 37 | 45.4 Ų | 45.4 | 26% | 0.259 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 146 | -175.8 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | Y1354 | Y1354-S1368 CarbonylContact O-C 3.6Å; Y1354-S1368 WeakPolarHBondContact O-CA 3.47Å; Y1354-S1368 WeakPolarHBondContact O-CB 3.41Å |
| 1369 | G | 61.6 | Low | 66.5 | Low | 7 Ų | 7 | 46.4 Ų | 46.4 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 155.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1257 I1259 Y1354 | Q1257-G1369 WeakPolarHBondContact O-CA 3.22Å; I1259-G1369 WeakPolarHBondContact CD1-O 3.43Å; Y1354-G1369 PolarHBondContact N-O 3.05Å; Y1354-G1369 PolarHBondContact O-N 2.96Å |
| 1370 | S | 64.5 | Low | 65.5 | Low | 44 Ų | 44 | 44.9 Ų | 44.9 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 125.6 | 179.7 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | I1259 | I1259-S1370 CarbonylContact C-O 3.58Å; I1259-S1370 WeakPolarHBondContact CA-O 3.11Å; I1259-S1370 WeakPolarHBondContact CB-O 3.27Å; I1259-S1370 PolarHBondContact N-O 3.37Å |
| 1371 | L | 73.6 | Confident | 65.2 | Low | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.8 | 168.6 | 174.7 | 57.1 | 0 | 0 | 0 | 109.8 | I1259 V1262 I1268 E1351 G1352 Y1354 L1373 | I1259-L1371 HydrophobicContact CB-CB 4.32Å; I1259-L1371 HydrophobicContact CG2-CB 4.29Å; I1259-L1371 HydrophobicContact CG2-CD1 4.03Å; V1262-L1371 HydrophobicContact CB-CD1 4.21Å; V1262-L1371 HydrophobicContact CG2-CD1 4.03Å; I1268-L1371 HydrophobicContact CD1-CD1 3.48Å; I1268-L1371 VanDerWaalsContact CD1-CD1 3.48Å; I1268-L1371 HydrophobicContact CD1-CD2 3.59Å; I1268-L1371 HydrophobicContact CD1-CG 4.14Å; E1351-L1371 WeakPolarHBondContact CG-O 3.32Å; G1352-L1371 PolarHBondContact N-O 3.14Å; G1352-L1371 PolarHBondContact O-N 3.44Å; Y1354-L1371 HydrophobicContact CD2-CB 3.99Å; Y1354-L1371 HydrophobicContact CE2-CB 3.82Å; Y1354-L1371 HydrophobicContact CE2-CD2 3.74Å; Y1354-L1371 HydrophobicContact CE2-CG 4.44Å; L1371-L1373 HydrophobicContact CD1-CD2 3.92Å; L1371-L1373 HydrophobicContact CD2-CD2 3.94Å; L1371-L1373 HydrophobicContact CG-CD2 3.78Å |
| 1372 | S | 61.8 | Low | 65.4 | Low | 55 Ų | 55 | 49.6 Ų | 49.6 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 139.4 | 173.5 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | M1261 V1262 | M1261-S1372 WeakPolarHBondContact CA-O 3.26Å; V1262-S1372 PolarHBondContact N-O 2.81Å |
| 1373 | L | 62.5 | Low | 66.3 | Low | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.5 | -172.2 | -58 | -174.1 | 0 | 0 | 0 | 112.8 | V1262 V1346 Q1347 E1351 L1371 L1406 | V1262-L1373 HydrophobicContact CB-CD2 4.39Å; V1262-L1373 WeakPolarHBondContact O-CA 3.22Å; V1346-L1373 HydrophobicContact CG1-CD1 3.92Å; V1346-L1373 HydrophobicContact CG1-CD2 3.44Å; V1346-L1373 VanDerWaalsContact CG1-CD2 3.44Å; V1346-L1373 HydrophobicContact CG1-CG 4.35Å; Q1347-L1373 VanDerWaalsContact O-CD1 3.24Å; Q1347-L1373 WeakPolarHBondContact O-CD1 3.38Å; E1351-L1373 HydrophobicContact CB-CD1 3.91Å; E1351-L1373 HydrophobicContact CB-CG 3.99Å; E1351-L1373 HydrophobicContact CG-CG 4.29Å; L1371-L1373 HydrophobicContact CD1-CD2 3.92Å; L1371-L1373 HydrophobicContact CD2-CD2 3.94Å; L1371-L1373 HydrophobicContact CG-CD2 3.78Å; L1373-L1406 HydrophobicContact CB-CB 4.49Å; L1373-L1406 HydrophobicContact CB-CD1 3.52Å; L1373-L1406 HydrophobicContact CD1-CD1 3.93Å; L1373-L1406 HydrophobicContact CG-CD1 4.37Å; L1373-L1406 PolarHBondContact O-N 3.2Å |
| 1374 | V | 59.3 | Low | 66.3 | Low | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.7 | 179.5 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | M1261 V1262 F1263 V1264 I1403 | M1261-V1374 HydrophobicContact CB-CG2 3.97Å; M1261-V1374 HydrophobicContact CG-CG2 4.27Å; M1261-V1374 HydrophobicContact SD-CG2 4.05Å; V1262-V1374 PolarHBondContact O-N 3.19Å; F1263-V1374 CarbonylContact C-O 3.44Å; F1263-V1374 WeakPolarHBondContact CA-O 3.41Å; F1263-V1374 HydrophobicContact CD1-CB 4.03Å; F1263-V1374 HydrophobicContact CD1-CG1 3.74Å; F1263-V1374 HydrophobicContact CE1-CB 4.12Å; F1263-V1374 HydrophobicContact CE1-CG1 3.46Å; F1263-V1374 VanDerWaalsContact CE1-CG1 3.46Å; F1263-V1374 HydrophobicContact CG-CB 4.49Å; F1263-V1374 HydrophobicContact CZ-CG1 4.15Å; V1264-V1374 PolarHBondContact N-O 2.98Å; V1374-I1403 HydrophobicContact CB-CG2 4.45Å; V1374-I1403 HydrophobicContact CG1-CG2 3.65Å; V1374-I1403 HydrophobicContact CG2-CG2 3.9Å |
| 1375 | K | 51.8 | Low | 65.6 | Low | 139 Ų | 139 | 48.3 Ų | 48.3 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -38.6 | -179.1 | -164.2 | 177.3 | -179.3 | -177.4 | 0 | 112.9 | I1404 | K1375-I1404 HydrophobicContact CB-CB 4.03Å; K1375-I1404 HydrophobicContact CB-CG2 3.8Å; K1375-I1404 HydrophobicContact CD-CG2 4.28Å; K1375-I1404 PolarHBondContact N-O 3.25Å |
| 1376 | A | 51.1 | Low | 65.3 | Low | 35 Ų | 35 | 50.9 Ų | 50.9 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.3 | 164.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I1404 | A1376-I1404 HydrophobicContact CB-CD1 4.13Å; A1376-I1404 PolarHBondContact O-N 2.95Å |
| 1377 | V | 60.3 | Low | 65.4 | Low | 26 Ų | 26 | 50.3 Ų | 50.3 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 132.2 | 156.6 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | F1263 L1401 E1402 I1403 W1449 L1452 I1510 | F1263-V1377 HydrophobicContact CE1-CG2 4.11Å; F1263-V1377 HydrophobicContact CZ-CG2 4.03Å; V1377-L1401 HydrophobicContact CG1-CD2 3.91Å; V1377-E1402 WeakPolarHBondContact CA-O 3.41Å; V1377-I1403 HydrophobicContact CG2-CG1 4.35Å; V1377-W1449 HydrophobicContact CG1-CZ3 4.48Å; V1377-L1452 HydrophobicContact CG2-CD1 4.24Å; V1377-I1510 HydrophobicContact CG1-CD1 4.17Å |
| 1378 | H | 59.5 | Low | 65.7 | Low | 68 Ų | 68 | 54.7 Ų | 54.7 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 167.3 | -175.4 | 77.1 | -58.3 | 0 | 0 | 0 | 112.3 | S1380 L1401 E1402 | H1378-S1380 PolarHBondContact O-N 3.05Å; H1378-L1401 CarbonylContact O-C 3.51Å; H1378-L1401 WeakPolarHBondContact O-CA 3.26Å; H1378-E1402 IonicContact CE1-OE2 2.74Å; H1378-E1402 PolarHBondContact N-O 3.46Å; H1378-E1402 VanDerWaalsContact N-O 3.1Å; H1378-E1402 PolarHBondContact ND1-O 3.43Å; H1378-E1402 VanDerWaalsContact ND1-O 3.16Å; H1378-E1402 PolarHBondContact O-N 3.42Å |
| 1379 | F | 71.9 | Confident | 65.9 | Low | 24 Ų | 24 | 53.1 Ų | 53.1 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 94.1 | 171.1 | -66.9 | -72.6 | 0 | 0 | 0 | 111.1 | K1381 E1382 C1399 C1400 L1401 V1503 I1510 Q1511 T1512 | F1379-K1381 PolarHBondContact O-N 2.97Å; F1379-E1382 HydrophobicContact CB-CG 3.7Å; F1379-E1382 HydrophobicContact CG-CG 4.43Å; F1379-C1399 HydrophobicContact CD1-CB 4Å; F1379-C1399 HydrophobicContact CE1-CB 4.21Å; F1379-C1400 CarbonylContact C-O 3.47Å; F1379-C1400 WeakPolarHBondContact CA-O 3.09Å; F1379-L1401 HydrophobicContact CD1-CD2 4.23Å; F1379-L1401 HydrophobicContact CD1-CG 4.39Å; F1379-L1401 HydrophobicContact CE1-CD2 3.97Å; F1379-L1401 HydrophobicContact CE1-CG 4.17Å; F1379-L1401 HydrophobicContact CZ-CD2 4.41Å; F1379-V1503 HydrophobicContact CE1-CG2 3.98Å; F1379-V1503 HydrophobicContact CZ-CB 4.27Å; F1379-V1503 HydrophobicContact CZ-CG2 3.71Å; F1379-I1510 HydrophobicContact CD2-CB 4.41Å; F1379-I1510 HydrophobicContact CD2-CD1 4.17Å; F1379-I1510 HydrophobicContact CD2-CG1 4.33Å; F1379-I1510 HydrophobicContact CE2-CB 3.87Å; F1379-I1510 HydrophobicContact CE2-CD1 3.92Å; F1379-I1510 HydrophobicContact CE2-CG1 3.67Å; F1379-I1510 HydrophobicContact CZ-CD1 4.28Å; F1379-I1510 HydrophobicContact CZ-CG1 4.06Å; F1379-Q1511 VanDerWaalsContact CE2-C 3.46Å; F1379-T1512 HydrophobicContact CD1-CG2 3.86Å; F1379-T1512 HydrophobicContact CD2-CG2 4.03Å; F1379-T1512 HydrophobicContact CE1-CG2 3.63Å; F1379-T1512 HydrophobicContact CE2-CG2 3.82Å; F1379-T1512 HydrophobicContact CG-CG2 4.06Å; F1379-T1512 HydrophobicContact CZ-CG2 3.61Å |
| 1380 | S | 62.6 | Low | 66.4 | Low | 35 Ų | 35 | 55.1 Ų | 55.1 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | -20.9 | 165.2 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | H1378 C1400 E1402 K2011 | H1378-S1380 PolarHBondContact O-N 3.05Å; S1380-C1400 PolarHBondContact N-O 2.9Å; S1380-C1400 VanDerWaalsContact OG-CB 3.28Å; S1380-C1400 WeakPolarHBondContact OG-CB 3.45Å; S1380-C1400 PolarHBondContact OG-O 3.23Å; S1380-E1402 WeakPolarHBondContact CB-OE2 3.25Å; S1380-K2011 WeakPolarHBondContact OG-CE 3.38Å; S1380-K2011 PolarHBondContact OG-NZ 3.09Å |
| 1381 | K | 69.8 | Low | 66.6 | Low | 124 Ų | 124 | 59.2 Ų | 59.2 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 119.6 | 168.2 | -172.8 | 173.2 | -178.1 | 169.9 | 0 | 108.6 | F1379 C1399 C1400 | F1379-K1381 PolarHBondContact O-N 2.97Å; K1381-C1399 CarbonylContact O-C 3.52Å; K1381-C1399 WeakPolarHBondContact O-CA 3.35Å; K1381-C1399 VanDerWaalsContact O-CB 3.25Å; K1381-C1399 WeakPolarHBondContact O-CB 3.33Å; K1381-C1400 HydrophobicContact CB-CB 3.68Å; K1381-C1400 PolarHBondContact N-O 3.3Å; K1381-C1400 PolarHBondContact O-N 2.98Å |
| 1382 | E | 75.9 | Confident | 66.3 | Low | 117 Ų | 117 | 60 Ų | 60 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 170.9 | 175.7 | -74.1 | -158.2 | -137.9 | 0 | 0 | 112.3 | F1379 T1512 | F1379-E1382 HydrophobicContact CB-CG 3.7Å; F1379-E1382 HydrophobicContact CG-CG 4.43Å; E1382-T1512 WeakPolarHBondContact CA-OG1 3.23Å; E1382-T1512 WeakPolarHBondContact CB-OG1 3.46Å; E1382-T1512 WeakPolarHBondContact CG-OG1 3.5Å; E1382-T1512 PolarHBondContact OE2-OG1 2.9Å |
| 1383 | L | 82.6 | Confident | 66.8 | Low | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 151.3 | 172.5 | -61.8 | 177.7 | 0 | 0 | 0 | 110.8 | T1385 M1397 C1399 W1458 C1501 T1512 | L1383-T1385 PolarHBondContact O-N 3.35Å; L1383-M1397 HydrophobicContact CB-CE 4.28Å; L1383-M1397 HydrophobicContact CD1-CE 4.39Å; L1383-M1397 HydrophobicContact CD2-CB 4.18Å; L1383-C1399 HydrophobicContact CD2-CB 3.74Å; L1383-C1399 HydrophobicContact CG-CB 4.12Å; L1383-W1458 HydrophobicContact CD1-CH2 4.34Å; L1383-W1458 HydrophobicContact CD1-CZ3 3.81Å; L1383-W1458 HydrophobicContact CD2-CH2 3.82Å; L1383-W1458 HydrophobicContact CD2-CZ3 4.06Å; L1383-C1501 HydrophobicContact CD1-CB 4.16Å; L1383-T1512 HydrophobicContact CD1-CG2 4.13Å; L1383-T1512 HydrophobicContact CG-CG2 3.82Å; L1383-T1512 PolarHBondContact N-OG1 2.77Å; L1383-T1512 VanDerWaalsContact N-OG1 3.08Å |
| 1384 | P | 68.3 | Low | 67.4 | Low | 49 Ų | 49 | 65.1 Ų | 65.1 | 32% | 0.318 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 119.8 | 174.9 | 27.6 | -33.4 | 0 | 0 | 0 | 110.2 | L1386 L1387 M1397 G1514 K1515 | P1384-L1386 PolarHBondContact O-N 3.41Å; P1384-L1386 VanDerWaalsContact O-N 3.14Å; P1384-L1387 HydrophobicContact CG-CB 4.29Å; P1384-L1387 HydrophobicContact CG-CD1 4.48Å; P1384-M1397 HydrophobicContact CG-CE 4.33Å; P1384-G1514 CarbonylContact O-C 3.56Å; P1384-G1514 WeakPolarHBondContact O-CA 3.36Å; P1384-K1515 PolarHBondContact O-N 2.86Å |
| 1385 | T | 60.2 | Low | 68.3 | Low | 124 Ų | 124 | 65.4 Ų | 65.4 | 76% | 0.761 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -53.6 | -35.7 | -177.9 | 43.9 | 0 | 0 | 0 | 0 | 113.1 | L1383 K1515 | L1383-T1385 PolarHBondContact O-N 3.35Å; T1385-K1515 VanDerWaalsContact O-CB 3.31Å; T1385-K1515 WeakPolarHBondContact O-CB 3.42Å; T1385-K1515 PolarHBondContact O-N 3.05Å; T1385-K1515 VanDerWaalsContact O-N 3.11Å |
| 1386 | L | 68.7 | Low | 69.6 | Low | 84 Ų | 84 | 64.1 Ų | 64.1 | 44% | 0.44 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 136.5 | 167.4 | 177.8 | 62.1 | 0 | 0 | 0 | 110 | P1384 E1388 K1515 I1517 | P1384-L1386 PolarHBondContact O-N 3.41Å; P1384-L1386 VanDerWaalsContact O-N 3.14Å; L1386-E1388 HydrophobicContact CD2-CG 4.38Å; L1386-E1388 HydrophobicContact CG-CG 4.38Å; L1386-K1515 CarbonylContact C-O 3.53Å; L1386-K1515 HydrophobicContact CD1-CB 4.4Å; L1386-K1515 HydrophobicContact CD1-CD 4.48Å; L1386-I1517 HydrophobicContact CD1-CB 3.93Å; L1386-I1517 HydrophobicContact CD1-CD1 3.58Å; L1386-I1517 HydrophobicContact CD1-CG1 3.58Å |
| 1387 | L | 74.9 | Confident | 71.2 | Confident | 51 Ų | 51 | 62.5 Ų | 62.5 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 108.3 | 173.2 | -170.3 | 68.9 | 0 | 0 | 0 | 108.1 | P1384 V1389 T1395 M1397 K1515 I1516 I1517 | P1384-L1387 HydrophobicContact CG-CB 4.29Å; P1384-L1387 HydrophobicContact CG-CD1 4.48Å; L1387-V1389 HydrophobicContact CD2-CG2 4.13Å; L1387-V1389 HydrophobicContact CG-CG2 3.88Å; L1387-T1395 HydrophobicContact CD2-CG2 3.58Å; L1387-M1397 HydrophobicContact CD2-CG 4.3Å; L1387-K1515 PolarHBondContact N-O 3.24Å; L1387-I1516 WeakPolarHBondContact O-CA 3.44Å; L1387-I1517 PolarHBondContact O-N 2.83Å |
| 1388 | E | 72.8 | Confident | 72.1 | Confident | 111 Ų | 111 | 63.1 Ų | 63.1 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 123.2 | 175.6 | -68.2 | -165.7 | 166 | 0 | 0 | 111.2 | L1386 I1517 K1519 | L1386-E1388 HydrophobicContact CD2-CG 4.38Å; L1386-E1388 HydrophobicContact CG-CG 4.38Å; E1388-I1517 WeakPolarHBondContact CA-O 3.39Å; E1388-K1519 HydrophobicContact CB-CD 4.38Å; E1388-K1519 VanDerWaalsContact CB-CE 3.45Å; E1388-K1519 HydrophobicContact CB-CG 3.96Å; E1388-K1519 VanDerWaalsContact OE2-CE 3.3Å; E1388-K1519 WeakPolarHBondContact OE2-CE 3.27Å |
| 1389 | V | 70.5 | Confident | 73.2 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.03 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.3 | -169.7 | -173.1 | 0 | 0 | 0 | 0 | 110 | L1387 D1393 T1395 V1491 I1516 I1517 L1518 K1519 | L1387-V1389 HydrophobicContact CD2-CG2 4.13Å; L1387-V1389 HydrophobicContact CG-CG2 3.88Å; V1389-D1393 HydrophobicContact CG1-CB 3.71Å; V1389-T1395 VanDerWaalsContact CG1-OG1 3.24Å; V1389-T1395 WeakPolarHBondContact CG1-OG1 3.34Å; V1389-T1395 HydrophobicContact CG2-CG2 4.39Å; V1389-V1491 HydrophobicContact CB-CG1 4.13Å; V1389-V1491 HydrophobicContact CG1-CB 3.73Å; V1389-V1491 HydrophobicContact CG1-CG1 3.78Å; V1389-V1491 HydrophobicContact CG1-CG2 3.96Å; V1389-I1516 HydrophobicContact CB-CG2 4.31Å; V1389-I1516 HydrophobicContact CG2-CG2 3.98Å; V1389-I1517 PolarHBondContact N-O 3.47Å; V1389-L1518 CarbonylContact O-C 3.52Å; V1389-L1518 VanDerWaalsContact O-CA 3.28Å; V1389-L1518 WeakPolarHBondContact O-CA 3.36Å; V1389-K1519 PolarHBondContact O-N 3.17Å |
| 1390 | S | 72 | Confident | 73.5 | Confident | 49 Ų | 49 | 59.5 Ų | 59.5 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | trans | -79.3 | 149.9 | 175.7 | -23.9 | 0 | 0 | 0 | 0 | 110.4 | G1392 D1393 | S1390-G1392 PolarHBondContact O-N 2.78Å; S1390-D1393 WeakPolarHBondContact CA-OD2 3.26Å; S1390-D1393 WeakPolarHBondContact CB-OD1 3.46Å; S1390-D1393 WeakPolarHBondContact CB-OD2 3.34Å; S1390-D1393 PolarHBondContact N-OD2 3.46Å; S1390-D1393 PolarHBondContact O-N 3.3Å; S1390-D1393 PolarHBondContact OG-OD2 2.85Å | ||
| 1391 | K | 69.2 | Low | 74.1 | Confident | 130 Ų | 130 | 57.9 Ų | 57.9 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 97.6 | 178.3 | -177.4 | -172.9 | 173.5 | -175.8 | 0 | 110.2 | V1491 L1518 K1737 | K1391-V1491 CarbonylContact C-O 3.55Å; K1391-V1491 WeakPolarHBondContact CA-O 3.3Å; K1391-L1518 HydrophobicContact CB-CD2 3.92Å; K1391-K1737 PolarHBondContact O-NZ 3.15Å |
| 1392 | G | 65.7 | Low | 73.8 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 138.1 | -23.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1390 N1490 V1491 | S1390-G1392 PolarHBondContact O-N 2.78Å; G1392-N1490 WeakPolarHBondContact CA-OD1 3.39Å; G1392-V1491 PolarHBondContact N-O 2.61Å |
| 1393 | D | 72.5 | Confident | 73 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 34% | 0.342 | 28% | 0.276 | S | S | . | . | trans | -77 | 140.7 | -165.7 | -53 | -14 | 0 | 0 | 0 | 111.4 | V1389 S1390 V1491 | V1389-D1393 HydrophobicContact CG1-CB 3.71Å; S1390-D1393 WeakPolarHBondContact CA-OD2 3.26Å; S1390-D1393 WeakPolarHBondContact CB-OD1 3.46Å; S1390-D1393 WeakPolarHBondContact CB-OD2 3.34Å; S1390-D1393 PolarHBondContact N-OD2 3.46Å; S1390-D1393 PolarHBondContact O-N 3.3Å; S1390-D1393 PolarHBondContact OG-OD2 2.85Å; D1393-V1491 WeakPolarHBondContact O-CB 3.19Å; D1393-V1491 WeakPolarHBondContact O-CG2 3.34Å; D1393-V1491 PolarHBondContact O-N 3.24Å; D1393-V1491 VanDerWaalsContact O-N 3.07Å | ||
| 1394 | P | 75 | Confident | 71.6 | Confident | 103 Ų | 103 | 53 Ų | 53 | 67% | 0.669 | 29% | 0.289 | S | S | * | . | trans | -71.5 | 128.5 | 170.6 | 29.8 | -33.3 | 0 | 0 | 0 | 109.8 | I1488 | P1394-I1488 CarbonylContact C-O 3.57Å; P1394-I1488 WeakPolarHBondContact CA-O 3.39Å | ||
| 1395 | T | 78.5 | Confident | 70.3 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 138.7 | -172.8 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | L1387 V1389 M1397 S1487 I1488 V1491 I1516 | L1387-T1395 HydrophobicContact CD2-CG2 3.58Å; V1389-T1395 VanDerWaalsContact CG1-OG1 3.24Å; V1389-T1395 WeakPolarHBondContact CG1-OG1 3.34Å; V1389-T1395 HydrophobicContact CG2-CG2 4.39Å; T1395-M1397 HydrophobicContact CG2-CG 4.42Å; T1395-S1487 CarbonylContact O-C 3.57Å; T1395-S1487 WeakPolarHBondContact O-CA 3.48Å; T1395-I1488 PolarHBondContact N-O 3.46Å; T1395-I1488 PolarHBondContact O-N 2.75Å; T1395-V1491 HydrophobicContact CG2-CG2 4.42Å; T1395-V1491 WeakPolarHBondContact OG1-CG2 3.27Å; T1395-I1516 HydrophobicContact CG2-CD1 3.76Å |
| 1396 | K | 79.9 | Confident | 69.4 | Low | 112 Ų | 112 | 49.4 Ų | 49.4 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.2 | 173.8 | -61.2 | -172.7 | 178.8 | 167.5 | 0 | 110.9 | L1486 | K1396-L1486 CarbonylContact C-O 3.57Å; K1396-L1486 WeakPolarHBondContact CA-O 3.25Å |
| 1397 | M | 83.3 | Confident | 67.8 | Low | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 107.6 | 174.6 | -65.6 | -170.1 | 76.6 | 0 | 0 | 108 | L1383 P1384 L1387 T1395 W1458 T1485 L1486 Y1499 I1516 | L1383-M1397 HydrophobicContact CB-CE 4.28Å; L1383-M1397 HydrophobicContact CD1-CE 4.39Å; L1383-M1397 HydrophobicContact CD2-CB 4.18Å; P1384-M1397 HydrophobicContact CG-CE 4.33Å; L1387-M1397 HydrophobicContact CD2-CG 4.3Å; T1395-M1397 HydrophobicContact CG2-CG 4.42Å; M1397-W1458 WeakPolarHBondContact O-CH2 3.39Å; M1397-T1485 WeakPolarHBondContact O-CA 3.36Å; M1397-L1486 HydrophobicContact CB-CB 4.45Å; M1397-L1486 PolarHBondContact N-O 2.87Å; M1397-L1486 PolarHBondContact O-N 3Å; M1397-Y1499 HydrophobicContact CE-CG 4.46Å; M1397-Y1499 HydrophobicContact SD-CD1 4.39Å; M1397-Y1499 HydrophobicContact SD-CD2 3.8Å; M1397-Y1499 HydrophobicContact SD-CE2 4.4Å; M1397-Y1499 HydrophobicContact SD-CG 3.8Å; M1397-I1516 HydrophobicContact SD-CD1 3.87Å; M1397-I1516 HydrophobicContact SD-CG1 3.77Å |
| 1398 | T | 79.8 | Confident | 65.5 | Low | 40 Ų | 40 | 57.1 Ų | 57.1 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.2 | -178.5 | -61.9 | 0 | 0 | 0 | 0 | 110.2 | L1483 A1484 T1485 | T1398-L1483 HydrophobicContact CG2-CD2 3.73Å; T1398-A1484 WeakPolarHBondContact CA-O 3.22Å; T1398-T1485 VanDerWaalsContact CG2-OG1 3.3Å; T1398-T1485 WeakPolarHBondContact CG2-OG1 3.35Å; T1398-T1485 VanDerWaalsContact OG1-CG2 3.29Å; T1398-T1485 WeakPolarHBondContact OG1-CG2 3.32Å; T1398-T1485 PolarHBondContact OG1-OG1 3.09Å |
| 1399 | C | 82.1 | Confident | 63.3 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 151.6 | 165.8 | 59 | 0 | 0 | 0 | 0 | 110.1 | F1379 K1381 L1383 A1484 T1512 | F1379-C1399 HydrophobicContact CD1-CB 4Å; F1379-C1399 HydrophobicContact CE1-CB 4.21Å; K1381-C1399 CarbonylContact O-C 3.52Å; K1381-C1399 WeakPolarHBondContact O-CA 3.35Å; K1381-C1399 VanDerWaalsContact O-CB 3.25Å; K1381-C1399 WeakPolarHBondContact O-CB 3.33Å; L1383-C1399 HydrophobicContact CD2-CB 3.74Å; L1383-C1399 HydrophobicContact CG-CB 4.12Å; C1399-A1484 PolarHBondContact N-O 2.87Å; C1399-A1484 PolarHBondContact O-N 2.91Å; C1399-T1512 HydrophobicContact CB-CG2 3.9Å |
| 1400 | C | 79.4 | Confident | 61.3 | Low | 16 Ų | 16 | 67.2 Ų | 67.2 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.8 | -175.3 | -57.4 | 0 | 0 | 0 | 0 | 110 | F1379 S1380 K1381 L1483 | F1379-C1400 CarbonylContact C-O 3.47Å; F1379-C1400 WeakPolarHBondContact CA-O 3.09Å; S1380-C1400 PolarHBondContact N-O 2.9Å; S1380-C1400 VanDerWaalsContact OG-CB 3.28Å; S1380-C1400 WeakPolarHBondContact OG-CB 3.45Å; S1380-C1400 PolarHBondContact OG-O 3.23Å; K1381-C1400 HydrophobicContact CB-CB 3.68Å; K1381-C1400 PolarHBondContact N-O 3.3Å; K1381-C1400 PolarHBondContact O-N 2.98Å; C1400-L1483 WeakPolarHBondContact SG-CD2 3.33Å |
| 1401 | L | 75.5 | Confident | 59.1 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 147.8 | 168.6 | -71.4 | 153.2 | 0 | 0 | 0 | 110.9 | V1377 H1378 F1379 W1449 L1454 I1456 F1479 G1482 V1503 I1510 K2011 | V1377-L1401 HydrophobicContact CG1-CD2 3.91Å; H1378-L1401 CarbonylContact O-C 3.51Å; H1378-L1401 WeakPolarHBondContact O-CA 3.26Å; F1379-L1401 HydrophobicContact CD1-CD2 4.23Å; F1379-L1401 HydrophobicContact CD1-CG 4.39Å; F1379-L1401 HydrophobicContact CE1-CD2 3.97Å; F1379-L1401 HydrophobicContact CE1-CG 4.17Å; F1379-L1401 HydrophobicContact CZ-CD2 4.41Å; L1401-W1449 HydrophobicContact CB-CH2 3.54Å; L1401-W1449 HydrophobicContact CB-CZ2 4.48Å; L1401-W1449 HydrophobicContact CB-CZ3 3.73Å; L1401-L1454 HydrophobicContact CD1-CD1 4.46Å; L1401-I1456 HydrophobicContact CD1-CD1 3.99Å; L1401-F1479 HydrophobicContact CD1-CD2 4.43Å; L1401-F1479 HydrophobicContact CD1-CE2 3.62Å; L1401-F1479 HydrophobicContact CD1-CZ 4.18Å; L1401-G1482 WeakPolarHBondContact CB-O 3.36Å; L1401-G1482 PolarHBondContact N-O 3.1Å; L1401-V1503 HydrophobicContact CD1-CG1 3.96Å; L1401-V1503 HydrophobicContact CD1-CG2 3.9Å; L1401-V1503 HydrophobicContact CD2-CB 4.19Å; L1401-V1503 HydrophobicContact CD2-CG1 3.87Å; L1401-V1503 HydrophobicContact CD2-CG2 4.06Å; L1401-V1503 HydrophobicContact CG-CG2 4.37Å; L1401-I1510 HydrophobicContact CD2-CD1 3.6Å; L1401-K2011 PolarHBondContact O-NZ 3.49Å |
| 1402 | E | 63.5 | Low | 57.1 | Low | 49 Ų | 49 | 72.7 Ų | 72.7 | 23% | 0.229 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 128 | 173.1 | -178.2 | 150.5 | -119.9 | 0 | 0 | 111.6 | V1377 H1378 S1380 K2011 | V1377-E1402 WeakPolarHBondContact CA-O 3.41Å; H1378-E1402 IonicContact CE1-OE2 2.74Å; H1378-E1402 PolarHBondContact N-O 3.46Å; H1378-E1402 VanDerWaalsContact N-O 3.1Å; H1378-E1402 PolarHBondContact ND1-O 3.43Å; H1378-E1402 VanDerWaalsContact ND1-O 3.16Å; H1378-E1402 PolarHBondContact O-N 3.42Å; S1380-E1402 WeakPolarHBondContact CB-OE2 3.25Å; E1402-K2011 WeakPolarHBondContact OE1-CE 3.05Å; E1402-K2011 VanDerWaalsContact OE1-CG 3.26Å; E1402-K2011 WeakPolarHBondContact OE1-CG 3.39Å; E1402-K2011 WeakPolarHBondContact OE2-CE 3.43Å |
| 1403 | I | 59.5 | Low | 55 | Low | 35 Ų | 35 | 79.9 Ų | 79.9 | 18% | 0.179 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 113.6 | 171.9 | -55.9 | 166.9 | 0 | 0 | 0 | 106.6 | V1374 V1377 S1405 H1448 W1449 L1452 | V1374-I1403 HydrophobicContact CB-CG2 4.45Å; V1374-I1403 HydrophobicContact CG1-CG2 3.65Å; V1374-I1403 HydrophobicContact CG2-CG2 3.9Å; V1377-I1403 HydrophobicContact CG2-CG1 4.35Å; I1403-S1405 PolarHBondContact O-N 2.95Å; I1403-H1448 HydrophobicContact CD1-CB 4.11Å; I1403-W1449 HydrophobicContact CD1-CD2 4.15Å; I1403-W1449 HydrophobicContact CD1-CE3 3.99Å; I1403-W1449 HydrophobicContact CD1-CH2 4.08Å; I1403-W1449 HydrophobicContact CD1-CZ2 4.2Å; I1403-W1449 HydrophobicContact CD1-CZ3 3.96Å; I1403-W1449 HydrophobicContact CG1-CE3 4.18Å; I1403-W1449 HydrophobicContact CG1-CH2 3.64Å; I1403-W1449 HydrophobicContact CG1-CZ2 4.17Å; I1403-W1449 HydrophobicContact CG1-CZ3 3.64Å; I1403-L1452 HydrophobicContact CD1-CD1 3.57Å; I1403-L1452 HydrophobicContact CG1-CD1 3.83Å |
| 1404 | I | 51.7 | Low | 53 | Low | 63 Ų | 63 | 81 Ų | 81 | 32% | 0.323 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 94.8 | 174.6 | -52 | -176.9 | 0 | 0 | 0 | 107.9 | K1375 A1376 | K1375-I1404 HydrophobicContact CB-CB 4.03Å; K1375-I1404 HydrophobicContact CB-CG2 3.8Å; K1375-I1404 HydrophobicContact CD-CG2 4.28Å; K1375-I1404 PolarHBondContact N-O 3.25Å; A1376-I1404 HydrophobicContact CB-CD1 4.13Å; A1376-I1404 PolarHBondContact O-N 2.95Å |
| 1405 | S | 42.7 | Very low | 50.6 | Low | 72 Ų | 72 | 81.5 Ų | 81.5 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 154.8 | 168.7 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | I1403 Q1407 | I1403-S1405 PolarHBondContact O-N 2.95Å; S1405-Q1407 PolarHBondContact OG-N 3.37Å |
| 1406 | L | 40 | Very low | 48.1 | Very low | 26 Ų | 26 | 86.8 Ų | 86.8 | 14% | 0.136 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -80.3 | -17.7 | 175.6 | -111.1 | 164.6 | 0 | 0 | 0 | 114 | V1264 N1348 L1373 D1408 | V1264-L1406 HydrophobicContact CG2-CD1 3.52Å; V1264-L1406 HydrophobicContact CG2-CG 4.44Å; N1348-L1406 HydrophobicContact CB-CD1 4Å; N1348-L1406 HydrophobicContact CB-CD2 4.04Å; L1373-L1406 HydrophobicContact CB-CB 4.49Å; L1373-L1406 HydrophobicContact CB-CD1 3.52Å; L1373-L1406 HydrophobicContact CD1-CD1 3.93Å; L1373-L1406 HydrophobicContact CG-CD1 4.37Å; L1373-L1406 PolarHBondContact O-N 3.2Å; L1406-D1408 VanDerWaalsContact C-N 3.33Å; L1406-D1408 PolarHBondContact O-N 3.3Å |
| 1407 | Q | 34.5 | Very low | 45.5 | Very low | 139 Ų | 139 | 88.3 Ų | 88.3 | 65% | 0.65 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | 69.4 | -179.8 | -63.1 | -173.3 | 7.1 | 0 | 0 | 112.7 | E1351 S1405 | E1351-Q1407 PolarHBondContact OE1-NE2 3.02Å; S1405-Q1407 PolarHBondContact OG-N 3.37Å |
| 1408 | D | 28.1 | Very low | 42.7 | Very low | 157 Ų | 157 | 94.2 Ų | 94.2 | 84% | 0.84 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -171.2 | 37.8 | 146.6 | -105.5 | -19.1 | 0 | 0 | 0 | 112.4 | L1406 | L1406-D1408 VanDerWaalsContact C-N 3.33Å; L1406-D1408 PolarHBondContact O-N 3.3Å |
| 1409 | N | 26.8 | Very low | 40.1 | Very low | 149 Ų | 149 | 100.8 Ų | 100.8 | 80% | 0.797 | 53% | 0.527 | S | S | * | . | trans | -151.4 | 63.9 | 179.3 | -106.7 | -75.9 | 0 | 0 | 0 | 114 | ||||
| 1410 | K | 28.4 | Very low | 37.3 | Very low | 180 Ų | 180 | 106.6 Ų | 106.6 | 78% | 0.783 | 56% | 0.563 | S | S | * | * | trans | -169.4 | 91.3 | 152.8 | -112.1 | 170.7 | -174.6 | -175.3 | 0 | 112.9 | ||||
| 1411 | I | 24.9 | Very low | 34.6 | Very low | 162 Ų | 162 | 110.5 Ų | 110.5 | 83% | 0.831 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -108.2 | 105.5 | 149 | -73 | -175.4 | 0 | 0 | 0 | 107.4 | ||
| 1412 | I | 27.1 | Very low | 32.2 | Very low | 132 Ų | 132 | 117.2 Ų | 117.2 | 68% | 0.677 | 63% | 0.626 | S | S | * | * | trans | 58.9 | 85.9 | 151.9 | -52.9 | 171.9 | 0 | 0 | 0 | 115.9 | ||||
| 1413 | D | 22.9 | Very low | 30.4 | Very low | 169 Ų | 169 | 120.3 Ų | 120.3 | 90% | 0.904 | 65% | 0.645 | S | S | * | * | -98.2 | 106.4 | 123.4 | -113.2 | -37.6 | 0 | 0 | 0 | 106.6 | |||||
| 1414 | S | 30.1 | Very low | 28.7 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | trans | -152.3 | 101.5 | 172.1 | 70.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1415 | V | 24.9 | Very low | 27.5 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | trans | -83.4 | 154.6 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1416 | N | 24.3 | Very low | 26.7 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 65% | 0.647 | 71% | 0.711 | S | S | * | * | trans | 73.8 | 145.2 | -176.9 | -42 | -67 | 0 | 0 | 0 | 113.6 | ||||
| 1417 | I | 25.9 | Very low | 26 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | cis | -145.1 | 142.2 | 27.7 | -73 | 174.4 | 0 | 0 | 0 | 111.4 | ||||
| 1418 | N | 25.6 | Very low | 26.3 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | trans | 53.4 | 105.4 | 159.2 | -66.7 | -28.3 | 0 | 0 | 0 | 121.2 | ||||
| 1419 | K | 23.4 | Very low | 26.3 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | 49.6 | 130.6 | 107.1 | -70.4 | 179.9 | 177 | 171.5 | 0 | 121.3 | |||||
| 1420 | T | 23.6 | Very low | 26.2 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | 68.7 | 92.7 | 140.7 | 54.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1421 | S | 23.4 | Very low | 26.1 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | 84.5 | 136.9 | 109.8 | 71.2 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1422 | N | 25 | Very low | 26.1 | Very low | 141 Ų | 141 | 130.1 Ų | 130.1 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | 85.6 | 128.2 | 151.6 | -64.7 | 3.7 | 0 | 0 | 0 | 119.6 | ||||
| 1423 | D | 25.1 | Very low | 26.1 | Very low | 114 Ų | 114 | 129 Ų | 129 | 61% | 0.61 | 74% | 0.74 | S | S | * | * | trans | 53.4 | 104.6 | 143.7 | -63.9 | -56.4 | 0 | 0 | 0 | 118.5 | ||||
| 1424 | R | 24.9 | Very low | 26.2 | Very low | 213 Ų | 213 | 125.7 Ų | 125.7 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | 77.8 | 147.1 | 80.1 | -78.8 | -176 | -176.4 | 173.2 | -2.9 | 113.1 | |||||
| 1425 | N | 25.4 | Very low | 26.2 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 85.5 | 126.9 | 158.6 | -60.1 | -23.6 | 0 | 0 | 0 | 119.6 | ||||
| 1426 | I | 25.8 | Very low | 26.4 | Very low | 164 Ų | 164 | 128 Ų | 128 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | 90.4 | 140.4 | 146.3 | -65.3 | 156.4 | 0 | 0 | 0 | 118.1 | ||||
| 1427 | S | 26.4 | Very low | 26.9 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | -110.7 | -166.5 | -163.7 | -30 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1428 | P | 40.6 | Very low | 26.9 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -110.3 | 176.5 | -139.1 | 44.1 | -40.3 | 0 | 0 | 0 | 116.3 | ||||
| 1429 | P | 27.2 | Very low | 26.9 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | -110.7 | 172.5 | 154.2 | 36.8 | -26.2 | 0 | 0 | 0 | 113.3 | ||||
| 1430 | S | 26 | Very low | 26.8 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -122.2 | -178.3 | -168.3 | 61 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1431 | S | 25.3 | Very low | 26.9 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | 69.3 | 150.3 | 161.3 | 24.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1432 | S | 25.3 | Very low | 26.9 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | cis | -169.9 | 166.7 | -8.1 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1433 | S | 26.8 | Very low | 26.8 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | 75.4 | 149.9 | 156.5 | 77.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1434 | S | 26.2 | Very low | 26.9 | Very low | 99 Ų | 99 | 126 Ų | 126 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | cis | -176.2 | 139.5 | -29.7 | 52 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1435 | V | 29 | Very low | 26.9 | Very low | 135 Ų | 135 | 122.4 Ų | 122.4 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | 68.5 | 155.1 | 146.2 | 170 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1436 | P | 29.2 | Very low | 27 | Very low | 113 Ų | 113 | 119 Ų | 119 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | cis | -115.9 | 171.1 | -4.2 | 20.1 | 2.9 | 0 | 0 | 0 | 115.8 | ||||
| 1437 | P | 35.5 | Very low | 27.4 | Very low | 119 Ų | 119 | 114 Ų | 114 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -98.6 | 161.7 | 174.9 | 38.7 | -34.5 | 0 | 0 | 0 | 114.2 | ||||
| 1438 | L | 25.2 | Very low | 28.2 | Very low | 163 Ų | 163 | 114.4 Ų | 114.4 | 85% | 0.853 | 70% | 0.696 | S | S | * | * | trans | -161.2 | 142.1 | 160.8 | -114.5 | 162.6 | 0 | 0 | 0 | 113.2 | ||||
| 1439 | S | 25.1 | Very low | 28.8 | Very low | 93 Ų | 93 | 110.1 Ų | 110.1 | 65% | 0.65 | 67% | 0.665 | S | S | * | * | trans | 43.5 | 105.8 | 159.8 | 59 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1440 | Q | 22.6 | Very low | 29.6 | Very low | 192 Ų | 192 | 109 Ų | 109 | 90% | 0.897 | 65% | 0.652 | S | S | * | * | trans | 21.1 | 120.9 | 133.6 | -65.3 | 172.9 | -19.4 | 0 | 0 | 119 | ||||
| 1441 | L | 24.9 | Very low | 30.6 | Very low | 87 Ų | 87 | 108.5 Ų | 108.5 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | trans | -123.6 | 142.9 | 155.4 | -78.2 | 171 | 0 | 0 | 0 | 110.4 | N1255 | N1255-L1441 HydrophobicContact CB-CD2 3.64Š| ||
| 1442 | P | 23.4 | Very low | 31.9 | Very low | 106 Ų | 106 | 104.3 Ų | 104.3 | 69% | 0.688 | 61% | 0.607 | S | S | * | * | trans | -74.7 | 137.5 | -169.2 | 29.5 | -34.8 | 0 | 0 | 0 | 112 | P1444 | P1442-P1444 WeakPolarHBondContact O-CD 3.36Š| ||
| 1443 | I | 23.8 | Very low | 33.4 | Very low | 144 Ų | 144 | 103.8 Ų | 103.8 | 74% | 0.738 | 60% | 0.604 | S | S | * | * | trans | -69 | 121.1 | 159.7 | -58.2 | 169.2 | 0 | 0 | 0 | 106.5 | T1445 | I1443-T1445 VanDerWaalsContact C-N 3.35Å; I1443-T1445 HydrophobicContact CG2-CG2 4.11Å; I1443-T1445 PolarHBondContact O-N 2.74Å | ||
| 1444 | P | 25.4 | Very low | 35.2 | Very low | 96 Ų | 96 | 100.1 Ų | 100.1 | 62% | 0.623 | 58% | 0.575 | S | S | * | * | trans | -73.6 | 90.2 | 174.5 | -13.5 | 30.2 | 0 | 0 | 0 | 109.3 | P1442 T1446 | P1442-P1444 WeakPolarHBondContact O-CD 3.36Å; P1444-T1446 PolarHBondContact O-N 3.23Å | ||
| 1445 | T | 25.1 | Very low | 37.2 | Very low | 138 Ų | 138 | 100.7 Ų | 100.7 | 85% | 0.847 | 57% | 0.567 | S | S | * | * | trans | -76.8 | 35.2 | 171.8 | 60.9 | 0 | 0 | 0 | 0 | 111.7 | I1443 | I1443-T1445 VanDerWaalsContact C-N 3.35Å; I1443-T1445 HydrophobicContact CG2-CG2 4.11Å; I1443-T1445 PolarHBondContact O-N 2.74Å | ||
| 1446 | T | 27.9 | Very low | 39.7 | Very low | 70 Ų | 70 | 96.3 Ų | 96.3 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | trans | -92.4 | 133.2 | 177.8 | 49.2 | 0 | 0 | 0 | 0 | 108.8 | P1444 H1448 | P1444-T1446 PolarHBondContact O-N 3.23Å; T1446-H1448 PolarHBondContact O-N 3.38Å | ||
| 1447 | N | 35 | Very low | 42.2 | Very low | 57 Ų | 57 | 91.6 Ų | 91.6 | 31% | 0.305 | 51% | 0.508 | S | S | . | . | trans | -66.4 | 129.9 | -179.3 | -137.4 | -20.3 | 0 | 0 | 0 | 108.4 | W1449 D1450 N1481 | N1447-W1449 PolarHBondContact O-N 3.14Å; N1447-D1450 VanDerWaalsContact CB-CG 3.47Å; N1447-D1450 WeakPolarHBondContact CB-OD2 3.05Å; N1447-D1450 PolarHBondContact N-OD2 3.4Å; N1447-D1450 VanDerWaalsContact N-OD2 3.11Å; N1447-D1450 WeakPolarHBondContact O-CB 3.45Å; N1447-D1450 PolarHBondContact O-N 2.96Å; N1447-N1481 PolarHBondContact ND2-OD1 3.09Å | ||
| 1448 | H | 43.7 | Very low | 44.7 | Very low | 120 Ų | 120 | 86.3 Ų | 86.3 | 56% | 0.556 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -24.4 | -179.3 | -72 | -81 | 0 | 0 | 0 | 112.3 | M1261 I1403 T1446 | M1261-H1448 WeakPolarHBondContact CE-O 3.38Å; I1403-H1448 HydrophobicContact CD1-CB 4.11Å; T1446-H1448 PolarHBondContact O-N 3.38Å |
| 1449 | W | 53 | Low | 47.7 | Very low | 27 Ų | 27 | 79.2 Ų | 79.2 | 10% | 0.102 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -32.7 | 173.3 | -55.5 | 104.9 | 0 | 0 | 0 | 113.9 | V1377 L1401 I1403 N1447 Q1451 L1452 L1454 F1479 N1481 G1482 | V1377-W1449 HydrophobicContact CG1-CZ3 4.48Å; L1401-W1449 HydrophobicContact CB-CH2 3.54Å; L1401-W1449 HydrophobicContact CB-CZ2 4.48Å; L1401-W1449 HydrophobicContact CB-CZ3 3.73Å; I1403-W1449 HydrophobicContact CD1-CD2 4.15Å; I1403-W1449 HydrophobicContact CD1-CE3 3.99Å; I1403-W1449 HydrophobicContact CD1-CH2 4.08Å; I1403-W1449 HydrophobicContact CD1-CZ2 4.2Å; I1403-W1449 HydrophobicContact CD1-CZ3 3.96Å; I1403-W1449 HydrophobicContact CG1-CE3 4.18Å; I1403-W1449 HydrophobicContact CG1-CH2 3.64Å; I1403-W1449 HydrophobicContact CG1-CZ2 4.17Å; I1403-W1449 HydrophobicContact CG1-CZ3 3.64Å; N1447-W1449 PolarHBondContact O-N 3.14Å; W1449-Q1451 VanDerWaalsContact C-N 3.27Å; W1449-Q1451 PolarHBondContact O-N 3.08Å; W1449-L1452 HydrophobicContact CE3-CD1 4.29Å; W1449-L1452 PolarHBondContact O-N 3.22Å; W1449-L1454 HydrophobicContact CE3-CD1 3.61Å; W1449-L1454 HydrophobicContact CZ3-CD1 3.97Å; W1449-F1479 HydrophobicContact CB-CE1 4.07Å; W1449-F1479 HydrophobicContact CB-CZ 4.17Å; W1449-F1479 AromaticContact CD2-CZ 3.97Å; W1449-F1479 HydrophobicContact CD2-CZ 3.97Å; W1449-F1479 HydrophobicContact CE3-CZ 4.02Å; W1449-F1479 HydrophobicContact CG-CE1 4.38Å; W1449-F1479 HydrophobicContact CG-CZ 4.04Å; W1449-N1481 PolarHBondContact NE1-O 3.36Å; W1449-G1482 VanDerWaalsContact CZ2-CA 3.42Å |
| 1450 | D | 43.1 | Very low | 50.6 | Low | 108 Ų | 108 | 75.5 Ų | 75.5 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -66.5 | -31.9 | -177.8 | -54.8 | -26.3 | 0 | 0 | 0 | 111.4 | N1447 L1452 | N1447-D1450 VanDerWaalsContact CB-CG 3.47Å; N1447-D1450 WeakPolarHBondContact CB-OD2 3.05Å; N1447-D1450 PolarHBondContact N-OD2 3.4Å; N1447-D1450 VanDerWaalsContact N-OD2 3.11Å; N1447-D1450 WeakPolarHBondContact O-CB 3.45Å; N1447-D1450 PolarHBondContact O-N 2.96Å; D1450-L1452 VanDerWaalsContact C-N 3.34Å |
| 1451 | Q | 47 | Very low | 53.3 | Low | 94 Ų | 94 | 69.6 Ų | 69.6 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -75.3 | -20.8 | 178.4 | -64.1 | -173 | -0.4 | 0 | 0 | 113.3 | M1261 W1449 S1453 | M1261-Q1451 HydrophobicContact CE-CB 4.03Å; W1449-Q1451 VanDerWaalsContact C-N 3.27Å; W1449-Q1451 PolarHBondContact O-N 3.08Å; Q1451-S1453 VanDerWaalsContact C-N 3.35Å |
| 1452 | L | 53.1 | Low | 55.1 | Low | 18 Ų | 18 | 66 Ų | 66 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -84.6 | -6.5 | -178 | -71.6 | 170.9 | 0 | 0 | 0 | 113.8 | M1261 V1377 I1403 W1449 D1450 L1454 | M1261-L1452 HydrophobicContact CE-CD1 4.5Å; M1261-L1452 HydrophobicContact CE-CD2 4.1Å; M1261-L1452 HydrophobicContact CE-CG 3.96Å; V1377-L1452 HydrophobicContact CG2-CD1 4.24Å; I1403-L1452 HydrophobicContact CD1-CD1 3.57Å; I1403-L1452 HydrophobicContact CG1-CD1 3.83Å; W1449-L1452 HydrophobicContact CE3-CD1 4.29Å; W1449-L1452 PolarHBondContact O-N 3.22Å; D1450-L1452 VanDerWaalsContact C-N 3.34Å; L1452-L1454 VanDerWaalsContact C-N 3.27Å; L1452-L1454 HydrophobicContact CB-CD2 3.93Å; L1452-L1454 HydrophobicContact CB-CG 3.85Å; L1452-L1454 PolarHBondContact O-N 3.12Å |
| 1453 | S | 56.1 | Low | 57.4 | Low | 92 Ų | 92 | 63.9 Ų | 63.9 | 64% | 0.643 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 41.5 | -180 | -53.3 | 0 | 0 | 0 | 0 | 113.5 | Q1451 Q1455 | Q1451-S1453 VanDerWaalsContact C-N 3.35Å; S1453-Q1455 PolarHBondContact O-N 2.98Å |
| 1454 | L | 64.3 | Low | 60 | Low | 32 Ų | 32 | 59.9 Ų | 59.9 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | trans | -72.1 | 122.8 | -174.2 | -61.1 | -174.2 | 0 | 0 | 0 | 112.3 | L1401 W1449 L1452 F1479 V1503 E1504 | L1401-L1454 HydrophobicContact CD1-CD1 4.46Å; W1449-L1454 HydrophobicContact CE3-CD1 3.61Å; W1449-L1454 HydrophobicContact CZ3-CD1 3.97Å; L1452-L1454 VanDerWaalsContact C-N 3.27Å; L1452-L1454 HydrophobicContact CB-CD2 3.93Å; L1452-L1454 HydrophobicContact CB-CG 3.85Å; L1452-L1454 PolarHBondContact O-N 3.12Å; L1454-F1479 HydrophobicContact CD1-CZ 4.47Å; L1454-V1503 HydrophobicContact CD1-CG1 4.26Å; L1454-V1503 HydrophobicContact CD2-CG1 4.4Å; L1454-E1504 CarbonylContact C-O 3.55Å; L1454-E1504 WeakPolarHBondContact CA-O 3.41Å | ||
| 1455 | Q | 70 | Confident | 62.5 | Low | 110 Ų | 110 | 56 Ų | 56 | 51% | 0.514 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.2 | 168.3 | 179 | 171.8 | -8.3 | 0 | 0 | 109.3 | S1453 E1504 | S1453-Q1455 PolarHBondContact O-N 2.98Å; Q1455-E1504 HydrophobicContact CB-CB 4.36Å; Q1455-E1504 PolarHBondContact N-O 2.86Å; Q1455-E1504 PolarHBondContact O-N 2.81Å |
| 1456 | I | 81.1 | Confident | 64.6 | Low | 44 Ų | 44 | 52.3 Ų | 52.3 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.5 | -178.4 | -57.6 | -175.5 | 0 | 0 | 0 | 109 | L1401 F1479 A1484 V1503 | L1401-I1456 HydrophobicContact CD1-CD1 3.99Å; I1456-F1479 HydrophobicContact CD1-CB 3.93Å; I1456-F1479 HydrophobicContact CD1-CD1 3.68Å; I1456-F1479 HydrophobicContact CD1-CD2 3.27Å; I1456-F1479 HydrophobicContact CD1-CE1 3.93Å; I1456-F1479 HydrophobicContact CD1-CE2 3.54Å; I1456-F1479 HydrophobicContact CD1-CG 3.33Å; I1456-F1479 HydrophobicContact CD1-CZ 3.86Å; I1456-A1484 HydrophobicContact CG2-CB 4.27Å; I1456-V1503 HydrophobicContact CD1-CG2 4.42Å; I1456-V1503 HydrophobicContact CG1-CG1 4.17Å; I1456-V1503 HydrophobicContact CG1-CG2 4.12Å; I1456-V1503 HydrophobicContact CG2-CG2 4.29Å |
| 1457 | S | 81.4 | Confident | 66.5 | Low | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 129.6 | -174.7 | 46.1 | 0 | 0 | 0 | 0 | 110.5 | K1502 | S1457-K1502 PolarHBondContact N-O 2.77Å; S1457-K1502 PolarHBondContact O-N 2.91Å; S1457-K1502 PolarHBondContact OG-O 3.43Å |
| 1458 | W | 88.4 | Confident | 68 | Low | 9 Ų | 9 | 60 Ų | 60 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 150.2 | 175.2 | -72 | 89 | 0 | 0 | 0 | 110 | L1383 M1397 L1465 T1477 A1484 L1486 C1500 C1501 | L1383-W1458 HydrophobicContact CD1-CH2 4.34Å; L1383-W1458 HydrophobicContact CD1-CZ3 3.81Å; L1383-W1458 HydrophobicContact CD2-CH2 3.82Å; L1383-W1458 HydrophobicContact CD2-CZ3 4.06Å; M1397-W1458 WeakPolarHBondContact O-CH2 3.39Å; W1458-L1465 HydrophobicContact CB-CB 3.94Å; W1458-L1465 HydrophobicContact CB-CD1 4.47Å; W1458-L1465 WeakPolarHBondContact O-CB 3.37Å; W1458-L1465 PolarHBondContact O-N 3.06Å; W1458-T1477 HydrophobicContact CB-CG2 4.28Å; W1458-T1477 VanDerWaalsContact CD1-CG2 3.49Å; W1458-T1477 HydrophobicContact CD2-CG2 4.44Å; W1458-T1477 HydrophobicContact CG-CG2 3.83Å; W1458-A1484 HydrophobicContact CZ2-CB 4.33Å; W1458-L1486 HydrophobicContact CB-CD1 4.32Å; W1458-L1486 HydrophobicContact CD2-CB 3.94Å; W1458-L1486 HydrophobicContact CD2-CD1 3.78Å; W1458-L1486 HydrophobicContact CE3-CB 3.84Å; W1458-L1486 HydrophobicContact CE3-CD1 3.49Å; W1458-L1486 VanDerWaalsContact CE3-CD1 3.49Å; W1458-L1486 HydrophobicContact CE3-CG 4.33Å; W1458-L1486 HydrophobicContact CG-CD1 4.16Å; W1458-L1486 HydrophobicContact CH2-CB 3.6Å; W1458-L1486 HydrophobicContact CZ2-CB 3.73Å; W1458-L1486 HydrophobicContact CZ3-CB 3.67Å; W1458-L1486 HydrophobicContact CZ3-CD1 4.01Å; W1458-L1486 HydrophobicContact CZ3-CG 4.47Å; W1458-C1500 CarbonylContact C-O 3.58Å; W1458-C1500 WeakPolarHBondContact CA-O 3.3Å; W1458-C1501 HydrophobicContact CD2-CB 4.2Å; W1458-C1501 HydrophobicContact CE3-CB 4Å; W1458-C1501 HydrophobicContact CH2-CB 4.05Å; W1458-C1501 HydrophobicContact CZ2-CB 4.19Å; W1458-C1501 HydrophobicContact CZ3-CB 3.95Å |
| 1459 | Y | 86.7 | Confident | 69.3 | Low | 14 Ų | 14 | 57.3 Ų | 57.3 | 6% | 0.055 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.2 | 174.5 | -57.9 | -105.1 | 0 | 0 | 0 | 108.9 | N1039 N1462 D1463 L1464 Y1499 C1500 K1502 | N1039-Y1459 HydrophobicContact CB-CD1 4.17Å; N1039-Y1459 HydrophobicContact CB-CE1 3.77Å; Y1459-N1462 WeakPolarHBondContact CD1-O 3.35Å; Y1459-D1463 CarbonylContact C-O 3.55Å; Y1459-D1463 VanDerWaalsContact CA-O 3.22Å; Y1459-D1463 WeakPolarHBondContact CA-O 3.24Å; Y1459-L1464 HydrophobicContact CD1-CB 4.02Å; Y1459-L1464 HydrophobicContact CD1-CD1 4.07Å; Y1459-L1464 HydrophobicContact CE1-CB 3.93Å; Y1459-L1464 HydrophobicContact CE1-CD1 3.6Å; Y1459-L1464 HydrophobicContact CE1-CG 4.37Å; Y1459-L1464 HydrophobicContact CE2-CD1 4.08Å; Y1459-Y1499 VanDerWaalsContact O-CA 3.25Å; Y1459-Y1499 WeakPolarHBondContact O-CA 3.22Å; Y1459-C1500 PolarHBondContact N-O 2.83Å; Y1459-C1500 PolarHBondContact O-N 2.89Å; Y1459-K1502 HydrophobicContact CD2-CB 4.4Å; Y1459-K1502 HydrophobicContact CE2-CB 3.76Å; Y1459-K1502 HydrophobicContact CE2-CD 4.11Å |
| 1460 | L | 87.1 | Confident | 70.2 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.7 | 174.4 | 162.3 | 57.1 | 0 | 0 | 0 | 108.5 | N1462 D1463 L1465 L1473 I1475 D1498 Y1499 | L1460-N1462 PolarHBondContact O-N 3.34Å; L1460-D1463 PolarHBondContact N-O 3.24Å; L1460-D1463 VanDerWaalsContact O-CB 3.26Å; L1460-D1463 WeakPolarHBondContact O-CB 3.44Å; L1460-D1463 PolarHBondContact O-N 3.12Å; L1460-L1465 HydrophobicContact CB-CD1 3.66Å; L1460-L1465 HydrophobicContact CB-CG 4.03Å; L1460-L1473 HydrophobicContact CD2-CD1 3.72Å; L1460-I1475 HydrophobicContact CD2-CD1 4.39Å; L1460-D1498 CarbonylContact C-O 3.6Å; L1460-Y1499 HydrophobicContact CB-CD1 4.23Å; L1460-Y1499 HydrophobicContact CB-CE1 4.06Å; L1460-Y1499 HydrophobicContact CD1-CD1 4.42Å; L1460-Y1499 HydrophobicContact CD1-CD2 4.11Å; L1460-Y1499 HydrophobicContact CD1-CE1 4Å; L1460-Y1499 HydrophobicContact CD1-CE2 3.62Å; L1460-Y1499 HydrophobicContact CD1-CG 4.48Å; L1460-Y1499 HydrophobicContact CD2-CE1 4.25Å; L1460-Y1499 HydrophobicContact CG-CE1 4.32Å |
| 1461 | N | 79.1 | Confident | 71.5 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 37.9 | -169.9 | -65.8 | -48.1 | 0 | 0 | 0 | 111.2 | D1463 E1496 G1497 D1498 | N1461-D1463 PolarHBondContact O-N 3.48Å; N1461-D1463 VanDerWaalsContact O-N 3.13Å; N1461-E1496 PolarHBondContact ND2-O 2.93Å; N1461-G1497 WeakPolarHBondContact OD1-CA 3.43Å; N1461-D1498 PolarHBondContact N-O 3.11Å; N1461-D1498 PolarHBondContact OD1-N 3.41Å |
| 1462 | N | 61.9 | Low | 72.8 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.053 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -0.4 | -170.8 | -69.1 | -24.5 | 0 | 0 | 0 | 117.8 | P1036 L1037 S1038 N1039 Y1459 L1460 | P1036-N1462 WeakPolarHBondContact CG-ND2 3.31Å; P1036-N1462 PolarHBondContact O-ND2 2.74Å; L1037-N1462 WeakPolarHBondContact O-CB 3.38Å; L1037-N1462 PolarHBondContact O-ND2 3.34Å; S1038-N1462 PolarHBondContact N-ND2 2.93Å; N1039-N1462 PolarHBondContact ND2-O 3.15Å; N1039-N1462 PolarHBondContact OD1-O 3.29Å; Y1459-N1462 WeakPolarHBondContact CD1-O 3.35Å; L1460-N1462 PolarHBondContact O-N 3.34Å |
| 1463 | D | 71.5 | Confident | 74 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131 | 172.5 | -136.2 | -6.4 | 0 | 0 | 0 | 108.7 | Y1459 L1460 N1461 L1465 K1469 | Y1459-D1463 CarbonylContact C-O 3.55Å; Y1459-D1463 VanDerWaalsContact CA-O 3.22Å; Y1459-D1463 WeakPolarHBondContact CA-O 3.24Å; L1460-D1463 PolarHBondContact N-O 3.24Å; L1460-D1463 VanDerWaalsContact O-CB 3.26Å; L1460-D1463 WeakPolarHBondContact O-CB 3.44Å; L1460-D1463 PolarHBondContact O-N 3.12Å; N1461-D1463 PolarHBondContact O-N 3.48Å; N1461-D1463 VanDerWaalsContact O-N 3.13Å; D1463-L1465 PolarHBondContact O-N 3.39Å; D1463-K1469 IonicContact OD1-NZ 3.73Å; D1463-K1469 PolarHBondContact OD1-NZ 3.47Å; D1463-K1469 WeakPolarHBondContact OD2-CE 3.41Å; D1463-K1469 IonicContact OD2-NZ 2.72Å; D1463-K1469 PolarHBondContact OD2-NZ 3.44Å |
| 1464 | L | 79.3 | Confident | 75.2 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 127.4 | -177.6 | -179.6 | 71.4 | 0 | 0 | 0 | 110.1 | N1039 Y1459 D1466 K1469 | N1039-L1464 PolarHBondContact ND2-N 3.43Å; Y1459-L1464 HydrophobicContact CD1-CB 4.02Å; Y1459-L1464 HydrophobicContact CD1-CD1 4.07Å; Y1459-L1464 HydrophobicContact CE1-CB 3.93Å; Y1459-L1464 HydrophobicContact CE1-CD1 3.6Å; Y1459-L1464 HydrophobicContact CE1-CG 4.37Å; Y1459-L1464 HydrophobicContact CE2-CD1 4.08Å; L1464-D1466 HydrophobicContact CD2-CB 4.22Å; L1464-D1466 HydrophobicContact CG-CB 4.35Å; L1464-D1466 PolarHBondContact O-N 2.95Å; L1464-K1469 WeakPolarHBondContact O-CD 3.2Å |
| 1465 | L | 78.5 | Confident | 76.1 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | trans | -84.4 | 66.6 | 173.9 | -109.9 | 169.6 | 0 | 0 | 0 | 109.2 | W1458 L1460 D1463 K1469 A1470 L1473 I1475 L1486 Y1499 | W1458-L1465 HydrophobicContact CB-CB 3.94Å; W1458-L1465 HydrophobicContact CB-CD1 4.47Å; W1458-L1465 WeakPolarHBondContact O-CB 3.37Å; W1458-L1465 PolarHBondContact O-N 3.06Å; L1460-L1465 HydrophobicContact CB-CD1 3.66Å; L1460-L1465 HydrophobicContact CB-CG 4.03Å; D1463-L1465 PolarHBondContact O-N 3.39Å; L1465-K1469 HydrophobicContact CD2-CB 4.39Å; L1465-A1470 HydrophobicContact CD2-CB 3.86Å; L1465-L1473 HydrophobicContact CD2-CD1 4.38Å; L1465-I1475 HydrophobicContact CD1-CD1 4.17Å; L1465-I1475 HydrophobicContact CD1-CG2 4.43Å; L1465-I1475 HydrophobicContact CD2-CB 4.45Å; L1465-I1475 HydrophobicContact CD2-CD1 4.18Å; L1465-I1475 HydrophobicContact CD2-CG2 4.46Å; L1465-L1486 HydrophobicContact CD1-CD1 3.79Å; L1465-Y1499 HydrophobicContact CD1-CD1 4.13Å; L1465-Y1499 HydrophobicContact CD1-CE1 3.93Å | ||
| 1466 | D | 69.4 | Low | 76.4 | Confident | 62 Ų | 62 | 60.2 Ų | 60.2 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | trans | -66.9 | 172.1 | 175.5 | 66.9 | 61.9 | 0 | 0 | 0 | 112.3 | L1464 E1468 K1469 A1470 | L1464-D1466 HydrophobicContact CD2-CB 4.22Å; L1464-D1466 HydrophobicContact CG-CB 4.35Å; L1464-D1466 PolarHBondContact O-N 2.95Å; D1466-E1468 PolarHBondContact O-N 2.75Å; D1466-E1468 VanDerWaalsContact O-N 3.16Å; D1466-E1468 WeakPolarHBondContact OD1-CA 3.42Å; D1466-E1468 WeakPolarHBondContact OD1-CB 3.45Å; D1466-E1468 PolarHBondContact OD1-N 3.35Å; D1466-K1469 PolarHBondContact O-N 2.95Å; D1466-K1469 PolarHBondContact OD1-N 3.44Å; D1466-A1470 WeakPolarHBondContact O-CB 3.38Å; D1466-A1470 PolarHBondContact O-N 3.03Å | ||
| 1467 | I | 66.4 | Low | 76.4 | Confident | 127 Ų | 127 | 61.2 Ų | 61.2 | 65% | 0.651 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.2 | -23.9 | -175.3 | -61.5 | 173.4 | 0 | 0 | 0 | 112.6 | K1471 | I1467-K1471 HydrophobicContact CG2-CD 4.37Å; I1467-K1471 WeakPolarHBondContact O-CB 3.42Å; I1467-K1471 WeakPolarHBondContact O-CD 3.41Å; I1467-K1471 WeakPolarHBondContact O-CG 3.13Å |
| 1468 | E | 67.3 | Low | 76.1 | Confident | 161 Ų | 161 | 63.5 Ų | 63.5 | 75% | 0.752 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -87.4 | -43.6 | 177.4 | -57.2 | -164.2 | 163 | 0 | 0 | 111.5 | D1466 K1471 K1472 | D1466-E1468 PolarHBondContact O-N 2.75Å; D1466-E1468 VanDerWaalsContact O-N 3.16Å; D1466-E1468 WeakPolarHBondContact OD1-CA 3.42Å; D1466-E1468 WeakPolarHBondContact OD1-CB 3.45Å; D1466-E1468 PolarHBondContact OD1-N 3.35Å; E1468-K1471 PolarHBondContact O-N 3.48Å; E1468-K1472 WeakPolarHBondContact O-CB 3.33Å; E1468-K1472 PolarHBondContact O-N 2.84Å |
| 1469 | K | 71 | Confident | 75.4 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.1 | -91 | 173.7 | 167.8 | 168.6 | 0 | 112.8 | D1463 L1464 L1465 D1466 K1471 K1472 L1473 | D1463-K1469 IonicContact OD1-NZ 3.73Å; D1463-K1469 PolarHBondContact OD1-NZ 3.47Å; D1463-K1469 WeakPolarHBondContact OD2-CE 3.41Å; D1463-K1469 IonicContact OD2-NZ 2.72Å; D1463-K1469 PolarHBondContact OD2-NZ 3.44Å; L1464-K1469 WeakPolarHBondContact O-CD 3.2Å; L1465-K1469 HydrophobicContact CD2-CB 4.39Å; D1466-K1469 PolarHBondContact O-N 2.95Å; D1466-K1469 PolarHBondContact OD1-N 3.44Å; K1469-K1471 PolarHBondContact O-N 3.31Å; K1469-K1472 PolarHBondContact O-N 3.06Å; K1469-L1473 WeakPolarHBondContact O-CG 3.39Å; K1469-L1473 PolarHBondContact O-N 3.05Å |
| 1470 | A | 72.4 | Confident | 74.3 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 7% | 0.066 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | L1465 D1466 K1472 L1473 N1474 I1475 | L1465-A1470 HydrophobicContact CD2-CB 3.86Å; D1466-A1470 WeakPolarHBondContact O-CB 3.38Å; D1466-A1470 PolarHBondContact O-N 3.03Å; A1470-K1472 PolarHBondContact O-N 2.77Å; A1470-L1473 PolarHBondContact O-N 3Å; A1470-N1474 PolarHBondContact O-N 2.95Å; A1470-I1475 CarbonylContact C-O 3.58Å; A1470-I1475 WeakPolarHBondContact CB-O 3.35Å; A1470-I1475 PolarHBondContact O-N 3.29Å |
| 1471 | K | 70.5 | Confident | 73.2 | Confident | 150 Ų | 150 | 72.7 Ų | 72.7 | 65% | 0.652 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | 173.5 | -74.8 | 173.2 | -170.6 | 170 | 0 | 113.1 | I1467 E1468 K1469 L1473 N1474 | I1467-K1471 HydrophobicContact CG2-CD 4.37Å; I1467-K1471 WeakPolarHBondContact O-CB 3.42Å; I1467-K1471 WeakPolarHBondContact O-CD 3.41Å; I1467-K1471 WeakPolarHBondContact O-CG 3.13Å; E1468-K1471 PolarHBondContact O-N 3.48Å; K1469-K1471 PolarHBondContact O-N 3.31Å; K1471-L1473 VanDerWaalsContact C-N 3.28Å; K1471-L1473 PolarHBondContact O-N 3.4Å; K1471-N1474 PolarHBondContact O-N 2.63Å |
| 1472 | K | 74.4 | Confident | 72.8 | Confident | 166 Ų | 166 | 69.5 Ų | 69.5 | 72% | 0.722 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.4 | -33.5 | 178.5 | -172.8 | -176.5 | 173.8 | -167.6 | 0 | 112.5 | E1468 K1469 A1470 | E1468-K1472 WeakPolarHBondContact O-CB 3.33Å; E1468-K1472 PolarHBondContact O-N 2.84Å; K1469-K1472 PolarHBondContact O-N 3.06Å; A1470-K1472 PolarHBondContact O-N 2.77Å |
| 1473 | L | 78 | Confident | 73.6 | Confident | 28 Ų | 28 | 73 Ų | 73 | 15% | 0.147 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 6 | -178.3 | -63.9 | 171.2 | 0 | 0 | 0 | 113.7 | L1460 L1465 K1469 A1470 K1471 I1475 E1494 H1495 | L1460-L1473 HydrophobicContact CD2-CD1 3.72Å; L1465-L1473 HydrophobicContact CD2-CD1 4.38Å; K1469-L1473 WeakPolarHBondContact O-CG 3.39Å; K1469-L1473 PolarHBondContact O-N 3.05Å; A1470-L1473 PolarHBondContact O-N 3Å; K1471-L1473 VanDerWaalsContact C-N 3.28Å; K1471-L1473 PolarHBondContact O-N 3.4Å; L1473-I1475 HydrophobicContact CB-CD1 3.81Å; L1473-I1475 HydrophobicContact CB-CG1 3.75Å; L1473-I1475 HydrophobicContact CD1-CD1 4.09Å; L1473-I1475 PolarHBondContact O-N 2.92Å; L1473-E1494 HydrophobicContact CD2-CB 3.92Å; L1473-H1495 PolarHBondContact O-CE1 2.72Å; L1473-H1495 VanDerWaalsContact O-CE1 3.31Å; L1473-H1495 PolarHBondContact O-NE2 3.21Å |
| 1474 | N | 81.2 | Confident | 74.1 | Confident | 121 Ų | 121 | 70 Ų | 70 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 38.9 | -171 | -59.3 | -44.6 | 0 | 0 | 0 | 113.2 | A1470 K1471 | A1470-N1474 PolarHBondContact O-N 2.95Å; K1471-N1474 PolarHBondContact O-N 2.63Å |
| 1475 | I | 83.4 | Confident | 74.2 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 5% | 0.046 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.6 | 175.8 | -60.4 | -175.9 | 0 | 0 | 0 | 108.2 | L1460 L1465 A1470 L1473 T1477 L1486 S1487 I1488 Y1499 | L1460-I1475 HydrophobicContact CD2-CD1 4.39Å; L1465-I1475 HydrophobicContact CD1-CD1 4.17Å; L1465-I1475 HydrophobicContact CD1-CG2 4.43Å; L1465-I1475 HydrophobicContact CD2-CB 4.45Å; L1465-I1475 HydrophobicContact CD2-CD1 4.18Å; L1465-I1475 HydrophobicContact CD2-CG2 4.46Å; A1470-I1475 CarbonylContact C-O 3.58Å; A1470-I1475 WeakPolarHBondContact CB-O 3.35Å; A1470-I1475 PolarHBondContact O-N 3.29Å; L1473-I1475 HydrophobicContact CB-CD1 3.81Å; L1473-I1475 HydrophobicContact CB-CG1 3.75Å; L1473-I1475 HydrophobicContact CD1-CD1 4.09Å; L1473-I1475 PolarHBondContact O-N 2.92Å; I1475-T1477 HydrophobicContact CG2-CG2 4.48Å; I1475-L1486 HydrophobicContact CG2-CD1 3.81Å; I1475-L1486 HydrophobicContact CG2-CD2 3.8Å; I1475-L1486 HydrophobicContact CG2-CG 3.54Å; I1475-S1487 WeakPolarHBondContact CA-O 3.24Å; I1475-I1488 HydrophobicContact CD1-CD1 4.11Å; I1475-I1488 HydrophobicContact CD1-CG1 4.4Å; I1475-I1488 HydrophobicContact CG1-CD1 4.28Å; I1475-I1488 HydrophobicContact CG1-CG1 4.06Å; I1475-I1488 HydrophobicContact CG1-CG2 4.35Å; I1475-I1488 HydrophobicContact CG2-CG1 4.49Å; I1475-Y1499 HydrophobicContact CD1-CE1 4.21Å |
| 1476 | S | 75.9 | Confident | 74.7 | Confident | 59 Ų | 59 | 67.8 Ų | 67.8 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140.8 | 172.6 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | L1486 S1487 | S1476-L1486 CarbonylContact O-C 3.56Å; S1476-L1486 WeakPolarHBondContact O-CA 3.37Å; S1476-S1487 PolarHBondContact N-O 3.17Å; S1476-S1487 PolarHBondContact O-N 3.46Å; S1476-S1487 WeakPolarHBondContact OG-CB 3.47Å; S1476-S1487 PolarHBondContact OG-O 3Å |
| 1477 | T | 79.7 | Confident | 75.3 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138 | 178.2 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | W1458 I1475 T1485 L1486 | W1458-T1477 HydrophobicContact CB-CG2 4.28Å; W1458-T1477 VanDerWaalsContact CD1-CG2 3.49Å; W1458-T1477 HydrophobicContact CD2-CG2 4.44Å; W1458-T1477 HydrophobicContact CG-CG2 3.83Å; I1475-T1477 HydrophobicContact CG2-CG2 4.48Å; T1477-T1485 CarbonylContact C-O 3.59Å; T1477-T1485 WeakPolarHBondContact CA-O 3.26Å; T1477-L1486 HydrophobicContact CG2-CB 4.29Å; T1477-L1486 HydrophobicContact CG2-CD1 4.17Å; T1477-L1486 HydrophobicContact CG2-CG 4.17Å |
| 1478 | N | 75.1 | Confident | 76.3 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 151.5 | -177 | -159 | -13.2 | 0 | 0 | 0 | 110.9 | V1480 A1484 T1485 D1801 | N1478-V1480 WeakPolarHBondContact OD1-CG2 3.44Å; N1478-A1484 WeakPolarHBondContact O-CA 3.22Å; N1478-T1485 PolarHBondContact N-O 3.35Å; N1478-T1485 PolarHBondContact O-N 3.4Å; N1478-D1801 PolarHBondContact ND2-OD2 2.79Å |
| 1479 | F | 75 | Confident | 76.6 | Confident | 64 Ų | 64 | 57.2 Ų | 57.2 | 28% | 0.281 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 113.3 | 170.1 | 175.5 | -115.5 | 0 | 0 | 0 | 110.5 | L1401 W1449 L1454 I1456 G1482 L1483 A1484 | L1401-F1479 HydrophobicContact CD1-CD2 4.43Å; L1401-F1479 HydrophobicContact CD1-CE2 3.62Å; L1401-F1479 HydrophobicContact CD1-CZ 4.18Å; W1449-F1479 HydrophobicContact CB-CE1 4.07Å; W1449-F1479 HydrophobicContact CB-CZ 4.17Å; W1449-F1479 AromaticContact CD2-CZ 3.97Å; W1449-F1479 HydrophobicContact CD2-CZ 3.97Å; W1449-F1479 HydrophobicContact CE3-CZ 4.02Å; W1449-F1479 HydrophobicContact CG-CE1 4.38Å; W1449-F1479 HydrophobicContact CG-CZ 4.04Å; L1454-F1479 HydrophobicContact CD1-CZ 4.47Å; I1456-F1479 HydrophobicContact CD1-CB 3.93Å; I1456-F1479 HydrophobicContact CD1-CD1 3.68Å; I1456-F1479 HydrophobicContact CD1-CD2 3.27Å; I1456-F1479 HydrophobicContact CD1-CE1 3.93Å; I1456-F1479 HydrophobicContact CD1-CE2 3.54Å; I1456-F1479 HydrophobicContact CD1-CG 3.33Å; I1456-F1479 HydrophobicContact CD1-CZ 3.86Å; F1479-G1482 VanDerWaalsContact CE2-CA 3.41Å; F1479-L1483 WeakPolarHBondContact CA-O 3.47Å; F1479-A1484 HydrophobicContact CD2-CB 4.15Å |
| 1480 | V | 63.8 | Low | 76.9 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 125 | 178 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | N1478 G1482 L1483 | N1478-V1480 WeakPolarHBondContact OD1-CG2 3.44Å; V1480-G1482 PolarHBondContact O-N 3.04Å; V1480-L1483 PolarHBondContact N-O 3.22Å; V1480-L1483 VanDerWaalsContact N-O 3.14Å; V1480-L1483 WeakPolarHBondContact O-CB 3.11Å; V1480-L1483 PolarHBondContact O-N 3.49Å |
| 1481 | N | 64.4 | Low | 77.3 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 32.9 | 170.5 | -56.5 | -8.4 | 0 | 0 | 0 | 115 | N1447 W1449 | N1447-N1481 PolarHBondContact ND2-OD1 3.09Å; W1449-N1481 PolarHBondContact NE1-O 3.36Å |
| 1482 | G | 69.4 | Low | 77.7 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | -11.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1401 W1449 F1479 V1480 | L1401-G1482 WeakPolarHBondContact CB-O 3.36Å; L1401-G1482 PolarHBondContact N-O 3.1Å; W1449-G1482 VanDerWaalsContact CZ2-CA 3.42Å; F1479-G1482 VanDerWaalsContact CE2-CA 3.41Å; V1480-G1482 PolarHBondContact O-N 3.04Å |
| 1483 | L | 77.9 | Confident | 77.8 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 104.8 | 176.7 | -70.4 | 138.3 | 0 | 0 | 0 | 110.2 | T1398 C1400 F1479 V1480 | T1398-L1483 HydrophobicContact CG2-CD2 3.73Å; C1400-L1483 WeakPolarHBondContact SG-CD2 3.33Å; F1479-L1483 WeakPolarHBondContact CA-O 3.47Å; V1480-L1483 PolarHBondContact N-O 3.22Å; V1480-L1483 VanDerWaalsContact N-O 3.14Å; V1480-L1483 WeakPolarHBondContact O-CB 3.11Å; V1480-L1483 PolarHBondContact O-N 3.49Å |
| 1484 | A | 82.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 115.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | T1398 C1399 I1456 W1458 N1478 F1479 | T1398-A1484 WeakPolarHBondContact CA-O 3.22Å; C1399-A1484 PolarHBondContact N-O 2.87Å; C1399-A1484 PolarHBondContact O-N 2.91Å; I1456-A1484 HydrophobicContact CG2-CB 4.27Å; W1458-A1484 HydrophobicContact CZ2-CB 4.33Å; N1478-A1484 WeakPolarHBondContact O-CA 3.22Å; F1479-A1484 HydrophobicContact CD2-CB 4.15Å |
| 1485 | T | 83.1 | Confident | 77.9 | Confident | 28 Ų | 28 | 49 Ų | 49 | 17% | 0.172 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 136.5 | -174.5 | -63 | 0 | 0 | 0 | 0 | 111.4 | M1397 T1398 T1477 N1478 | M1397-T1485 WeakPolarHBondContact O-CA 3.36Å; T1398-T1485 VanDerWaalsContact CG2-OG1 3.3Å; T1398-T1485 WeakPolarHBondContact CG2-OG1 3.35Å; T1398-T1485 VanDerWaalsContact OG1-CG2 3.29Å; T1398-T1485 WeakPolarHBondContact OG1-CG2 3.32Å; T1398-T1485 PolarHBondContact OG1-OG1 3.09Å; T1477-T1485 CarbonylContact C-O 3.59Å; T1477-T1485 WeakPolarHBondContact CA-O 3.26Å; N1478-T1485 PolarHBondContact N-O 3.35Å; N1478-T1485 PolarHBondContact O-N 3.4Å |
| 1486 | L | 88.3 | Confident | 77.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.6 | 166.7 | 179.6 | 154.2 | 0 | 0 | 0 | 108.2 | K1396 M1397 W1458 L1465 I1475 S1476 T1477 I1488 Y1499 | K1396-L1486 CarbonylContact C-O 3.57Å; K1396-L1486 WeakPolarHBondContact CA-O 3.25Å; M1397-L1486 HydrophobicContact CB-CB 4.45Å; M1397-L1486 PolarHBondContact N-O 2.87Å; M1397-L1486 PolarHBondContact O-N 3Å; W1458-L1486 HydrophobicContact CB-CD1 4.32Å; W1458-L1486 HydrophobicContact CD2-CB 3.94Å; W1458-L1486 HydrophobicContact CD2-CD1 3.78Å; W1458-L1486 HydrophobicContact CE3-CB 3.84Å; W1458-L1486 HydrophobicContact CE3-CD1 3.49Å; W1458-L1486 VanDerWaalsContact CE3-CD1 3.49Å; W1458-L1486 HydrophobicContact CE3-CG 4.33Å; W1458-L1486 HydrophobicContact CG-CD1 4.16Å; W1458-L1486 HydrophobicContact CH2-CB 3.6Å; W1458-L1486 HydrophobicContact CZ2-CB 3.73Å; W1458-L1486 HydrophobicContact CZ3-CB 3.67Å; W1458-L1486 HydrophobicContact CZ3-CD1 4.01Å; W1458-L1486 HydrophobicContact CZ3-CG 4.47Å; L1465-L1486 HydrophobicContact CD1-CD1 3.79Å; I1475-L1486 HydrophobicContact CG2-CD1 3.81Å; I1475-L1486 HydrophobicContact CG2-CD2 3.8Å; I1475-L1486 HydrophobicContact CG2-CG 3.54Å; S1476-L1486 CarbonylContact O-C 3.56Å; S1476-L1486 WeakPolarHBondContact O-CA 3.37Å; T1477-L1486 HydrophobicContact CG2-CB 4.29Å; T1477-L1486 HydrophobicContact CG2-CD1 4.17Å; T1477-L1486 HydrophobicContact CG2-CG 4.17Å; L1486-I1488 HydrophobicContact CD2-CD1 3.87Å; L1486-I1488 HydrophobicContact CD2-CG1 3.6Å; L1486-Y1499 HydrophobicContact CD1-CD1 3.65Å; L1486-Y1499 HydrophobicContact CD1-CE1 3.83Å; L1486-Y1499 HydrophobicContact CD2-CD1 4.32Å; L1486-Y1499 HydrophobicContact CD2-CE1 4.02Å |
| 1487 | S | 81.6 | Confident | 78.1 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 11% | 0.112 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.7 | 177.5 | -52.1 | 0 | 0 | 0 | 0 | 111 | T1395 I1475 S1476 | T1395-S1487 CarbonylContact O-C 3.57Å; T1395-S1487 WeakPolarHBondContact O-CA 3.48Å; I1475-S1487 WeakPolarHBondContact CA-O 3.24Å; S1476-S1487 PolarHBondContact N-O 3.17Å; S1476-S1487 PolarHBondContact O-N 3.46Å; S1476-S1487 WeakPolarHBondContact OG-CB 3.47Å; S1476-S1487 PolarHBondContact OG-O 3Å |
| 1488 | I | 88.6 | Confident | 78.1 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 113.4 | -179.7 | -42.8 | -175.1 | 0 | 0 | 0 | 107 | P1394 T1395 I1475 L1486 N1490 V1491 H1495 Y1499 I1516 | P1394-I1488 CarbonylContact C-O 3.57Å; P1394-I1488 WeakPolarHBondContact CA-O 3.39Å; T1395-I1488 PolarHBondContact N-O 3.46Å; T1395-I1488 PolarHBondContact O-N 2.75Å; I1475-I1488 HydrophobicContact CD1-CD1 4.11Å; I1475-I1488 HydrophobicContact CD1-CG1 4.4Å; I1475-I1488 HydrophobicContact CG1-CD1 4.28Å; I1475-I1488 HydrophobicContact CG1-CG1 4.06Å; I1475-I1488 HydrophobicContact CG1-CG2 4.35Å; I1475-I1488 HydrophobicContact CG2-CG1 4.49Å; L1486-I1488 HydrophobicContact CD2-CD1 3.87Å; L1486-I1488 HydrophobicContact CD2-CG1 3.6Å; I1488-N1490 VanDerWaalsContact C-N 3.28Å; I1488-N1490 PolarHBondContact O-N 2.89Å; I1488-V1491 HydrophobicContact CB-CG2 4.07Å; I1488-V1491 HydrophobicContact CD1-CG2 4.35Å; I1488-V1491 HydrophobicContact CG2-CG2 3.93Å; I1488-H1495 HydrophobicContact CD1-CB 4.23Å; I1488-H1495 VanDerWaalsContact CG2-ND1 3.3Å; I1488-H1495 WeakPolarHBondContact CG2-ND1 3.46Å; I1488-Y1499 HydrophobicContact CD1-CE1 4.37Å; I1488-Y1499 WeakPolarHBondContact CD1-OH 3.38Å; I1488-I1516 HydrophobicContact CD1-CD1 3.66Å |
| 1489 | D | 73.2 | Confident | 78.7 | Confident | 110 Ų | 110 | 43.7 Ų | 43.7 | 59% | 0.588 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -76.4 | -16.2 | -169.9 | -60.4 | -40.6 | 0 | 0 | 0 | 113.6 | ||
| 1490 | N | 77.4 | Confident | 79.3 | Confident | 90 Ų | 90 | 40.8 Ų | 40.8 | 48% | 0.481 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -155.8 | 102.2 | -179 | -177 | -18.1 | 0 | 0 | 0 | 109.5 | G1392 I1488 H1495 | G1392-N1490 WeakPolarHBondContact CA-OD1 3.39Å; I1488-N1490 VanDerWaalsContact C-N 3.28Å; I1488-N1490 PolarHBondContact O-N 2.89Å; N1490-H1495 PolarHBondContact O-CE1 2.87Å; N1490-H1495 PolarHBondContact O-ND1 3.17Å |
| 1491 | V | 79.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -74.6 | 129.4 | -175.8 | 167.6 | 0 | 0 | 0 | 0 | 112.6 | V1389 K1391 G1392 D1393 T1395 I1488 H1495 I1516 L1518 | V1389-V1491 HydrophobicContact CB-CG1 4.13Å; V1389-V1491 HydrophobicContact CG1-CB 3.73Å; V1389-V1491 HydrophobicContact CG1-CG1 3.78Å; V1389-V1491 HydrophobicContact CG1-CG2 3.96Å; K1391-V1491 CarbonylContact C-O 3.55Å; K1391-V1491 WeakPolarHBondContact CA-O 3.3Å; G1392-V1491 PolarHBondContact N-O 2.61Å; D1393-V1491 WeakPolarHBondContact O-CB 3.19Å; D1393-V1491 WeakPolarHBondContact O-CG2 3.34Å; D1393-V1491 PolarHBondContact O-N 3.24Å; D1393-V1491 VanDerWaalsContact O-N 3.07Å; T1395-V1491 HydrophobicContact CG2-CG2 4.42Å; T1395-V1491 WeakPolarHBondContact OG1-CG2 3.27Å; I1488-V1491 HydrophobicContact CB-CG2 4.07Å; I1488-V1491 HydrophobicContact CD1-CG2 4.35Å; I1488-V1491 HydrophobicContact CG2-CG2 3.93Å; V1491-H1495 HydrophobicContact CG1-CB 4.3Å; V1491-I1516 HydrophobicContact CG1-CG2 4.18Å; V1491-L1518 HydrophobicContact CG1-CD2 3.78Å | ||
| 1492 | S | 80.3 | Confident | 81.4 | Confident | 22 Ų | 22 | 33.3 Ų | 33.3 | 15% | 0.154 | 18% | 0.176 | C | C | . | . | trans | -125.3 | 177 | -173.7 | 85.6 | 0 | 0 | 0 | 0 | 111.3 | E1494 H1495 | S1492-E1494 PolarHBondContact O-N 2.83Å; S1492-E1494 WeakPolarHBondContact OG-CB 3.42Å; S1492-E1494 PolarHBondContact OG-N 3.27Å; S1492-H1495 PolarHBondContact N-ND1 3.15Å; S1492-H1495 PolarHBondContact O-N 2.82Å; S1492-H1495 PolarHBondContact OG-CE1 3Å; S1492-H1495 PolarHBondContact OG-NE2 3.16Å | ||
| 1493 | L | 75.3 | Confident | 81.9 | Confident | 112 Ų | 112 | 33.5 Ų | 33.5 | 59% | 0.586 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.4 | 172.7 | -83.7 | 155.8 | 0 | 0 | 0 | 112.9 | H1495 L1518 | L1493-H1495 VanDerWaalsContact C-N 3.27Å; L1493-L1518 HydrophobicContact CB-CD1 4.23Å; L1493-L1518 HydrophobicContact CD2-CD1 3.68Å; L1493-L1518 HydrophobicContact CG-CD1 3.62Å |
| 1494 | E | 76.1 | Confident | 81.3 | Confident | 130 Ų | 130 | 31.6 Ų | 31.6 | 61% | 0.607 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -10.3 | 177.1 | -56.2 | 174.4 | -116.8 | 0 | 0 | 111.9 | L1473 S1492 | L1473-E1494 HydrophobicContact CD2-CB 3.92Å; S1492-E1494 PolarHBondContact O-N 2.83Å; S1492-E1494 WeakPolarHBondContact OG-CB 3.42Å; S1492-E1494 PolarHBondContact OG-N 3.27Å |
| 1495 | H | 86.4 | Confident | 80.2 | Confident | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.046 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -107.3 | -1.1 | -177.9 | -49.3 | 156.8 | 0 | 0 | 0 | 112.4 | L1473 I1488 N1490 V1491 S1492 L1493 Y1499 | L1473-H1495 PolarHBondContact O-CE1 2.72Å; L1473-H1495 VanDerWaalsContact O-CE1 3.31Å; L1473-H1495 PolarHBondContact O-NE2 3.21Å; I1488-H1495 HydrophobicContact CD1-CB 4.23Å; I1488-H1495 VanDerWaalsContact CG2-ND1 3.3Å; I1488-H1495 WeakPolarHBondContact CG2-ND1 3.46Å; N1490-H1495 PolarHBondContact O-CE1 2.87Å; N1490-H1495 PolarHBondContact O-ND1 3.17Å; V1491-H1495 HydrophobicContact CG1-CB 4.3Å; S1492-H1495 PolarHBondContact N-ND1 3.15Å; S1492-H1495 PolarHBondContact O-N 2.82Å; S1492-H1495 PolarHBondContact OG-CE1 3Å; S1492-H1495 PolarHBondContact OG-NE2 3.16Å; L1493-H1495 VanDerWaalsContact C-N 3.27Å; H1495-Y1499 WeakPolarHBondContact O-CE2 3.39Å; H1495-Y1499 PolarHBondContact O-OH 3.39Å |
| 1496 | E | 83.3 | Confident | 78.7 | Confident | 49 Ų | 49 | 37.1 Ų | 37.1 | 23% | 0.229 | 21% | 0.206 | C | C | . | . | trans | -72.1 | 122.9 | 172.2 | -159.9 | -171.9 | 134 | 0 | 0 | 109.7 | N1461 R1520 | N1461-E1496 PolarHBondContact ND2-O 2.93Å; E1496-R1520 IonicContact OE1-CZ 3.46Å; E1496-R1520 IonicContact OE1-NH2 4Å; E1496-R1520 PolarHBondContact OE1-NH2 2.96Å; E1496-R1520 IonicContact OE2-CZ 3.45Å; E1496-R1520 IonicContact OE2-NE 2.72Å; E1496-R1520 PolarHBondContact OE2-NE 3.02Å; E1496-R1520 IonicContact OE2-NH2 3.2Å; E1496-R1520 PolarHBondContact OE2-NH2 2.94Å | ||
| 1497 | G | 78.6 | Confident | 76.5 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | 176.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | N1461 K1515 I1516 | N1461-G1497 WeakPolarHBondContact OD1-CA 3.43Å; G1497-K1515 CarbonylContact O-C 3.54Å; G1497-K1515 WeakPolarHBondContact O-CA 3.43Å; G1497-I1516 PolarHBondContact N-O 3.49Å; G1497-I1516 PolarHBondContact O-N 2.77Å |
| 1498 | D | 80.8 | Confident | 74.8 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 109.5 | 177.1 | -64.4 | -61.1 | 0 | 0 | 0 | 110.9 | P1036 L1460 N1461 K1515 | P1036-D1498 HydrophobicContact CG-CB 4.44Å; L1460-D1498 CarbonylContact C-O 3.6Å; N1461-D1498 PolarHBondContact N-O 3.11Å; N1461-D1498 PolarHBondContact OD1-N 3.41Å; D1498-K1515 WeakPolarHBondContact OD1-CD 3.15Å; D1498-K1515 VanDerWaalsContact OD1-CG 3.28Å; D1498-K1515 WeakPolarHBondContact OD1-CG 3.18Å; D1498-K1515 IonicContact OD1-NZ 2.71Å; D1498-K1515 PolarHBondContact OD1-NZ 3.38Å; D1498-K1515 IonicContact OD2-NZ 2.67Å; D1498-K1515 PolarHBondContact OD2-NZ 3.04Å |
| 1499 | Y | 88.4 | Confident | 73.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 142.4 | 174.3 | -67.4 | -101.8 | 0 | 0 | 0 | 110.9 | M1397 Y1459 L1460 L1465 I1475 L1486 I1488 H1495 F1513 G1514 I1516 | M1397-Y1499 HydrophobicContact CE-CG 4.46Å; M1397-Y1499 HydrophobicContact SD-CD1 4.39Å; M1397-Y1499 HydrophobicContact SD-CD2 3.8Å; M1397-Y1499 HydrophobicContact SD-CE2 4.4Å; M1397-Y1499 HydrophobicContact SD-CG 3.8Å; Y1459-Y1499 VanDerWaalsContact O-CA 3.25Å; Y1459-Y1499 WeakPolarHBondContact O-CA 3.22Å; L1460-Y1499 HydrophobicContact CB-CD1 4.23Å; L1460-Y1499 HydrophobicContact CB-CE1 4.06Å; L1460-Y1499 HydrophobicContact CD1-CD1 4.42Å; L1460-Y1499 HydrophobicContact CD1-CD2 4.11Å; L1460-Y1499 HydrophobicContact CD1-CE1 4Å; L1460-Y1499 HydrophobicContact CD1-CE2 3.62Å; L1460-Y1499 HydrophobicContact CD1-CG 4.48Å; L1460-Y1499 HydrophobicContact CD2-CE1 4.25Å; L1460-Y1499 HydrophobicContact CG-CE1 4.32Å; L1465-Y1499 HydrophobicContact CD1-CD1 4.13Å; L1465-Y1499 HydrophobicContact CD1-CE1 3.93Å; I1475-Y1499 HydrophobicContact CD1-CE1 4.21Å; L1486-Y1499 HydrophobicContact CD1-CD1 3.65Å; L1486-Y1499 HydrophobicContact CD1-CE1 3.83Å; L1486-Y1499 HydrophobicContact CD2-CD1 4.32Å; L1486-Y1499 HydrophobicContact CD2-CE1 4.02Å; I1488-Y1499 HydrophobicContact CD1-CE1 4.37Å; I1488-Y1499 WeakPolarHBondContact CD1-OH 3.38Å; H1495-Y1499 WeakPolarHBondContact O-CE2 3.39Å; H1495-Y1499 PolarHBondContact O-OH 3.39Å; Y1499-F1513 WeakPolarHBondContact O-CA 3.29Å; Y1499-G1514 WeakPolarHBondContact CA-O 3.44Å; Y1499-G1514 WeakPolarHBondContact CB-O 3.36Å; Y1499-G1514 PolarHBondContact N-O 2.73Å; Y1499-G1514 PolarHBondContact O-N 2.86Å; Y1499-I1516 HydrophobicContact CD2-CB 4.42Å; Y1499-I1516 HydrophobicContact CD2-CD1 4.14Å; Y1499-I1516 HydrophobicContact CD2-CG1 3.93Å; Y1499-I1516 HydrophobicContact CE2-CB 3.89Å; Y1499-I1516 HydrophobicContact CE2-CD1 3.46Å; Y1499-I1516 VanDerWaalsContact CE2-CD1 3.46Å; Y1499-I1516 HydrophobicContact CE2-CG1 3.58Å |
| 1500 | C | 86.2 | Confident | 73.4 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.9 | 172.2 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | W1458 Y1459 T1512 F1513 | W1458-C1500 CarbonylContact C-O 3.58Å; W1458-C1500 WeakPolarHBondContact CA-O 3.3Å; Y1459-C1500 PolarHBondContact N-O 2.83Å; Y1459-C1500 PolarHBondContact O-N 2.89Å; C1500-T1512 WeakPolarHBondContact CA-O 3.31Å; C1500-F1513 HydrophobicContact CB-CD1 3.72Å; C1500-F1513 HydrophobicContact CB-CE1 3.78Å |
| 1501 | C | 87.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.7 | 164.4 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | L1383 W1458 Q1511 T1512 | L1383-C1501 HydrophobicContact CD1-CB 4.16Å; W1458-C1501 HydrophobicContact CD2-CB 4.2Å; W1458-C1501 HydrophobicContact CE3-CB 4Å; W1458-C1501 HydrophobicContact CH2-CB 4.05Å; W1458-C1501 HydrophobicContact CZ2-CB 4.19Å; W1458-C1501 HydrophobicContact CZ3-CB 3.95Å; C1501-Q1511 WeakPolarHBondContact O-CA 3.33Å; C1501-T1512 HydrophobicContact CB-CG2 4.01Å; C1501-T1512 PolarHBondContact N-O 3.1Å; C1501-T1512 PolarHBondContact O-N 2.91Å |
| 1502 | K | 84.7 | Confident | 73.6 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.8 | 173.2 | 177.2 | -164.9 | 165 | -168.2 | 0 | 108.3 | S1457 Y1459 E1504 I1509 Q1511 | S1457-K1502 PolarHBondContact N-O 2.77Å; S1457-K1502 PolarHBondContact O-N 2.91Å; S1457-K1502 PolarHBondContact OG-O 3.43Å; Y1459-K1502 HydrophobicContact CD2-CB 4.4Å; Y1459-K1502 HydrophobicContact CE2-CB 3.76Å; Y1459-K1502 HydrophobicContact CE2-CD 4.11Å; K1502-E1504 WeakPolarHBondContact CE-OE2 3.48Å; K1502-E1504 IonicContact NZ-OE2 3.55Å; K1502-E1504 PolarHBondContact NZ-OE2 2.86Å; K1502-I1509 HydrophobicContact CD-CG2 4.22Å; K1502-I1509 HydrophobicContact CG-CG2 3.67Å; K1502-Q1511 HydrophobicContact CB-CG 3.97Å; K1502-Q1511 HydrophobicContact CG-CG 4Å |
| 1503 | V | 81.5 | Confident | 73.7 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.024 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.5 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | F1379 L1401 L1454 I1456 I1509 I1510 | F1379-V1503 HydrophobicContact CE1-CG2 3.98Å; F1379-V1503 HydrophobicContact CZ-CB 4.27Å; F1379-V1503 HydrophobicContact CZ-CG2 3.71Å; L1401-V1503 HydrophobicContact CD1-CG1 3.96Å; L1401-V1503 HydrophobicContact CD1-CG2 3.9Å; L1401-V1503 HydrophobicContact CD2-CB 4.19Å; L1401-V1503 HydrophobicContact CD2-CG1 3.87Å; L1401-V1503 HydrophobicContact CD2-CG2 4.06Å; L1401-V1503 HydrophobicContact CG-CG2 4.37Å; L1454-V1503 HydrophobicContact CD1-CG1 4.26Å; L1454-V1503 HydrophobicContact CD2-CG1 4.4Å; I1456-V1503 HydrophobicContact CD1-CG2 4.42Å; I1456-V1503 HydrophobicContact CG1-CG1 4.17Å; I1456-V1503 HydrophobicContact CG1-CG2 4.12Å; I1456-V1503 HydrophobicContact CG2-CG2 4.29Å; V1503-I1509 WeakPolarHBondContact O-CA 3.2Å; V1503-I1510 HydrophobicContact CB-CG1 3.94Å; V1503-I1510 HydrophobicContact CG1-CG1 4.49Å; V1503-I1510 PolarHBondContact N-O 3.28Å; V1503-I1510 PolarHBondContact O-N 2.89Å |
| 1504 | E | 64.2 | Low | 73.7 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 20% | 0.201 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 139.5 | -176.2 | 180 | 161 | -173.1 | 0 | 0 | 110.1 | L1454 Q1455 K1502 I1509 | L1454-E1504 CarbonylContact C-O 3.55Å; L1454-E1504 WeakPolarHBondContact CA-O 3.41Å; Q1455-E1504 HydrophobicContact CB-CB 4.36Å; Q1455-E1504 PolarHBondContact N-O 2.86Å; Q1455-E1504 PolarHBondContact O-N 2.81Å; K1502-E1504 WeakPolarHBondContact CE-OE2 3.48Å; K1502-E1504 IonicContact NZ-OE2 3.55Å; K1502-E1504 PolarHBondContact NZ-OE2 2.86Å; E1504-I1509 HydrophobicContact CB-CG1 4.02Å; E1504-I1509 HydrophobicContact CG-CD1 4.4Å; E1504-I1509 HydrophobicContact CG-CG1 3.72Å |
| 1505 | S | 59.9 | Low | 73.9 | Confident | 34 Ų | 34 | 38 Ų | 38 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 166.6 | 177.7 | 69.4 | 0 | 0 | 0 | 0 | 109 | K1507 G1508 | S1505-K1507 PolarHBondContact O-N 2.86Å; S1505-K1507 PolarHBondContact OG-N 2.67Å; S1505-G1508 PolarHBondContact N-O 2.71Å; S1505-G1508 PolarHBondContact O-N 3.43Å; S1505-G1508 PolarHBondContact OG-N 3Å; S1505-G1508 PolarHBondContact OG-O 2.68Å |
| 1506 | S | 50.6 | Low | 73.8 | Confident | 110 Ų | 110 | 37.5 Ų | 37.5 | 77% | 0.769 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -5.6 | 172.9 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1507 | K | 43.3 | Very low | 73.3 | Confident | 108 Ų | 108 | 36.8 Ų | 36.8 | 47% | 0.47 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | -11.6 | -176.2 | -71 | -84.2 | 158.9 | 154.5 | 0 | 114 | F1263 D1266 S1505 | F1263-K1507 HydrophobicContact CD2-CB 4.47Å; F1263-K1507 HydrophobicContact CD2-CD 4.16Å; F1263-K1507 HydrophobicContact CD2-CG 3.96Å; F1263-K1507 HydrophobicContact CE2-CB 4.16Å; F1263-K1507 HydrophobicContact CE2-CG 3.83Å; D1266-K1507 IonicContact OD1-NZ 3.81Å; D1266-K1507 PolarHBondContact OD1-NZ 2.81Å; D1266-K1507 IonicContact OD2-NZ 3.26Å; D1266-K1507 PolarHBondContact OD2-NZ 3.09Å; S1505-K1507 PolarHBondContact O-N 2.86Å; S1505-K1507 PolarHBondContact OG-N 2.67Å |
| 1508 | G | 45.4 | Very low | 73.1 | Confident | 39 Ų | 39 | 37 Ų | 37 | 40% | 0.402 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | 170.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1505 | S1505-G1508 PolarHBondContact N-O 2.71Å; S1505-G1508 PolarHBondContact O-N 3.43Å; S1505-G1508 PolarHBondContact OG-N 3Å; S1505-G1508 PolarHBondContact OG-O 2.68Å |
| 1509 | I | 60.4 | Low | 72 | Confident | 87 Ų | 87 | 41.2 Ų | 41.2 | 45% | 0.446 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.3 | -179.6 | -63.6 | 162.6 | 0 | 0 | 0 | 108.5 | K1502 V1503 E1504 Q1511 | K1502-I1509 HydrophobicContact CD-CG2 4.22Å; K1502-I1509 HydrophobicContact CG-CG2 3.67Å; V1503-I1509 WeakPolarHBondContact O-CA 3.2Å; E1504-I1509 HydrophobicContact CB-CG1 4.02Å; E1504-I1509 HydrophobicContact CG-CD1 4.4Å; E1504-I1509 HydrophobicContact CG-CG1 3.72Å; I1509-Q1511 HydrophobicContact CG2-CG 4.24Å |
| 1510 | I | 71.2 | Confident | 70 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 144.7 | 167.2 | 58.1 | 179.1 | 0 | 0 | 0 | 109.7 | V1377 F1379 L1401 V1503 | V1377-I1510 HydrophobicContact CG1-CD1 4.17Å; F1379-I1510 HydrophobicContact CD2-CB 4.41Å; F1379-I1510 HydrophobicContact CD2-CD1 4.17Å; F1379-I1510 HydrophobicContact CD2-CG1 4.33Å; F1379-I1510 HydrophobicContact CE2-CB 3.87Å; F1379-I1510 HydrophobicContact CE2-CD1 3.92Å; F1379-I1510 HydrophobicContact CE2-CG1 3.67Å; F1379-I1510 HydrophobicContact CZ-CD1 4.28Å; F1379-I1510 HydrophobicContact CZ-CG1 4.06Å; L1401-I1510 HydrophobicContact CD2-CD1 3.6Å; V1503-I1510 HydrophobicContact CB-CG1 3.94Å; V1503-I1510 HydrophobicContact CG1-CG1 4.49Å; V1503-I1510 PolarHBondContact N-O 3.28Å; V1503-I1510 PolarHBondContact O-N 2.89Å |
| 1511 | Q | 82.4 | Confident | 67.5 | Low | 91 Ų | 91 | 57.7 Ų | 57.7 | 43% | 0.425 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.6 | -179.1 | -71.8 | 178.2 | -24.3 | 0 | 0 | 110.9 | F1379 C1501 K1502 I1509 F1513 | F1379-Q1511 VanDerWaalsContact CE2-C 3.46Å; C1501-Q1511 WeakPolarHBondContact O-CA 3.33Å; K1502-Q1511 HydrophobicContact CB-CG 3.97Å; K1502-Q1511 HydrophobicContact CG-CG 4Å; I1509-Q1511 HydrophobicContact CG2-CG 4.24Å; Q1511-F1513 HydrophobicContact CB-CE2 3.9Å; Q1511-F1513 HydrophobicContact CB-CZ 4.07Å |
| 1512 | T | 79.9 | Confident | 64.6 | Low | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 148.1 | 169.4 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | F1379 E1382 L1383 C1399 C1500 C1501 | F1379-T1512 HydrophobicContact CD1-CG2 3.86Å; F1379-T1512 HydrophobicContact CD2-CG2 4.03Å; F1379-T1512 HydrophobicContact CE1-CG2 3.63Å; F1379-T1512 HydrophobicContact CE2-CG2 3.82Å; F1379-T1512 HydrophobicContact CG-CG2 4.06Å; F1379-T1512 HydrophobicContact CZ-CG2 3.61Å; E1382-T1512 WeakPolarHBondContact CA-OG1 3.23Å; E1382-T1512 WeakPolarHBondContact CB-OG1 3.46Å; E1382-T1512 WeakPolarHBondContact CG-OG1 3.5Å; E1382-T1512 PolarHBondContact OE2-OG1 2.9Å; L1383-T1512 HydrophobicContact CD1-CG2 4.13Å; L1383-T1512 HydrophobicContact CG-CG2 3.82Å; L1383-T1512 PolarHBondContact N-OG1 2.77Å; L1383-T1512 VanDerWaalsContact N-OG1 3.08Å; C1399-T1512 HydrophobicContact CB-CG2 3.9Å; C1500-T1512 WeakPolarHBondContact CA-O 3.31Å; C1501-T1512 HydrophobicContact CB-CG2 4.01Å; C1501-T1512 PolarHBondContact N-O 3.1Å; C1501-T1512 PolarHBondContact O-N 2.91Å |
| 1513 | F | 82 | Confident | 61.8 | Low | 83 Ų | 83 | 68.6 Ų | 68.6 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 143.1 | -166.9 | -60.4 | -92.7 | 0 | 0 | 0 | 111.4 | Y1499 C1500 Q1511 | Y1499-F1513 WeakPolarHBondContact O-CA 3.29Å; C1500-F1513 HydrophobicContact CB-CD1 3.72Å; C1500-F1513 HydrophobicContact CB-CE1 3.78Å; Q1511-F1513 HydrophobicContact CB-CE2 3.9Å; Q1511-F1513 HydrophobicContact CB-CZ 4.07Å |
| 1514 | G | 74.5 | Confident | 59 | Low | 3 Ų | 3 | 72.6 Ų | 72.6 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 146.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1384 Y1499 | P1384-G1514 CarbonylContact O-C 3.56Å; P1384-G1514 WeakPolarHBondContact O-CA 3.36Å; Y1499-G1514 WeakPolarHBondContact CA-O 3.44Å; Y1499-G1514 WeakPolarHBondContact CB-O 3.36Å; Y1499-G1514 PolarHBondContact N-O 2.73Å; Y1499-G1514 PolarHBondContact O-N 2.86Å |
| 1515 | K | 80.5 | Confident | 57.1 | Low | 39 Ų | 39 | 79.2 Ų | 79.2 | 17% | 0.17 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.5 | -171 | -167.4 | -177.8 | -161.2 | 87.5 | 0 | 111.9 | P1384 T1385 L1386 L1387 G1497 D1498 I1517 | P1384-K1515 PolarHBondContact O-N 2.86Å; T1385-K1515 VanDerWaalsContact O-CB 3.31Å; T1385-K1515 WeakPolarHBondContact O-CB 3.42Å; T1385-K1515 PolarHBondContact O-N 3.05Å; T1385-K1515 VanDerWaalsContact O-N 3.11Å; L1386-K1515 CarbonylContact C-O 3.53Å; L1386-K1515 HydrophobicContact CD1-CB 4.4Å; L1386-K1515 HydrophobicContact CD1-CD 4.48Å; L1387-K1515 PolarHBondContact N-O 3.24Å; G1497-K1515 CarbonylContact O-C 3.54Å; G1497-K1515 WeakPolarHBondContact O-CA 3.43Å; D1498-K1515 WeakPolarHBondContact OD1-CD 3.15Å; D1498-K1515 VanDerWaalsContact OD1-CG 3.28Å; D1498-K1515 WeakPolarHBondContact OD1-CG 3.18Å; D1498-K1515 IonicContact OD1-NZ 2.71Å; D1498-K1515 PolarHBondContact OD1-NZ 3.38Å; D1498-K1515 IonicContact OD2-NZ 2.67Å; D1498-K1515 PolarHBondContact OD2-NZ 3.04Å; K1515-I1517 HydrophobicContact CD-CD1 4Å; K1515-I1517 HydrophobicContact CD-CG1 3.98Å; K1515-I1517 HydrophobicContact CG-CG1 4.13Å |
| 1516 | I | 83.8 | Confident | 55.5 | Low | 0 Ų | 0 | 86.4 Ų | 86.4 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 122.9 | 164.8 | -61.6 | -176.3 | 0 | 0 | 0 | 108.3 | L1387 V1389 T1395 M1397 I1488 V1491 G1497 Y1499 | L1387-I1516 WeakPolarHBondContact O-CA 3.44Å; V1389-I1516 HydrophobicContact CB-CG2 4.31Å; V1389-I1516 HydrophobicContact CG2-CG2 3.98Å; T1395-I1516 HydrophobicContact CG2-CD1 3.76Å; M1397-I1516 HydrophobicContact SD-CD1 3.87Å; M1397-I1516 HydrophobicContact SD-CG1 3.77Å; I1488-I1516 HydrophobicContact CD1-CD1 3.66Å; V1491-I1516 HydrophobicContact CG1-CG2 4.18Å; G1497-I1516 PolarHBondContact N-O 3.49Å; G1497-I1516 PolarHBondContact O-N 2.77Å; Y1499-I1516 HydrophobicContact CD2-CB 4.42Å; Y1499-I1516 HydrophobicContact CD2-CD1 4.14Å; Y1499-I1516 HydrophobicContact CD2-CG1 3.93Å; Y1499-I1516 HydrophobicContact CE2-CB 3.89Å; Y1499-I1516 HydrophobicContact CE2-CD1 3.46Å; Y1499-I1516 VanDerWaalsContact CE2-CD1 3.46Å; Y1499-I1516 HydrophobicContact CE2-CG1 3.58Å |
| 1517 | I | 74.3 | Confident | 54.2 | Low | 34 Ų | 34 | 89.6 Ų | 89.6 | 17% | 0.174 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.9 | 166.3 | -69.2 | -170.8 | 0 | 0 | 0 | 108.7 | L1386 L1387 E1388 V1389 K1515 | L1386-I1517 HydrophobicContact CD1-CB 3.93Å; L1386-I1517 HydrophobicContact CD1-CD1 3.58Å; L1386-I1517 HydrophobicContact CD1-CG1 3.58Å; L1387-I1517 PolarHBondContact O-N 2.83Å; E1388-I1517 WeakPolarHBondContact CA-O 3.39Å; V1389-I1517 PolarHBondContact N-O 3.47Å; K1515-I1517 HydrophobicContact CD-CD1 4Å; K1515-I1517 HydrophobicContact CD-CG1 3.98Å; K1515-I1517 HydrophobicContact CG-CG1 4.13Å |
| 1518 | L | 74 | Confident | 53.5 | Low | 9 Ų | 9 | 90.8 Ų | 90.8 | 5% | 0.047 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130.8 | 167.9 | -84.9 | 179.3 | 0 | 0 | 0 | 110.5 | V1389 K1391 V1491 L1493 R1520 | V1389-L1518 CarbonylContact O-C 3.52Å; V1389-L1518 VanDerWaalsContact O-CA 3.28Å; V1389-L1518 WeakPolarHBondContact O-CA 3.36Å; K1391-L1518 HydrophobicContact CB-CD2 3.92Å; V1491-L1518 HydrophobicContact CG1-CD2 3.78Å; L1493-L1518 HydrophobicContact CB-CD1 4.23Å; L1493-L1518 HydrophobicContact CD2-CD1 3.68Å; L1493-L1518 HydrophobicContact CG-CD1 3.62Å; L1518-R1520 PolarHBondContact O-N 3.08Å |
| 1519 | K | 57.5 | Low | 53 | Low | 118 Ų | 118 | 92 Ų | 92 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | trans | -63.9 | 100.4 | 163.9 | -68.8 | -169.9 | 174.6 | -172.3 | 0 | 108.7 | E1388 V1389 | E1388-K1519 HydrophobicContact CB-CD 4.38Å; E1388-K1519 VanDerWaalsContact CB-CE 3.45Å; E1388-K1519 HydrophobicContact CB-CG 3.96Å; E1388-K1519 VanDerWaalsContact OE2-CE 3.3Å; E1388-K1519 WeakPolarHBondContact OE2-CE 3.27Å; V1389-K1519 PolarHBondContact O-N 3.17Å | ||
| 1520 | R | 45.6 | Very low | 52 | Low | 172 Ų | 172 | 91.5 Ų | 91.5 | 65% | 0.649 | 45% | 0.454 | S | S | * | . | trans | -85.2 | 125.4 | 174 | -62.3 | 176 | -172.3 | -176.4 | 1.8 | 107.8 | E1496 L1518 | E1496-R1520 IonicContact OE1-CZ 3.46Å; E1496-R1520 IonicContact OE1-NH2 4Å; E1496-R1520 PolarHBondContact OE1-NH2 2.96Å; E1496-R1520 IonicContact OE2-CZ 3.45Å; E1496-R1520 IonicContact OE2-NE 2.72Å; E1496-R1520 PolarHBondContact OE2-NE 3.02Å; E1496-R1520 IonicContact OE2-NH2 3.2Å; E1496-R1520 PolarHBondContact OE2-NH2 2.94Å; L1518-R1520 PolarHBondContact O-N 3.08Å | ||
| 1521 | E | 34 | Very low | 51.2 | Low | 178 Ų | 178 | 89.9 Ų | 89.9 | 83% | 0.832 | 45% | 0.449 | S | S | * | . | trans | -59.7 | 125.6 | 175 | -67.8 | 178.8 | 168.4 | 0 | 0 | 109.5 | T1523 | E1521-T1523 PolarHBondContact O-N 3.44Š| ||
| 1522 | P | 27.3 | Very low | 50.7 | Low | 100 Ų | 100 | 85.9 Ų | 85.9 | 65% | 0.649 | 43% | 0.431 | S | S | * | . | trans | -75.6 | 103.2 | -171.4 | 28.1 | -33.9 | 0 | 0 | 0 | 110.6 | S1524 | P1522-S1524 PolarHBondContact O-N 3.34Š| ||
| 1523 | T | 25.7 | Very low | 50.4 | Low | 138 Ų | 138 | 89.4 Ų | 89.4 | 85% | 0.847 | 45% | 0.447 | S | S | * | . | trans | -71.2 | 67.5 | 171.9 | 41.2 | 0 | 0 | 0 | 0 | 112.2 | E1521 | E1521-T1523 PolarHBondContact O-N 3.44Š| ||
| 1524 | S | 23.6 | Very low | 50.2 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 62% | 0.615 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 76.3 | 127.6 | 165.8 | 79.1 | 0 | 0 | 0 | 0 | 119 | P1522 | P1522-S1524 PolarHBondContact O-N 3.34Š|
| 1525 | F | 23.3 | Very low | 50 | Low | 182 Ų | 182 | 91 Ų | 91 | 80% | 0.798 | 46% | 0.457 | S | S | * | . | trans | 68.9 | 83.5 | 156.4 | -54.5 | -62.1 | 0 | 0 | 0 | 121.6 | ||||
| 1526 | K | 25.4 | Very low | 49.2 | Very low | 184 Ų | 184 | 92 Ų | 92 | 80% | 0.8 | 48% | 0.478 | S | S | * | . | 168.2 | 100.7 | 95.9 | -90.5 | 165.6 | -178.2 | 171.2 | 0 | 115.1 | |||||
| 1527 | F | 25 | Very low | 48.3 | Very low | 178 Ų | 178 | 99.4 Ų | 99.4 | 78% | 0.781 | 51% | 0.513 | S | S | * | . | trans | 37 | 98.4 | 146 | -56 | -76.5 | 0 | 0 | 0 | 121.6 | ||||
| 1528 | T | 28 | Very low | 48.6 | Very low | 132 Ų | 132 | 98 Ų | 98 | 81% | 0.81 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -148 | 119.4 | 138.9 | 46.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1529 | N | 33.9 | Very low | 48.9 | Very low | 65 Ų | 65 | 102.3 Ų | 102.3 | 35% | 0.348 | 53% | 0.528 | S | S | . | . | trans | 17.6 | 90.6 | 173.7 | -63.7 | 8.8 | 0 | 0 | 0 | 118.7 | H172 | H172-N1529 PolarHBondContact CE1-OD1 2.87Å; H172-N1529 PolarHBondContact NE2-ND2 3.28Å; H172-N1529 PolarHBondContact NE2-OD1 3.2Å | ||
| 1530 | D | 40.9 | Very low | 50.2 | Low | 77 Ų | 77 | 100.4 Ų | 100.4 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | trans | -88.6 | 147.4 | 164.8 | -78.6 | -57.9 | 0 | 0 | 0 | 111.9 | K1533 N1560 | D1530-K1533 VanDerWaalsContact CG-CE 3.48Å; D1530-K1533 VanDerWaalsContact OD1-CE 3.28Å; D1530-K1533 WeakPolarHBondContact OD1-CE 3.46Å; D1530-K1533 IonicContact OD1-NZ 2.69Å; D1530-K1533 PolarHBondContact OD1-NZ 3.48Å; D1530-K1533 IonicContact OD2-NZ 3.72Å; D1530-K1533 PolarHBondContact OD2-NZ 3.21Å; D1530-N1560 PolarHBondContact N-ND2 3.48Å; D1530-N1560 PolarHBondContact O-ND2 3.33Å | ||
| 1531 | G | 52.8 | Low | 51.8 | Low | 16 Ų | 16 | 95.8 Ų | 95.8 | 17% | 0.165 | 51% | 0.514 | C | S | . | . | trans | -75.8 | -170.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1532 | P | 72.3 | Confident | 53.4 | Low | 8 Ų | 8 | 89.1 Ų | 89.1 | 5% | 0.052 | 49% | 0.486 | C | S | . | . | trans | -66.8 | 139.9 | -174.8 | 28 | -36.5 | 0 | 0 | 0 | 112 | T1558 P1563 L1609 D1611 G1614 V1616 | P1532-T1558 CarbonylContact C-O 3.52Å; P1532-T1558 WeakPolarHBondContact CA-O 3.18Å; P1532-P1563 HydrophobicContact CB-CB 4.48Å; P1532-L1609 HydrophobicContact CB-CB 4.18Å; P1532-L1609 HydrophobicContact CG-CB 4.44Å; P1532-D1611 WeakPolarHBondContact CD-OD1 3.44Å; P1532-D1611 HydrophobicContact CG-CB 4.24Å; P1532-G1614 WeakPolarHBondContact CD-O 3.2Å; P1532-G1614 WeakPolarHBondContact CG-O 3.41Å; P1532-V1616 HydrophobicContact CB-CG1 3.84Å; P1532-V1616 HydrophobicContact CG-CG1 4.01Å; P1532-V1616 WeakPolarHBondContact O-CB 3.48Å; P1532-V1616 VanDerWaalsContact O-CG1 3.29Å; P1532-V1616 WeakPolarHBondContact O-CG1 3.34Å | ||
| 1533 | K | 73.1 | Confident | 55.3 | Low | 74 Ų | 74 | 89.3 Ų | 89.3 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127.5 | 178.2 | -65.3 | 175.9 | -179.6 | 175.6 | 0 | 109.7 | D1530 Y1557 T1558 | D1530-K1533 VanDerWaalsContact CG-CE 3.48Å; D1530-K1533 VanDerWaalsContact OD1-CE 3.28Å; D1530-K1533 WeakPolarHBondContact OD1-CE 3.46Å; D1530-K1533 IonicContact OD1-NZ 2.69Å; D1530-K1533 PolarHBondContact OD1-NZ 3.48Å; D1530-K1533 IonicContact OD2-NZ 3.72Å; D1530-K1533 PolarHBondContact OD2-NZ 3.21Å; K1533-Y1557 CarbonylContact O-C 3.48Å; K1533-Y1557 WeakPolarHBondContact O-CA 3.43Å; K1533-T1558 PolarHBondContact N-O 3.02Å; K1533-T1558 PolarHBondContact O-N 3.44Å |
| 1534 | I | 78.6 | Confident | 57 | Low | 37 Ų | 37 | 86.8 Ų | 86.8 | 19% | 0.19 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 147.5 | 175.5 | -63.5 | 169.4 | 0 | 0 | 0 | 109.6 | V1555 N1556 V1607 L1609 V1616 E1618 | I1534-V1555 HydrophobicContact CD1-CG1 4.3Å; I1534-V1555 HydrophobicContact CG1-CG1 4.2Å; I1534-V1555 HydrophobicContact CG2-CG1 3.68Å; I1534-N1556 CarbonylContact C-O 3.58Å; I1534-N1556 WeakPolarHBondContact CA-O 3.37Å; I1534-N1556 WeakPolarHBondContact CG2-O 3.46Å; I1534-V1607 HydrophobicContact CD1-CG1 3.93Å; I1534-L1609 HydrophobicContact CD1-CD1 4.27Å; I1534-L1609 HydrophobicContact CG1-CD1 3.77Å; I1534-V1616 HydrophobicContact CD1-CG1 4.14Å; I1534-V1616 HydrophobicContact CD1-CG2 4.14Å; I1534-V1616 HydrophobicContact CG1-CG1 3.92Å; I1534-V1616 HydrophobicContact CG1-CG2 4.2Å; I1534-E1618 HydrophobicContact CD1-CB 3.73Å; I1534-E1618 VanDerWaalsContact CG2-OE2 3.28Å; I1534-E1618 WeakPolarHBondContact CG2-OE2 3.38Å |
| 1535 | I | 70.9 | Confident | 59.5 | Low | 82 Ų | 82 | 82.8 Ų | 82.8 | 42% | 0.421 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 106.1 | -171.8 | -40 | 165.4 | 0 | 0 | 0 | 110.4 | N1556 T1558 | I1535-N1556 HydrophobicContact CB-CB 4.1Å; I1535-N1556 HydrophobicContact CD1-CB 4.41Å; I1535-N1556 PolarHBondContact N-O 2.98Å; I1535-T1558 HydrophobicContact CD1-CG2 3.69Å; I1535-T1558 HydrophobicContact CG1-CG2 4.43Å |
| 1536 | G | 62.2 | Low | 62.1 | Low | 60 Ų | 60 | 75.9 Ų | 75.9 | 62% | 0.619 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 79.2 | -176.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1537 | E | 65.6 | Low | 64.5 | Low | 155 Ų | 155 | 69.3 Ų | 69.3 | 72% | 0.724 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 155.5 | 179.9 | -56.8 | 178.9 | 168.3 | 0 | 0 | 112.2 | L1539 E1618 | E1537-L1539 PolarHBondContact O-N 3.37Å; E1537-E1618 WeakPolarHBondContact CA-OE1 3.32Å |
| 1538 | I | 80.3 | Confident | 67 | Low | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 107.4 | 167.6 | -47.5 | -167.8 | 0 | 0 | 0 | 110.9 | K1540 L1553 V1555 W1567 V1607 E1618 I1620 | I1538-K1540 PolarHBondContact O-N 3.36Å; I1538-L1553 HydrophobicContact CG2-CB 3.95Å; I1538-V1555 HydrophobicContact CB-CG2 4.41Å; I1538-V1555 HydrophobicContact CD1-CG2 4.26Å; I1538-V1555 HydrophobicContact CG1-CG2 4.06Å; I1538-V1555 HydrophobicContact CG2-CG2 3.92Å; I1538-W1567 HydrophobicContact CG2-CH2 4.3Å; I1538-V1607 HydrophobicContact CD1-CG1 4.04Å; I1538-E1618 HydrophobicContact CD1-CB 4.2Å; I1538-E1618 HydrophobicContact CD1-CG 4.15Å; I1538-E1618 HydrophobicContact CG1-CB 4.4Å; I1538-E1618 HydrophobicContact CG1-CG 3.99Å; I1538-E1618 WeakPolarHBondContact CG1-OE2 3.32Å; I1538-E1618 PolarHBondContact N-OE1 3.28Å; I1538-E1618 VanDerWaalsContact N-OE1 3.16Å; I1538-I1620 HydrophobicContact CB-CB 4.13Å; I1538-I1620 HydrophobicContact CB-CD1 4.11Å; I1538-I1620 HydrophobicContact CB-CG2 4.13Å; I1538-I1620 HydrophobicContact CD1-CB 4.07Å; I1538-I1620 HydrophobicContact CD1-CG2 3.88Å; I1538-I1620 HydrophobicContact CG1-CB 4.41Å; I1538-I1620 HydrophobicContact CG1-CG2 4.49Å; I1538-I1620 HydrophobicContact CG2-CB 4.49Å; I1538-I1620 HydrophobicContact CG2-CD1 4.42Å; I1538-I1620 HydrophobicContact CG2-CG2 3.95Å; I1538-I1620 WeakPolarHBondContact O-CD1 3.19Å |
| 1539 | L | 80.2 | Confident | 69.4 | Low | 98 Ų | 98 | 63.5 Ų | 63.5 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 111.4 | 179.5 | -58.9 | 176.8 | 0 | 0 | 0 | 110.3 | E1537 L1553 T1554 | E1537-L1539 PolarHBondContact O-N 3.37Å; L1539-L1553 CarbonylContact O-C 3.52Å; L1539-L1553 WeakPolarHBondContact O-CA 3.46Å; L1539-T1554 PolarHBondContact N-O 3.06Å; L1539-T1554 PolarHBondContact O-N 3.4Å |
| 1540 | K | 84.6 | Confident | 71.5 | Confident | 79 Ų | 79 | 63 Ų | 63 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.2 | 172.7 | 48.6 | 168.1 | 170.6 | 168.2 | 0 | 112.2 | I1538 N1543 T1552 L1553 I1620 I1622 | I1538-K1540 PolarHBondContact O-N 3.36Å; K1540-N1543 HydrophobicContact CD-CB 4.2Å; K1540-N1543 VanDerWaalsContact CE-OD1 3.26Å; K1540-N1543 WeakPolarHBondContact CE-OD1 3.37Å; K1540-N1543 HydrophobicContact CG-CB 4.25Å; K1540-N1543 PolarHBondContact NZ-OD1 2.98Å; K1540-T1552 WeakPolarHBondContact CA-O 3.44Å; K1540-L1553 HydrophobicContact CB-CD2 3.86Å; K1540-I1620 HydrophobicContact CB-CD1 4.16Å; K1540-I1620 HydrophobicContact CD-CD1 3.91Å; K1540-I1620 HydrophobicContact CG-CD1 3.87Å; K1540-I1622 HydrophobicContact CB-CD1 4.32Å; K1540-I1622 HydrophobicContact CD-CD1 4.23Å |
| 1541 | S | 79.3 | Confident | 73.7 | Confident | 74 Ų | 74 | 59.3 Ų | 59.3 | 52% | 0.517 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.3 | 173 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | T1552 | S1541-T1552 PolarHBondContact N-O 2.98Å; S1541-T1552 PolarHBondContact O-N 3.49Å |
| 1542 | P | 69.5 | Low | 75.4 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 25% | 0.247 | 34% | 0.34 | C | S | . | . | S | Bend | cis | -69.1 | 174 | -6.5 | 30.6 | -35.2 | 0 | 0 | 0 | 112.6 | I1545 Q1549 C1550 | P1542-I1545 HydrophobicContact CG-CG1 4.34Å; P1542-I1545 WeakPolarHBondContact O-CG1 3.44Å; P1542-Q1549 HydrophobicContact CG-CB 4.21Å; P1542-C1550 WeakPolarHBondContact CD-O 3.42Å |
| 1543 | N | 65.9 | Low | 76.2 | Confident | 104 Ų | 104 | 60 Ų | 60 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -152.7 | 115.5 | 172.8 | -179.7 | 46.1 | 0 | 0 | 0 | 109.1 | K1540 | K1540-N1543 HydrophobicContact CD-CB 4.2Å; K1540-N1543 VanDerWaalsContact CE-OD1 3.26Å; K1540-N1543 WeakPolarHBondContact CE-OD1 3.37Å; K1540-N1543 HydrophobicContact CG-CB 4.25Å; K1540-N1543 PolarHBondContact NZ-OD1 2.98Å |
| 1544 | P | 61.7 | Low | 76.9 | Confident | 86 Ų | 86 | 57.4 Ų | 57.4 | 56% | 0.558 | 33% | 0.328 | S | S | * | . | S | Bend | cis | -66.3 | 165 | -2.9 | 31.4 | -37.2 | 0 | 0 | 0 | 112.8 | K1625 | P1544-K1625 HydrophobicContact CB-CD 4.41Š|
| 1545 | I | 76.3 | Confident | 77.2 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.6 | -179 | -57.1 | 151.8 | 0 | 0 | 0 | 107.8 | P1542 L1551 T1597 I1622 V1624 K1625 | P1542-I1545 HydrophobicContact CG-CG1 4.34Å; P1542-I1545 WeakPolarHBondContact O-CG1 3.44Å; I1545-L1551 HydrophobicContact CD1-CD1 3.47Å; I1545-L1551 VanDerWaalsContact CD1-CD1 3.47Å; I1545-L1551 HydrophobicContact CD1-CD2 4.14Å; I1545-L1551 HydrophobicContact CD1-CG 4.34Å; I1545-L1551 HydrophobicContact CG1-CD1 4.08Å; I1545-T1597 HydrophobicContact CG2-CG2 3.94Å; I1545-I1622 HydrophobicContact CD1-CD1 4.08Å; I1545-I1622 HydrophobicContact CD1-CG2 3.82Å; I1545-V1624 HydrophobicContact CG2-CG2 4.3Å; I1545-K1625 PolarHBondContact O-N 2.81Å |
| 1546 | T | 78.4 | Confident | 77.9 | Confident | 37 Ų | 37 | 54 Ų | 54 | 23% | 0.227 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 170.2 | 170.1 | 70.7 | 0 | 0 | 0 | 0 | 111.7 | Q1549 T1597 K1625 | T1546-Q1549 WeakPolarHBondContact OG1-CG 3.46Å; T1546-Q1549 PolarHBondContact OG1-NE2 3.3Å; T1546-Q1549 PolarHBondContact OG1-OE1 3.32Å; T1546-T1597 PolarHBondContact O-OG1 2.91Å; T1546-K1625 WeakPolarHBondContact CA-O 3.33Å; T1546-K1625 WeakPolarHBondContact CB-O 3.5Å |
| 1547 | I | 75.5 | Confident | 79 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 145.3 | 169 | -59.1 | 174.7 | 0 | 0 | 0 | 110.3 | Q1549 T1597 P1599 V1624 K1625 Q1626 | I1547-Q1549 VanDerWaalsContact C-N 3.32Å; I1547-Q1549 PolarHBondContact O-N 3.36Å; I1547-T1597 CarbonylContact C-O 3.49Å; I1547-T1597 VanDerWaalsContact CA-O 3.3Å; I1547-T1597 WeakPolarHBondContact CA-O 3.44Å; I1547-P1599 HydrophobicContact CD1-CG 3.72Å; I1547-P1599 HydrophobicContact CG1-CG 4.14Å; I1547-V1624 HydrophobicContact CG1-CG1 3.98Å; I1547-K1625 PolarHBondContact N-O 3.44Å; I1547-Q1626 HydrophobicContact CD1-CB 3.85Å; I1547-Q1626 HydrophobicContact CD1-CG 3.76Å |
| 1548 | N | 77.2 | Confident | 79.5 | Confident | 121 Ų | 121 | 47.5 Ų | 47.5 | 65% | 0.647 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 34.3 | -179.7 | -59.3 | -8.9 | 0 | 0 | 0 | 114.5 | T1597 | N1548-T1597 PolarHBondContact N-O 3.15Š|
| 1549 | Q | 77.7 | Confident | 79 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | trans | -103.1 | 166.9 | 167.2 | -71 | -173.7 | -33.4 | 0 | 0 | 110.7 | P1542 T1546 I1547 D1596 T1597 | P1542-Q1549 HydrophobicContact CG-CB 4.21Å; T1546-Q1549 WeakPolarHBondContact OG1-CG 3.46Å; T1546-Q1549 PolarHBondContact OG1-NE2 3.3Å; T1546-Q1549 PolarHBondContact OG1-OE1 3.32Å; I1547-Q1549 VanDerWaalsContact C-N 3.32Å; I1547-Q1549 PolarHBondContact O-N 3.36Å; Q1549-D1596 PolarHBondContact O-N 3.3Å; Q1549-T1597 PolarHBondContact N-OG1 3.48Å; Q1549-T1597 WeakPolarHBondContact O-CG2 3.4Å; Q1549-T1597 PolarHBondContact O-N 3.09Å; Q1549-T1597 PolarHBondContact O-OG1 3.01Å; Q1549-T1597 VanDerWaalsContact O-OG1 3.05Å | ||
| 1550 | C | 79.6 | Confident | 77.9 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 37% | 0.365 | 27% | 0.271 | S | S | . | . | trans | -96.8 | 108 | 172.1 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | P1542 T1593 I1594 F1595 | P1542-C1550 WeakPolarHBondContact CD-O 3.42Å; C1550-T1593 WeakPolarHBondContact SG-CG2 3.31Å; C1550-I1594 CarbonylContact C-O 3.58Å; C1550-I1594 WeakPolarHBondContact CA-O 3.37Å; C1550-F1595 VanDerWaalsContact SG-CD1 3.52Å | ||
| 1551 | L | 86.2 | Confident | 77 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 125.4 | 176.5 | 171 | 58.1 | 0 | 0 | 0 | 109.6 | I1545 L1553 T1593 I1594 T1597 I1622 | I1545-L1551 HydrophobicContact CD1-CD1 3.47Å; I1545-L1551 VanDerWaalsContact CD1-CD1 3.47Å; I1545-L1551 HydrophobicContact CD1-CD2 4.14Å; I1545-L1551 HydrophobicContact CD1-CG 4.34Å; I1545-L1551 HydrophobicContact CG1-CD1 4.08Å; L1551-L1553 HydrophobicContact CD1-CD2 3.67Å; L1551-L1553 HydrophobicContact CD1-CG 4.37Å; L1551-L1553 HydrophobicContact CD2-CD2 4.28Å; L1551-L1553 HydrophobicContact CD2-CG 4.49Å; L1551-L1553 HydrophobicContact CG-CD2 4.08Å; L1551-L1553 HydrophobicContact CG-CG 4.29Å; L1551-T1593 CarbonylContact O-C 3.54Å; L1551-T1593 VanDerWaalsContact O-CA 3.31Å; L1551-T1593 WeakPolarHBondContact O-CA 3.44Å; L1551-I1594 HydrophobicContact CB-CB 4.41Å; L1551-I1594 HydrophobicContact CD2-CD1 4.48Å; L1551-I1594 PolarHBondContact N-O 3Å; L1551-I1594 PolarHBondContact O-N 3.49Å; L1551-T1597 HydrophobicContact CB-CG2 3.53Å; L1551-I1622 HydrophobicContact CD2-CD1 4.38Å; L1551-I1622 HydrophobicContact CD2-CG1 4.27Å; L1551-I1622 HydrophobicContact CD2-CG2 3.62Å |
| 1552 | T | 87.8 | Confident | 76.5 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 23% | 0.233 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.8 | 171.4 | -56.4 | 0 | 0 | 0 | 0 | 109.1 | K1540 S1541 T1591 L1592 | K1540-T1552 WeakPolarHBondContact CA-O 3.44Å; S1541-T1552 PolarHBondContact N-O 2.98Å; S1541-T1552 PolarHBondContact O-N 3.49Å; T1552-T1591 HydrophobicContact CG2-CG2 3.44Å; T1552-T1591 VanDerWaalsContact CG2-CG2 3.44Å; T1552-L1592 WeakPolarHBondContact CA-O 3.38Å |
| 1553 | L | 90.3 | Very high | 76.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.8 | 169.5 | -54.4 | -175.5 | 0 | 0 | 0 | 108.4 | I1538 L1539 K1540 L1551 W1567 T1591 L1592 Y1605 I1620 I1622 | I1538-L1553 HydrophobicContact CG2-CB 3.95Å; L1539-L1553 CarbonylContact O-C 3.52Å; L1539-L1553 WeakPolarHBondContact O-CA 3.46Å; K1540-L1553 HydrophobicContact CB-CD2 3.86Å; L1551-L1553 HydrophobicContact CD1-CD2 3.67Å; L1551-L1553 HydrophobicContact CD1-CG 4.37Å; L1551-L1553 HydrophobicContact CD2-CD2 4.28Å; L1551-L1553 HydrophobicContact CD2-CG 4.49Å; L1551-L1553 HydrophobicContact CG-CD2 4.08Å; L1551-L1553 HydrophobicContact CG-CG 4.29Å; L1553-W1567 HydrophobicContact CB-CH2 3.74Å; L1553-W1567 HydrophobicContact CB-CZ3 4.17Å; L1553-W1567 HydrophobicContact CD1-CH2 4.26Å; L1553-W1567 HydrophobicContact CD1-CZ3 3.81Å; L1553-T1591 CarbonylContact O-C 3.5Å; L1553-T1591 WeakPolarHBondContact O-CA 3.47Å; L1553-L1592 HydrophobicContact CB-CB 4.41Å; L1553-L1592 HydrophobicContact CD1-CD2 4.37Å; L1553-L1592 PolarHBondContact N-O 3.43Å; L1553-L1592 PolarHBondContact O-N 3.46Å; L1553-Y1605 HydrophobicContact CD1-CD1 3.97Å; L1553-Y1605 HydrophobicContact CD1-CG 3.82Å; L1553-I1620 HydrophobicContact CD1-CG2 4.1Å; L1553-I1620 HydrophobicContact CD2-CG2 4.43Å; L1553-I1622 HydrophobicContact CD2-CD1 3.68Å; L1553-I1622 HydrophobicContact CD2-CG1 4.31Å |
| 1554 | T | 86.6 | Confident | 77.4 | Confident | 20 Ų | 20 | 48 Ų | 48 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.7 | -176.5 | -50.9 | 0 | 0 | 0 | 0 | 111.4 | L1539 Q1589 C1590 | L1539-T1554 PolarHBondContact N-O 3.06Å; L1539-T1554 PolarHBondContact O-N 3.4Å; T1554-Q1589 HydrophobicContact CG2-CG 3.39Å; T1554-C1590 WeakPolarHBondContact CA-O 3.28Å |
| 1555 | V | 85.9 | Confident | 78.6 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 121.8 | -171.6 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | I1534 I1538 W1567 Q1589 C1590 V1607 | I1534-V1555 HydrophobicContact CD1-CG1 4.3Å; I1534-V1555 HydrophobicContact CG1-CG1 4.2Å; I1534-V1555 HydrophobicContact CG2-CG1 3.68Å; I1538-V1555 HydrophobicContact CB-CG2 4.41Å; I1538-V1555 HydrophobicContact CD1-CG2 4.26Å; I1538-V1555 HydrophobicContact CG1-CG2 4.06Å; I1538-V1555 HydrophobicContact CG2-CG2 3.92Å; V1555-W1567 HydrophobicContact CG2-CH2 3.55Å; V1555-W1567 HydrophobicContact CG2-CZ2 3.68Å; V1555-Q1589 CarbonylContact O-C 3.56Å; V1555-Q1589 VanDerWaalsContact O-CA 3.31Å; V1555-Q1589 WeakPolarHBondContact O-CA 3.42Å; V1555-C1590 PolarHBondContact N-O 3.14Å; V1555-C1590 PolarHBondContact O-N 3.32Å; V1555-V1607 HydrophobicContact CG1-CG1 4.03Å; V1555-V1607 HydrophobicContact CG2-CB 4.29Å; V1555-V1607 HydrophobicContact CG2-CG1 3.97Å; V1555-V1607 HydrophobicContact CG2-CG2 4.36Å |
| 1556 | N | 85.3 | Confident | 79 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 146.1 | 173.8 | -49.2 | -57.1 | 0 | 0 | 0 | 109.7 | I1534 I1535 N1588 Q1589 | I1534-N1556 CarbonylContact C-O 3.58Å; I1534-N1556 WeakPolarHBondContact CA-O 3.37Å; I1534-N1556 WeakPolarHBondContact CG2-O 3.46Å; I1535-N1556 HydrophobicContact CB-CB 4.1Å; I1535-N1556 HydrophobicContact CD1-CB 4.41Å; I1535-N1556 PolarHBondContact N-O 2.98Å; N1556-N1588 CarbonylContact C-O 3.32Å; N1556-N1588 WeakPolarHBondContact CA-O 3.45Å; N1556-Q1589 PolarHBondContact OD1-NE2 3.38Å |
| 1557 | Y | 84.8 | Confident | 79.6 | Confident | 11 Ų | 11 | 44.9 Ų | 44.9 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 141.4 | -178.6 | 66 | -89.9 | 0 | 0 | 0 | 113 | K1533 P1563 I1565 T1585 N1588 C1590 L1609 | K1533-Y1557 CarbonylContact O-C 3.48Å; K1533-Y1557 WeakPolarHBondContact O-CA 3.43Å; Y1557-P1563 HydrophobicContact CD2-CG 4Å; Y1557-P1563 HydrophobicContact CE2-CG 3.62Å; Y1557-I1565 HydrophobicContact CE1-CD1 4.17Å; Y1557-T1585 WeakPolarHBondContact OH-CG2 3.47Å; Y1557-N1588 PolarHBondContact N-O 3.04Å; Y1557-N1588 WeakPolarHBondContact O-CB 3.34Å; Y1557-N1588 VanDerWaalsContact O-CG 3.3Å; Y1557-N1588 PolarHBondContact O-ND2 3.27Å; Y1557-C1590 HydrophobicContact CE1-CB 4.28Å; Y1557-L1609 VanDerWaalsContact CB-CD1 3.45Å; Y1557-L1609 HydrophobicContact CD1-CD1 4.07Å; Y1557-L1609 HydrophobicContact CD2-CD1 4.24Å; Y1557-L1609 HydrophobicContact CG-CD1 3.67Å |
| 1558 | T | 76 | Confident | 80.1 | Confident | 66 Ų | 66 | 43.6 Ų | 43.6 | 41% | 0.405 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 147.5 | 161.7 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | P1532 K1533 I1535 | P1532-T1558 CarbonylContact C-O 3.52Å; P1532-T1558 WeakPolarHBondContact CA-O 3.18Å; K1533-T1558 PolarHBondContact N-O 3.02Å; K1533-T1558 PolarHBondContact O-N 3.44Å; I1535-T1558 HydrophobicContact CD1-CG2 3.69Å; I1535-T1558 HydrophobicContact CG1-CG2 4.43Å |
| 1559 | S | 69.6 | Low | 80.6 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | trans | -159 | 152.9 | 172.9 | -169 | 0 | 0 | 0 | 0 | 109.6 | S1561 D1611 | S1559-S1561 WeakPolarHBondContact CB-O 3.32Å; S1559-S1561 PolarHBondContact OG-O 3.5Å; S1559-D1611 PolarHBondContact OG-OD2 2.86Å | ||
| 1560 | N | 58.8 | Low | 80.8 | Confident | 74 Ų | 74 | 40.5 Ų | 40.5 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -85.8 | -19.6 | 174.1 | -80.1 | -76.8 | 0 | 0 | 0 | 113 | R176 D1530 | R176-N1560 PolarHBondContact NH2-OD1 3.42Å; D1530-N1560 PolarHBondContact N-ND2 3.48Å; D1530-N1560 PolarHBondContact O-ND2 3.33Å |
| 1561 | S | 65.3 | Low | 80.4 | Confident | 43 Ų | 43 | 43.7 Ų | 43.7 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -127.3 | 164.6 | 165.5 | 80.6 | 0 | 0 | 0 | 0 | 111 | S1559 P1563 D1611 | S1559-S1561 WeakPolarHBondContact CB-O 3.32Å; S1559-S1561 PolarHBondContact OG-O 3.5Å; S1561-P1563 VanDerWaalsContact O-CD 3.27Å; S1561-P1563 WeakPolarHBondContact O-CD 3.27Å; S1561-D1611 WeakPolarHBondContact CB-OD2 3.11Å; S1561-D1611 PolarHBondContact N-OD2 3.02Å; S1561-D1611 WeakPolarHBondContact OG-CB 3.35Å; S1561-D1611 VanDerWaalsContact OG-CG 3.29Å; S1561-D1611 PolarHBondContact OG-OD2 2.97Å |
| 1562 | I | 68.4 | Low | 79.8 | Confident | 159 Ų | 159 | 50.9 Ų | 50.9 | 82% | 0.815 | 27% | 0.265 | S | S | * | . | trans | -71.8 | 115.1 | 179 | -58.6 | 175.7 | 0 | 0 | 0 | 108.3 | ||||
| 1563 | P | 74.5 | Confident | 79.4 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | trans | -76.4 | 147.2 | -176.1 | 31.7 | -34.2 | 0 | 0 | 0 | 111.8 | P1532 Y1557 S1561 I1565 L1609 N1610 D1611 | P1532-P1563 HydrophobicContact CB-CB 4.48Å; Y1557-P1563 HydrophobicContact CD2-CG 4Å; Y1557-P1563 HydrophobicContact CE2-CG 3.62Å; S1561-P1563 VanDerWaalsContact O-CD 3.27Å; S1561-P1563 WeakPolarHBondContact O-CD 3.27Å; P1563-I1565 WeakPolarHBondContact O-CG1 3.48Å; P1563-I1565 PolarHBondContact O-N 3.02Å; P1563-L1609 HydrophobicContact CB-CB 4.03Å; P1563-L1609 HydrophobicContact CG-CB 4.26Å; P1563-L1609 HydrophobicContact CG-CD2 4.38Å; P1563-N1610 CarbonylContact C-O 3.44Å; P1563-N1610 VanDerWaalsContact CA-O 3.26Å; P1563-N1610 WeakPolarHBondContact CA-O 3.19Å; P1563-D1611 HydrophobicContact CB-CB 4.11Å | ||
| 1564 | E | 79 | Confident | 79 | Confident | 97 Ų | 97 | 56.8 Ų | 56.8 | 45% | 0.453 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 128.1 | 159.6 | 179.9 | -163.5 | -169.1 | 0 | 0 | 108.6 | I1566 L1609 N1610 | E1564-I1566 HydrophobicContact CG-CG1 4.26Å; E1564-L1609 WeakPolarHBondContact O-CA 3.22Å; E1564-N1610 HydrophobicContact CB-CB 4.23Å; E1564-N1610 PolarHBondContact N-O 3.01Å; E1564-N1610 PolarHBondContact O-N 2.88Å; E1564-N1610 PolarHBondContact OE2-ND2 3.08Å |
| 1565 | I | 87.4 | Confident | 78.6 | Confident | 30 Ų | 30 | 60 Ų | 60 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.1 | -177.4 | -52.6 | -162.8 | 0 | 0 | 0 | 109.9 | Y1557 P1563 M1583 T1585 C1590 L1609 | Y1557-I1565 HydrophobicContact CE1-CD1 4.17Å; P1563-I1565 WeakPolarHBondContact O-CG1 3.48Å; P1563-I1565 PolarHBondContact O-N 3.02Å; I1565-M1583 HydrophobicContact CG2-SD 4.16Å; I1565-T1585 HydrophobicContact CD1-CG2 3.6Å; I1565-C1590 HydrophobicContact CD1-CB 3.91Å; I1565-L1609 HydrophobicContact CB-CD2 4.18Å; I1565-L1609 HydrophobicContact CD1-CD2 3.91Å; I1565-L1609 HydrophobicContact CG1-CD2 3.69Å; I1565-L1609 HydrophobicContact CG2-CD2 3.95Å |
| 1566 | I | 85.6 | Confident | 77.7 | Confident | 23 Ų | 23 | 65 Ų | 65 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 122 | 178.8 | -56 | 172.2 | 0 | 0 | 0 | 108.4 | E1564 L1568 K1573 K1608 | E1564-I1566 HydrophobicContact CG-CG1 4.26Å; I1566-L1568 HydrophobicContact CG2-CD2 4.27Å; I1566-L1568 HydrophobicContact CG2-CG 4.36Å; I1566-K1573 HydrophobicContact CG2-CD 4.09Å; I1566-K1573 HydrophobicContact CG2-CG 3.97Å; I1566-K1608 HydrophobicContact CB-CB 4.33Å; I1566-K1608 PolarHBondContact N-O 3.44Å; I1566-K1608 PolarHBondContact O-N 3.36Å |
| 1567 | W | 89.8 | Confident | 76.9 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 3% | 0.034 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 136.6 | 167.2 | -75.8 | 88.9 | 0 | 0 | 0 | 110.8 | I1538 L1553 V1555 L1574 C1590 L1592 V1607 | I1538-W1567 HydrophobicContact CG2-CH2 4.3Å; L1553-W1567 HydrophobicContact CB-CH2 3.74Å; L1553-W1567 HydrophobicContact CB-CZ3 4.17Å; L1553-W1567 HydrophobicContact CD1-CH2 4.26Å; L1553-W1567 HydrophobicContact CD1-CZ3 3.81Å; V1555-W1567 HydrophobicContact CG2-CH2 3.55Å; V1555-W1567 HydrophobicContact CG2-CZ2 3.68Å; W1567-L1574 HydrophobicContact CB-CB 4.45Å; W1567-L1574 HydrophobicContact CB-CD1 3.71Å; W1567-L1574 PolarHBondContact O-N 3Å; W1567-C1590 PolarHBondContact NE1-SG 2.93Å; W1567-L1592 HydrophobicContact CB-CD2 4.41Å; W1567-L1592 HydrophobicContact CD2-CB 3.91Å; W1567-L1592 HydrophobicContact CD2-CD2 3.84Å; W1567-L1592 HydrophobicContact CD2-CG 4.32Å; W1567-L1592 HydrophobicContact CE3-CB 4.29Å; W1567-L1592 HydrophobicContact CE3-CD2 3.74Å; W1567-L1592 HydrophobicContact CG-CB 4.41Å; W1567-L1592 HydrophobicContact CG-CD1 4.29Å; W1567-L1592 HydrophobicContact CG-CD2 4.17Å; W1567-L1592 HydrophobicContact CH2-CB 4.15Å; W1567-L1592 HydrophobicContact CZ2-CB 3.77Å; W1567-L1592 HydrophobicContact CZ3-CB 4.41Å; W1567-L1592 HydrophobicContact CZ3-CD2 4.24Å; W1567-V1607 HydrophobicContact CD2-CB 4.15Å; W1567-V1607 HydrophobicContact CD2-CG2 4.18Å; W1567-V1607 HydrophobicContact CE3-CB 4.06Å; W1567-V1607 HydrophobicContact CH2-CB 4.07Å; W1567-V1607 HydrophobicContact CH2-CG2 4.44Å; W1567-V1607 HydrophobicContact CZ2-CB 4.13Å; W1567-V1607 HydrophobicContact CZ2-CG2 4Å; W1567-V1607 HydrophobicContact CZ3-CB 4.02Å |
| 1568 | L | 86.7 | Confident | 76.4 | Confident | 19 Ų | 19 | 70.6 Ų | 70.6 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.7 | 177.7 | -54.7 | 155.2 | 0 | 0 | 0 | 109.1 | I1566 Q1572 K1573 Y1605 T1606 | I1566-L1568 HydrophobicContact CG2-CD2 4.27Å; I1566-L1568 HydrophobicContact CG2-CG 4.36Å; L1568-Q1572 CarbonylContact C-O 3.6Å; L1568-Q1572 WeakPolarHBondContact CA-O 3.41Å; L1568-K1573 HydrophobicContact CD2-CB 4.47Å; L1568-K1573 HydrophobicContact CD2-CG 3.85Å; L1568-Y1605 CarbonylContact O-C 3.56Å; L1568-Y1605 WeakPolarHBondContact O-CA 3.29Å; L1568-T1606 HydrophobicContact CD1-CG2 4.04Å; L1568-T1606 PolarHBondContact N-O 3.18Å; L1568-T1606 PolarHBondContact O-N 2.94Å |
| 1569 | K | 86.5 | Confident | 76.5 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 19% | 0.191 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.2 | 168.2 | 178.4 | -176.9 | 178.8 | -172.4 | 0 | 107.6 | E1571 Q1572 L1574 E1600 D1601 Y1604 Y1605 | K1569-E1571 VanDerWaalsContact C-N 3.3Å; K1569-E1571 PolarHBondContact O-N 3.37Å; K1569-Q1572 PolarHBondContact N-O 3.22Å; K1569-Q1572 PolarHBondContact O-N 2.98Å; K1569-Q1572 VanDerWaalsContact O-N 3.09Å; K1569-L1574 HydrophobicContact CB-CD1 3.94Å; K1569-L1574 HydrophobicContact CB-CD2 3.81Å; K1569-L1574 HydrophobicContact CB-CG 3.68Å; K1569-L1574 HydrophobicContact CD-CD2 4.11Å; K1569-E1600 WeakPolarHBondContact CE-O 3.41Å; K1569-E1600 PolarHBondContact NZ-O 2.8Å; K1569-D1601 IonicContact NZ-OD1 2.73Å; K1569-D1601 PolarHBondContact NZ-OD1 3.49Å; K1569-Y1604 CarbonylContact C-O 3.6Å; K1569-Y1604 WeakPolarHBondContact CA-O 3.41Å; K1569-Y1605 HydrophobicContact CB-CD1 4.4Å; K1569-Y1605 HydrophobicContact CB-CE1 4.12Å; K1569-Y1605 HydrophobicContact CD-CE1 4.07Å; K1569-Y1605 WeakPolarHBondContact CD-OH 3.38Å; K1569-Y1605 VanDerWaalsContact CE-OH 3.31Å; K1569-Y1605 WeakPolarHBondContact CE-OH 3.33Å; K1569-Y1605 HydrophobicContact CG-CE1 4.03Å; K1569-Y1605 HydrophobicContact CG-CE2 4.3Å |
| 1570 | N | 82.7 | Confident | 77.1 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 51 | -173 | -56.8 | -35.7 | 0 | 0 | 0 | 111.7 | Q1572 G1603 Y1604 | N1570-Q1572 PolarHBondContact O-N 3.45Å; N1570-G1603 WeakPolarHBondContact OD1-CA 3.28Å; N1570-Y1604 PolarHBondContact N-O 3.31Å; N1570-Y1604 PolarHBondContact OD1-N 3.03Å |
| 1571 | E | 71.1 | Confident | 78.2 | Confident | 121 Ų | 121 | 72.2 Ų | 72.2 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 7.2 | -176.8 | -56.7 | -53 | 106.3 | 0 | 0 | 117.1 | K1569 T1606 | K1569-E1571 VanDerWaalsContact C-N 3.3Å; K1569-E1571 PolarHBondContact O-N 3.37Å; E1571-T1606 PolarHBondContact OE1-OG1 3.4Å |
| 1572 | Q | 74.1 | Confident | 78.9 | Confident | 152 Ų | 152 | 76.9 Ų | 76.9 | 71% | 0.71 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.6 | 170 | -59.1 | -175.3 | 6 | 0 | 0 | 110.5 | L1568 K1569 N1570 L1574 | L1568-Q1572 CarbonylContact C-O 3.6Å; L1568-Q1572 WeakPolarHBondContact CA-O 3.41Å; K1569-Q1572 PolarHBondContact N-O 3.22Å; K1569-Q1572 PolarHBondContact O-N 2.98Å; K1569-Q1572 VanDerWaalsContact O-N 3.09Å; N1570-Q1572 PolarHBondContact O-N 3.45Å; Q1572-L1574 PolarHBondContact O-N 3.17Å |
| 1573 | K | 79.5 | Confident | 79.6 | Confident | 141 Ų | 141 | 72.8 Ų | 72.8 | 61% | 0.613 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 127.9 | 174.3 | -74.9 | -164.9 | 176.7 | -165.7 | 0 | 109.9 | I1566 L1568 | I1566-K1573 HydrophobicContact CG2-CD 4.09Å; I1566-K1573 HydrophobicContact CG2-CG 3.97Å; L1568-K1573 HydrophobicContact CD2-CB 4.47Å; L1568-K1573 HydrophobicContact CD2-CG 3.85Å |
| 1574 | L | 81.9 | Confident | 79.8 | Confident | 21 Ų | 21 | 74.6 Ų | 74.6 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 133 | 174.9 | -87.6 | 147.2 | 0 | 0 | 0 | 110 | W1567 K1569 Q1572 I1576 I1581 L1592 Y1605 | W1567-L1574 HydrophobicContact CB-CB 4.45Å; W1567-L1574 HydrophobicContact CB-CD1 3.71Å; W1567-L1574 PolarHBondContact O-N 3Å; K1569-L1574 HydrophobicContact CB-CD1 3.94Å; K1569-L1574 HydrophobicContact CB-CD2 3.81Å; K1569-L1574 HydrophobicContact CB-CG 3.68Å; K1569-L1574 HydrophobicContact CD-CD2 4.11Å; Q1572-L1574 PolarHBondContact O-N 3.17Å; L1574-I1576 PolarHBondContact O-N 2.98Å; L1574-I1581 HydrophobicContact CD2-CD1 3.78Å; L1574-L1592 HydrophobicContact CD1-CD2 3.82Å; L1574-Y1605 HydrophobicContact CD1-CD1 3.9Å; L1574-Y1605 HydrophobicContact CD1-CE1 4.04Å; L1574-Y1605 HydrophobicContact CD2-CE1 4.28Å |
| 1575 | D | 77.2 | Confident | 79.5 | Confident | 88 Ų | 88 | 72.8 Ų | 72.8 | 47% | 0.471 | 37% | 0.367 | S | S | . | . | trans | -73.5 | 93.8 | 175.5 | 179.7 | 23.9 | 0 | 0 | 0 | 110.6 | N1577 S1578 | D1575-N1577 PolarHBondContact O-N 3.37Å; D1575-N1577 VanDerWaalsContact O-N 3.13Å; D1575-N1577 VanDerWaalsContact OD1-CB 3.31Å; D1575-N1577 WeakPolarHBondContact OD1-CB 3.49Å; D1575-N1577 PolarHBondContact OD1-N 3.18Å; D1575-N1577 PolarHBondContact OD1-ND2 3.32Å; D1575-S1578 VanDerWaalsContact O-CB 3.23Å; D1575-S1578 WeakPolarHBondContact O-CB 3.44Å; D1575-S1578 PolarHBondContact O-N 3.19Å | ||
| 1576 | I | 68.4 | Low | 78.5 | Confident | 104 Ų | 104 | 77.1 Ų | 77.1 | 53% | 0.533 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -8 | 175.5 | 56.2 | 172.7 | 0 | 0 | 0 | 114 | L1574 | L1574-I1576 PolarHBondContact O-N 2.98Š|
| 1577 | N | 68.4 | Low | 77.6 | Confident | 141 Ų | 141 | 80.7 Ų | 80.7 | 75% | 0.754 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7.5 | 172.3 | -48.2 | -76.4 | 0 | 0 | 0 | 112.7 | D1575 S1579 | D1575-N1577 PolarHBondContact O-N 3.37Å; D1575-N1577 VanDerWaalsContact O-N 3.13Å; D1575-N1577 VanDerWaalsContact OD1-CB 3.31Å; D1575-N1577 WeakPolarHBondContact OD1-CB 3.49Å; D1575-N1577 PolarHBondContact OD1-N 3.18Å; D1575-N1577 PolarHBondContact OD1-ND2 3.32Å; N1577-S1579 PolarHBondContact O-N 3.47Å |
| 1578 | S | 74.5 | Confident | 77 | Confident | 35 Ų | 35 | 84.3 Ų | 84.3 | 25% | 0.245 | 42% | 0.424 | C | S | . | . | trans | -66.9 | 126.7 | 178.8 | -168.5 | 0 | 0 | 0 | 0 | 111.1 | D1575 R1580 I1581 | D1575-S1578 VanDerWaalsContact O-CB 3.23Å; D1575-S1578 WeakPolarHBondContact O-CB 3.44Å; D1575-S1578 PolarHBondContact O-N 3.19Å; S1578-R1580 PolarHBondContact O-N 3.08Å; S1578-I1581 PolarHBondContact O-N 3.06Å | ||
| 1579 | S | 76.5 | Confident | 76.7 | Confident | 120 Ų | 120 | 86.8 Ų | 86.8 | 84% | 0.839 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -13.1 | 177.6 | 56.6 | 0 | 0 | 0 | 0 | 114.8 | N1577 | N1577-S1579 PolarHBondContact O-N 3.47Š|
| 1580 | R | 83.2 | Confident | 76.6 | Confident | 54 Ų | 54 | 84.7 Ų | 84.7 | 20% | 0.204 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.2 | 173.4 | -76 | 159.7 | 40.9 | 74.8 | 0.1 | 113.8 | S1578 I1594 F1595 D1596 D1601 | S1578-R1580 PolarHBondContact O-N 3.08Å; R1580-I1594 CarbonylContact O-C 3.6Å; R1580-I1594 WeakPolarHBondContact O-CA 3.16Å; R1580-F1595 PolarHBondContact NH1-O 3.16Å; R1580-F1595 WeakPolarHBondContact O-CD2 3.3Å; R1580-F1595 PolarHBondContact O-N 2.82Å; R1580-D1596 PolarHBondContact NH1-O 2.87Å; R1580-D1601 IonicContact CZ-OD2 2.98Å; R1580-D1601 VanDerWaalsContact NH2-CG 3.34Å; R1580-D1601 IonicContact NH2-OD1 3.5Å; R1580-D1601 PolarHBondContact NH2-OD1 3.33Å; R1580-D1601 IonicContact NH2-OD2 2.72Å; R1580-D1601 PolarHBondContact NH2-OD2 3.41Å |
| 1581 | I | 81.2 | Confident | 76.8 | Confident | 28 Ų | 28 | 82.1 Ų | 82.1 | 14% | 0.144 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.2 | -171.7 | -60.5 | 174.5 | 0 | 0 | 0 | 109.1 | L1574 S1578 L1592 T1593 | L1574-I1581 HydrophobicContact CD2-CD1 3.78Å; S1578-I1581 PolarHBondContact O-N 3.06Å; I1581-L1592 HydrophobicContact CG2-CD1 3.67Å; I1581-T1593 WeakPolarHBondContact CA-O 3.31Å |
| 1582 | R | 80.6 | Confident | 77.7 | Confident | 141 Ų | 141 | 76.3 Ų | 76.3 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 130.7 | 173 | 173.8 | 175.2 | 175.3 | 160.5 | -2 | 109.3 | D1584 T1593 F1595 | R1582-D1584 IonicContact NH2-OD2 2.66Å; R1582-T1593 PolarHBondContact N-O 3.41Å; R1582-T1593 PolarHBondContact O-N 3Å; R1582-F1595 HydrophobicContact CB-CE2 3.88Å; R1582-F1595 HydrophobicContact CB-CZ 4.44Å |
| 1583 | M | 83.4 | Confident | 78.4 | Confident | 74 Ų | 74 | 70.1 Ų | 70.1 | 37% | 0.365 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.2 | 169.7 | -168.2 | 171.5 | 69.8 | 0 | 0 | 109.2 | I1565 T1591 | I1565-M1583 HydrophobicContact CG2-SD 4.16Å; M1583-T1591 CarbonylContact C-O 3.41Å; M1583-T1591 WeakPolarHBondContact CA-O 3.28Å |
| 1584 | D | 77.4 | Confident | 78.9 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 25% | 0.246 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.6 | 172.7 | -150.3 | -36.5 | 0 | 0 | 0 | 109.1 | R1582 K1586 T1591 | R1582-D1584 IonicContact NH2-OD2 2.66Å; D1584-K1586 IonicContact OD1-NZ 3.33Å; D1584-K1586 PolarHBondContact OD1-NZ 3.25Å; D1584-K1586 IonicContact OD2-NZ 3.13Å; D1584-K1586 PolarHBondContact OD2-NZ 3.48Å; D1584-T1591 PolarHBondContact N-O 3.46Å; D1584-T1591 PolarHBondContact O-N 3.08Å |
| 1585 | T | 72.8 | Confident | 78.9 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 36% | 0.362 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 110 | -175.5 | -57.8 | 0 | 0 | 0 | 0 | 110 | Y1557 I1565 Q1589 | Y1557-T1585 WeakPolarHBondContact OH-CG2 3.47Å; I1565-T1585 HydrophobicContact CD1-CG2 3.6Å; T1585-Q1589 WeakPolarHBondContact CA-O 3.46Å |
| 1586 | K | 68.4 | Low | 79.1 | Confident | 120 Ų | 120 | 67 Ų | 67 | 52% | 0.522 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 150.8 | -172.3 | -66.4 | -175 | 176.5 | 96.8 | 0 | 109.6 | D1584 N1588 Q1589 | D1584-K1586 IonicContact OD1-NZ 3.33Å; D1584-K1586 PolarHBondContact OD1-NZ 3.25Å; D1584-K1586 IonicContact OD2-NZ 3.13Å; D1584-K1586 PolarHBondContact OD2-NZ 3.48Å; K1586-N1588 VanDerWaalsContact C-N 3.31Å; K1586-N1588 PolarHBondContact O-N 3.42Å; K1586-N1588 VanDerWaalsContact O-N 3.11Å; K1586-Q1589 PolarHBondContact N-O 2.62Å; K1586-Q1589 WeakPolarHBondContact O-CA 3.26Å; K1586-Q1589 WeakPolarHBondContact O-CB 3.37Å; K1586-Q1589 PolarHBondContact O-N 2.93Å |
| 1587 | N | 66.6 | Low | 79.6 | Confident | 98 Ų | 98 | 62 Ų | 62 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 46.3 | 167.4 | -60.2 | -11.1 | 0 | 0 | 0 | 115.1 | Q101 Q1589 | Q101-N1587 PolarHBondContact OE1-ND2 3.17Å; N1587-Q1589 PolarHBondContact O-N 3.02Å |
| 1588 | N | 75.5 | Confident | 80.3 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 32.5 | -177.7 | -84.3 | 11.7 | 0 | 0 | 0 | 113.7 | N1556 Y1557 K1586 | N1556-N1588 CarbonylContact C-O 3.32Å; N1556-N1588 WeakPolarHBondContact CA-O 3.45Å; Y1557-N1588 PolarHBondContact N-O 3.04Å; Y1557-N1588 WeakPolarHBondContact O-CB 3.34Å; Y1557-N1588 VanDerWaalsContact O-CG 3.3Å; Y1557-N1588 PolarHBondContact O-ND2 3.27Å; K1586-N1588 VanDerWaalsContact C-N 3.31Å; K1586-N1588 PolarHBondContact O-N 3.42Å; K1586-N1588 VanDerWaalsContact O-N 3.11Å |
| 1589 | Q | 82 | Confident | 80.4 | Confident | 72 Ų | 72 | 60.4 Ų | 60.4 | 34% | 0.336 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138.8 | 178.1 | 178.9 | 178.5 | 94.2 | 0 | 0 | 110.1 | T1554 V1555 N1556 T1585 K1586 N1587 | T1554-Q1589 HydrophobicContact CG2-CG 3.39Å; V1555-Q1589 CarbonylContact O-C 3.56Å; V1555-Q1589 VanDerWaalsContact O-CA 3.31Å; V1555-Q1589 WeakPolarHBondContact O-CA 3.42Å; N1556-Q1589 PolarHBondContact OD1-NE2 3.38Å; T1585-Q1589 WeakPolarHBondContact CA-O 3.46Å; K1586-Q1589 PolarHBondContact N-O 2.62Å; K1586-Q1589 WeakPolarHBondContact O-CA 3.26Å; K1586-Q1589 WeakPolarHBondContact O-CB 3.37Å; K1586-Q1589 PolarHBondContact O-N 2.93Å; N1587-Q1589 PolarHBondContact O-N 3.02Å |
| 1590 | C | 84.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.4 | 171.3 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | T1554 V1555 Y1557 I1565 W1567 | T1554-C1590 WeakPolarHBondContact CA-O 3.28Å; V1555-C1590 PolarHBondContact N-O 3.14Å; V1555-C1590 PolarHBondContact O-N 3.32Å; Y1557-C1590 HydrophobicContact CE1-CB 4.28Å; I1565-C1590 HydrophobicContact CD1-CB 3.91Å; W1567-C1590 PolarHBondContact NE1-SG 2.93Å |
| 1591 | T | 87 | Confident | 80.6 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.5 | -179.5 | -53.4 | 0 | 0 | 0 | 0 | 110.1 | T1552 L1553 M1583 D1584 | T1552-T1591 HydrophobicContact CG2-CG2 3.44Å; T1552-T1591 VanDerWaalsContact CG2-CG2 3.44Å; L1553-T1591 CarbonylContact O-C 3.5Å; L1553-T1591 WeakPolarHBondContact O-CA 3.47Å; M1583-T1591 CarbonylContact C-O 3.41Å; M1583-T1591 WeakPolarHBondContact CA-O 3.28Å; D1584-T1591 PolarHBondContact N-O 3.46Å; D1584-T1591 PolarHBondContact O-N 3.08Å |
| 1592 | L | 90.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.3 | 167.9 | -177.4 | 75.1 | 0 | 0 | 0 | 108.9 | T1552 L1553 W1567 L1574 I1581 I1594 Y1605 | T1552-L1592 WeakPolarHBondContact CA-O 3.38Å; L1553-L1592 HydrophobicContact CB-CB 4.41Å; L1553-L1592 HydrophobicContact CD1-CD2 4.37Å; L1553-L1592 PolarHBondContact N-O 3.43Å; L1553-L1592 PolarHBondContact O-N 3.46Å; W1567-L1592 HydrophobicContact CB-CD2 4.41Å; W1567-L1592 HydrophobicContact CD2-CB 3.91Å; W1567-L1592 HydrophobicContact CD2-CD2 3.84Å; W1567-L1592 HydrophobicContact CD2-CG 4.32Å; W1567-L1592 HydrophobicContact CE3-CB 4.29Å; W1567-L1592 HydrophobicContact CE3-CD2 3.74Å; W1567-L1592 HydrophobicContact CG-CB 4.41Å; W1567-L1592 HydrophobicContact CG-CD1 4.29Å; W1567-L1592 HydrophobicContact CG-CD2 4.17Å; W1567-L1592 HydrophobicContact CH2-CB 4.15Å; W1567-L1592 HydrophobicContact CZ2-CB 3.77Å; W1567-L1592 HydrophobicContact CZ3-CB 4.41Å; W1567-L1592 HydrophobicContact CZ3-CD2 4.24Å; L1574-L1592 HydrophobicContact CD1-CD2 3.82Å; I1581-L1592 HydrophobicContact CG2-CD1 3.67Å; L1592-I1594 HydrophobicContact CD2-CD1 4.29Å; L1592-I1594 HydrophobicContact CD2-CG1 4.46Å; L1592-I1594 HydrophobicContact CG-CG1 4.41Å; L1592-Y1605 HydrophobicContact CD2-CD1 4.05Å; L1592-Y1605 HydrophobicContact CD2-CE1 4.35Å |
| 1593 | T | 88.6 | Confident | 80.7 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 129.1 | 175.5 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | C1550 L1551 I1581 R1582 F1595 | C1550-T1593 WeakPolarHBondContact SG-CG2 3.31Å; L1551-T1593 CarbonylContact O-C 3.54Å; L1551-T1593 VanDerWaalsContact O-CA 3.31Å; L1551-T1593 WeakPolarHBondContact O-CA 3.44Å; I1581-T1593 WeakPolarHBondContact CA-O 3.31Å; R1582-T1593 PolarHBondContact N-O 3.41Å; R1582-T1593 PolarHBondContact O-N 3Å; T1593-F1595 HydrophobicContact CG2-CD1 4.32Å; T1593-F1595 HydrophobicContact CG2-CE1 3.78Å; T1593-F1595 HydrophobicContact CG2-CE2 4.13Å; T1593-F1595 HydrophobicContact CG2-CZ 3.67Å |
| 1594 | I | 88.6 | Confident | 80.8 | Confident | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.4 | 175.5 | -51.9 | -179.5 | 0 | 0 | 0 | 108.2 | C1550 L1551 R1580 L1592 Y1605 | C1550-I1594 CarbonylContact C-O 3.58Å; C1550-I1594 WeakPolarHBondContact CA-O 3.37Å; L1551-I1594 HydrophobicContact CB-CB 4.41Å; L1551-I1594 HydrophobicContact CD2-CD1 4.48Å; L1551-I1594 PolarHBondContact N-O 3Å; L1551-I1594 PolarHBondContact O-N 3.49Å; R1580-I1594 CarbonylContact O-C 3.6Å; R1580-I1594 WeakPolarHBondContact O-CA 3.16Å; L1592-I1594 HydrophobicContact CD2-CD1 4.29Å; L1592-I1594 HydrophobicContact CD2-CG1 4.46Å; L1592-I1594 HydrophobicContact CG-CG1 4.41Å; I1594-Y1605 HydrophobicContact CD1-CD1 4.48Å; I1594-Y1605 HydrophobicContact CD1-CE1 3.49Å; I1594-Y1605 VanDerWaalsContact CD1-CE1 3.49Å |
| 1595 | F | 82 | Confident | 81.4 | Confident | 80 Ų | 80 | 53.3 Ų | 53.3 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -83.4 | 146.1 | 176.5 | -56.3 | -75.4 | 0 | 0 | 0 | 110.8 | C1550 R1580 R1582 T1593 | C1550-F1595 VanDerWaalsContact SG-CD1 3.52Å; R1580-F1595 PolarHBondContact NH1-O 3.16Å; R1580-F1595 WeakPolarHBondContact O-CD2 3.3Å; R1580-F1595 PolarHBondContact O-N 2.82Å; R1582-F1595 HydrophobicContact CB-CE2 3.88Å; R1582-F1595 HydrophobicContact CB-CZ 4.44Å; T1593-F1595 HydrophobicContact CG2-CD1 4.32Å; T1593-F1595 HydrophobicContact CG2-CE1 3.78Å; T1593-F1595 HydrophobicContact CG2-CE2 4.13Å; T1593-F1595 HydrophobicContact CG2-CZ 3.67Å |
| 1596 | D | 82.4 | Confident | 82.1 | Confident | 101 Ų | 101 | 50.5 Ų | 50.5 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 51.9 | 62.4 | -179.6 | -56.9 | -27.5 | 0 | 0 | 0 | 113.9 | Q1549 R1580 K1598 | Q1549-D1596 PolarHBondContact O-N 3.3Å; R1580-D1596 PolarHBondContact NH1-O 2.87Å; D1596-K1598 PolarHBondContact O-N 3.11Å |
| 1597 | T | 79.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -50.8 | 124.9 | 179.7 | 44.2 | 0 | 0 | 0 | 0 | 112.9 | I1545 T1546 I1547 N1548 Q1549 L1551 | I1545-T1597 HydrophobicContact CG2-CG2 3.94Å; T1546-T1597 PolarHBondContact O-OG1 2.91Å; I1547-T1597 CarbonylContact C-O 3.49Å; I1547-T1597 VanDerWaalsContact CA-O 3.3Å; I1547-T1597 WeakPolarHBondContact CA-O 3.44Å; N1548-T1597 PolarHBondContact N-O 3.15Å; Q1549-T1597 PolarHBondContact N-OG1 3.48Å; Q1549-T1597 WeakPolarHBondContact O-CG2 3.4Å; Q1549-T1597 PolarHBondContact O-N 3.09Å; Q1549-T1597 PolarHBondContact O-OG1 3.01Å; Q1549-T1597 VanDerWaalsContact O-OG1 3.05Å; L1551-T1597 HydrophobicContact CB-CG2 3.53Å | ||
| 1598 | K | 81.3 | Confident | 84.1 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 31% | 0.309 | 22% | 0.215 | S | C | . | . | trans | -104.5 | 164.5 | 176.6 | -62.7 | -169.7 | -177.9 | -175.8 | 0 | 111.3 | D1596 E1600 D1601 V1624 | D1596-K1598 PolarHBondContact O-N 3.11Å; K1598-E1600 HydrophobicContact CB-CB 3.95Å; K1598-E1600 HydrophobicContact CB-CG 4.31Å; K1598-E1600 HydrophobicContact CD-CB 4.27Å; K1598-E1600 HydrophobicContact CD-CG 4.16Å; K1598-E1600 WeakPolarHBondContact CD-OE1 3.34Å; K1598-E1600 VanDerWaalsContact CD-OE2 3.23Å; K1598-E1600 WeakPolarHBondContact CD-OE2 3.34Å; K1598-E1600 IonicContact NZ-OE1 3.98Å; K1598-E1600 PolarHBondContact NZ-OE1 3.16Å; K1598-E1600 IonicContact NZ-OE2 3.9Å; K1598-E1600 PolarHBondContact NZ-OE2 3.26Å; K1598-E1600 PolarHBondContact O-N 3.15Å; K1598-D1601 PolarHBondContact N-OD2 3.19Å; K1598-D1601 WeakPolarHBondContact O-CB 3.43Å; K1598-D1601 PolarHBondContact O-N 3.42Å; K1598-V1624 WeakPolarHBondContact O-CB 3.38Å; K1598-V1624 WeakPolarHBondContact O-CG1 3.31Å; K1598-V1624 WeakPolarHBondContact O-CG2 3.42Å | ||
| 1599 | P | 76.8 | Confident | 84.6 | Confident | 72 Ų | 72 | 39 Ų | 39 | 47% | 0.468 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -52.5 | -35.8 | 164.3 | -25.5 | 35.6 | 0 | 0 | 0 | 112.4 | I1547 D1601 T1602 | I1547-P1599 HydrophobicContact CD1-CG 3.72Å; I1547-P1599 HydrophobicContact CG1-CG 4.14Å; P1599-D1601 PolarHBondContact O-N 3.21Å; P1599-D1601 VanDerWaalsContact O-N 3.1Å; P1599-T1602 VanDerWaalsContact O-CB 3.31Å; P1599-T1602 WeakPolarHBondContact O-CB 3.36Å; P1599-T1602 PolarHBondContact O-N 3.49Å; P1599-T1602 PolarHBondContact O-OG1 3.11Å |
| 1600 | E | 78 | Confident | 84.5 | Confident | 127 Ų | 127 | 38.1 Ų | 38.1 | 59% | 0.593 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -56 | -17.5 | 172.4 | -58.8 | 162.3 | -139.6 | 0 | 0 | 114.3 | K1569 K1598 | K1569-E1600 WeakPolarHBondContact CE-O 3.41Å; K1569-E1600 PolarHBondContact NZ-O 2.8Å; K1598-E1600 HydrophobicContact CB-CB 3.95Å; K1598-E1600 HydrophobicContact CB-CG 4.31Å; K1598-E1600 HydrophobicContact CD-CB 4.27Å; K1598-E1600 HydrophobicContact CD-CG 4.16Å; K1598-E1600 WeakPolarHBondContact CD-OE1 3.34Å; K1598-E1600 VanDerWaalsContact CD-OE2 3.23Å; K1598-E1600 WeakPolarHBondContact CD-OE2 3.34Å; K1598-E1600 IonicContact NZ-OE1 3.98Å; K1598-E1600 PolarHBondContact NZ-OE1 3.16Å; K1598-E1600 IonicContact NZ-OE2 3.9Å; K1598-E1600 PolarHBondContact NZ-OE2 3.26Å; K1598-E1600 PolarHBondContact O-N 3.15Å |
| 1601 | D | 85.7 | Confident | 84 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -93.9 | 4.4 | 178.3 | -60.2 | -50.1 | 0 | 0 | 0 | 114 | K1569 R1580 K1598 P1599 Y1605 V1624 | K1569-D1601 IonicContact NZ-OD1 2.73Å; K1569-D1601 PolarHBondContact NZ-OD1 3.49Å; R1580-D1601 IonicContact CZ-OD2 2.98Å; R1580-D1601 VanDerWaalsContact NH2-CG 3.34Å; R1580-D1601 IonicContact NH2-OD1 3.5Å; R1580-D1601 PolarHBondContact NH2-OD1 3.33Å; R1580-D1601 IonicContact NH2-OD2 2.72Å; R1580-D1601 PolarHBondContact NH2-OD2 3.41Å; K1598-D1601 PolarHBondContact N-OD2 3.19Å; K1598-D1601 WeakPolarHBondContact O-CB 3.43Å; K1598-D1601 PolarHBondContact O-N 3.42Å; P1599-D1601 PolarHBondContact O-N 3.21Å; P1599-D1601 VanDerWaalsContact O-N 3.1Å; D1601-Y1605 WeakPolarHBondContact O-CE2 3.18Å; D1601-Y1605 PolarHBondContact O-OH 2.97Å; D1601-Y1605 VanDerWaalsContact O-OH 3.09Å; D1601-V1624 HydrophobicContact CB-CG2 4.2Å |
| 1602 | T | 85.3 | Confident | 82.4 | Confident | 52 Ų | 52 | 42.2 Ų | 42.2 | 32% | 0.319 | 22% | 0.219 | S | C | . | . | trans | -67.9 | 134.3 | 166.5 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | P1599 F1621 I1622 V1624 | P1599-T1602 VanDerWaalsContact O-CB 3.31Å; P1599-T1602 WeakPolarHBondContact O-CB 3.36Å; P1599-T1602 PolarHBondContact O-N 3.49Å; P1599-T1602 PolarHBondContact O-OG1 3.11Å; T1602-F1621 HydrophobicContact CG2-CZ 3.98Å; T1602-I1622 CarbonylContact C-O 3.44Å; T1602-I1622 VanDerWaalsContact CA-O 3.3Å; T1602-I1622 WeakPolarHBondContact CA-O 3.29Å; T1602-I1622 WeakPolarHBondContact CG2-O 3.34Å; T1602-V1624 PolarHBondContact OG1-N 3.16Å | ||
| 1603 | G | 80.2 | Confident | 80.8 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.3 | -175.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1570 F1621 I1622 | N1570-G1603 WeakPolarHBondContact OD1-CA 3.28Å; G1603-F1621 WeakPolarHBondContact O-CD2 3.31Å; G1603-I1622 PolarHBondContact N-O 2.89Å; G1603-I1622 PolarHBondContact O-N 2.85Å |
| 1604 | Y | 85.5 | Confident | 79.4 | Confident | 120 Ų | 120 | 48.4 Ų | 48.4 | 47% | 0.471 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.3 | 172.9 | -64.7 | -84 | 0 | 0 | 0 | 110.2 | K1569 N1570 T1619 I1620 F1621 | K1569-Y1604 CarbonylContact C-O 3.6Å; K1569-Y1604 WeakPolarHBondContact CA-O 3.41Å; N1570-Y1604 PolarHBondContact N-O 3.31Å; N1570-Y1604 PolarHBondContact OD1-N 3.03Å; Y1604-T1619 HydrophobicContact CD1-CG2 4.01Å; Y1604-T1619 HydrophobicContact CG-CG2 4.42Å; Y1604-I1620 CarbonylContact C-O 3.59Å; Y1604-I1620 WeakPolarHBondContact CA-O 3.44Å; Y1604-F1621 HydrophobicContact CD1-CB 4.04Å; Y1604-F1621 AromaticContact CD1-CD2 3.87Å; Y1604-F1621 HydrophobicContact CD1-CD2 3.87Å; Y1604-F1621 HydrophobicContact CD1-CG 4.45Å; Y1604-F1621 HydrophobicContact CD2-CD2 4.05Å; Y1604-F1621 HydrophobicContact CD2-CE2 4.45Å; Y1604-F1621 HydrophobicContact CE1-CB 3.97Å; Y1604-F1621 AromaticContact CE1-CD2 3.74Å; Y1604-F1621 HydrophobicContact CE1-CD2 3.74Å; Y1604-F1621 HydrophobicContact CE1-CG 4.23Å; Y1604-F1621 AromaticContact CE2-CD2 3.92Å; Y1604-F1621 HydrophobicContact CE2-CD2 3.92Å; Y1604-F1621 HydrophobicContact CE2-CE2 4.21Å; Y1604-F1621 HydrophobicContact CG-CD2 4.03Å; Y1604-F1621 AromaticContact CZ-CD2 3.77Å |
| 1605 | Y | 88.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 110.7 | 175.4 | -74.2 | -99.4 | 0 | 0 | 0 | 108.7 | L1553 L1568 K1569 L1574 L1592 I1594 D1601 T1619 I1620 I1622 | L1553-Y1605 HydrophobicContact CD1-CD1 3.97Å; L1553-Y1605 HydrophobicContact CD1-CG 3.82Å; L1568-Y1605 CarbonylContact O-C 3.56Å; L1568-Y1605 WeakPolarHBondContact O-CA 3.29Å; K1569-Y1605 HydrophobicContact CB-CD1 4.4Å; K1569-Y1605 HydrophobicContact CB-CE1 4.12Å; K1569-Y1605 HydrophobicContact CD-CE1 4.07Å; K1569-Y1605 WeakPolarHBondContact CD-OH 3.38Å; K1569-Y1605 VanDerWaalsContact CE-OH 3.31Å; K1569-Y1605 WeakPolarHBondContact CE-OH 3.33Å; K1569-Y1605 HydrophobicContact CG-CE1 4.03Å; K1569-Y1605 HydrophobicContact CG-CE2 4.3Å; L1574-Y1605 HydrophobicContact CD1-CD1 3.9Å; L1574-Y1605 HydrophobicContact CD1-CE1 4.04Å; L1574-Y1605 HydrophobicContact CD2-CE1 4.28Å; L1592-Y1605 HydrophobicContact CD2-CD1 4.05Å; L1592-Y1605 HydrophobicContact CD2-CE1 4.35Å; I1594-Y1605 HydrophobicContact CD1-CD1 4.48Å; I1594-Y1605 HydrophobicContact CD1-CE1 3.49Å; I1594-Y1605 VanDerWaalsContact CD1-CE1 3.49Å; D1601-Y1605 WeakPolarHBondContact O-CE2 3.18Å; D1601-Y1605 PolarHBondContact O-OH 2.97Å; D1601-Y1605 VanDerWaalsContact O-OH 3.09Å; Y1605-T1619 WeakPolarHBondContact O-CA 3.37Å; Y1605-I1620 PolarHBondContact N-O 2.98Å; Y1605-I1620 PolarHBondContact O-N 3.09Å; Y1605-I1622 HydrophobicContact CD2-CB 3.82Å; Y1605-I1622 HydrophobicContact CD2-CG1 3.53Å; Y1605-I1622 HydrophobicContact CE2-CB 3.81Å; Y1605-I1622 HydrophobicContact CE2-CG1 3.95Å; Y1605-I1622 HydrophobicContact CE2-CG2 4.18Å; Y1605-I1622 HydrophobicContact CG-CG1 4.34Å |
| 1606 | T | 88 | Confident | 78.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.5 | 179.5 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | L1568 E1571 Q1617 E1618 T1619 | L1568-T1606 HydrophobicContact CD1-CG2 4.04Å; L1568-T1606 PolarHBondContact N-O 3.18Å; L1568-T1606 PolarHBondContact O-N 2.94Å; E1571-T1606 PolarHBondContact OE1-OG1 3.4Å; T1606-Q1617 HydrophobicContact CG2-CB 4.27Å; T1606-E1618 CarbonylContact C-O 3.53Å; T1606-E1618 VanDerWaalsContact CA-O 3.28Å; T1606-E1618 WeakPolarHBondContact CA-O 3.26Å; T1606-T1619 WeakPolarHBondContact CG2-OG1 3.36Å; T1606-T1619 VanDerWaalsContact OG1-CG2 3.31Å; T1606-T1619 WeakPolarHBondContact OG1-CG2 3.46Å; T1606-T1619 PolarHBondContact OG1-OG1 3.32Å |
| 1607 | V | 89.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 139.9 | 166.6 | 67.2 | 0 | 0 | 0 | 0 | 108.8 | I1534 I1538 V1555 W1567 L1609 Q1617 E1618 | I1534-V1607 HydrophobicContact CD1-CG1 3.93Å; I1538-V1607 HydrophobicContact CD1-CG1 4.04Å; V1555-V1607 HydrophobicContact CG1-CG1 4.03Å; V1555-V1607 HydrophobicContact CG2-CB 4.29Å; V1555-V1607 HydrophobicContact CG2-CG1 3.97Å; V1555-V1607 HydrophobicContact CG2-CG2 4.36Å; W1567-V1607 HydrophobicContact CD2-CB 4.15Å; W1567-V1607 HydrophobicContact CD2-CG2 4.18Å; W1567-V1607 HydrophobicContact CE3-CB 4.06Å; W1567-V1607 HydrophobicContact CH2-CB 4.07Å; W1567-V1607 HydrophobicContact CH2-CG2 4.44Å; W1567-V1607 HydrophobicContact CZ2-CB 4.13Å; W1567-V1607 HydrophobicContact CZ2-CG2 4Å; W1567-V1607 HydrophobicContact CZ3-CB 4.02Å; V1607-L1609 HydrophobicContact CG2-CD2 4.29Å; V1607-Q1617 CarbonylContact O-C 3.35Å; V1607-Q1617 WeakPolarHBondContact O-CA 2.79Å; V1607-Q1617 VanDerWaalsContact O-CB 3.24Å; V1607-Q1617 WeakPolarHBondContact O-CB 3.44Å; V1607-E1618 HydrophobicContact CG1-CB 4Å; V1607-E1618 PolarHBondContact N-O 3.26Å; V1607-E1618 PolarHBondContact O-N 3.04Å |
| 1608 | K | 87.6 | Confident | 78.7 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 27% | 0.27 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 127.9 | 176 | 178.5 | 175.6 | -178.1 | 172.7 | 0 | 109.7 | I1566 I1615 V1616 Q1617 | I1566-K1608 HydrophobicContact CB-CB 4.33Å; I1566-K1608 PolarHBondContact N-O 3.44Å; I1566-K1608 PolarHBondContact O-N 3.36Å; K1608-I1615 HydrophobicContact CD-CG2 4.45Å; K1608-I1615 HydrophobicContact CG-CG2 4.14Å; K1608-V1616 WeakPolarHBondContact CA-O 3.24Å; K1608-Q1617 HydrophobicContact CB-CB 4.21Å; K1608-Q1617 HydrophobicContact CG-CB 4.42Å |
| 1609 | L | 86.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.9 | 179.1 | -52.8 | 176.5 | 0 | 0 | 0 | 108.5 | P1532 I1534 Y1557 P1563 E1564 I1565 V1607 I1615 V1616 | P1532-L1609 HydrophobicContact CB-CB 4.18Å; P1532-L1609 HydrophobicContact CG-CB 4.44Å; I1534-L1609 HydrophobicContact CD1-CD1 4.27Å; I1534-L1609 HydrophobicContact CG1-CD1 3.77Å; Y1557-L1609 VanDerWaalsContact CB-CD1 3.45Å; Y1557-L1609 HydrophobicContact CD1-CD1 4.07Å; Y1557-L1609 HydrophobicContact CD2-CD1 4.24Å; Y1557-L1609 HydrophobicContact CG-CD1 3.67Å; P1563-L1609 HydrophobicContact CB-CB 4.03Å; P1563-L1609 HydrophobicContact CG-CB 4.26Å; P1563-L1609 HydrophobicContact CG-CD2 4.38Å; E1564-L1609 WeakPolarHBondContact O-CA 3.22Å; I1565-L1609 HydrophobicContact CB-CD2 4.18Å; I1565-L1609 HydrophobicContact CD1-CD2 3.91Å; I1565-L1609 HydrophobicContact CG1-CD2 3.69Å; I1565-L1609 HydrophobicContact CG2-CD2 3.95Å; V1607-L1609 HydrophobicContact CG2-CD2 4.29Å; L1609-I1615 WeakPolarHBondContact O-CA 3.35Å; L1609-V1616 HydrophobicContact CB-CG1 3.85Å; L1609-V1616 HydrophobicContact CD1-CG1 4.07Å; L1609-V1616 HydrophobicContact CG-CG1 4.31Å; L1609-V1616 PolarHBondContact N-O 3.25Å; L1609-V1616 PolarHBondContact O-N 3.23Å |
| 1610 | N | 80.1 | Confident | 79.3 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 121.9 | -173.8 | 170.5 | 45.7 | 0 | 0 | 0 | 110.5 | P1563 E1564 I1615 | P1563-N1610 CarbonylContact C-O 3.44Å; P1563-N1610 VanDerWaalsContact CA-O 3.26Å; P1563-N1610 WeakPolarHBondContact CA-O 3.19Å; E1564-N1610 HydrophobicContact CB-CB 4.23Å; E1564-N1610 PolarHBondContact N-O 3.01Å; E1564-N1610 PolarHBondContact O-N 2.88Å; E1564-N1610 PolarHBondContact OE2-ND2 3.08Å; N1610-I1615 HydrophobicContact CB-CG1 4.15Å; N1610-I1615 VanDerWaalsContact OD1-CG1 3.28Å; N1610-I1615 WeakPolarHBondContact OD1-CG1 3.21Å |
| 1611 | D | 72.2 | Confident | 79.7 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 170.5 | -179.9 | 119 | -45.4 | 0 | 0 | 0 | 110.6 | P1532 S1559 S1561 P1563 Y1613 G1614 | P1532-D1611 WeakPolarHBondContact CD-OD1 3.44Å; P1532-D1611 HydrophobicContact CG-CB 4.24Å; S1559-D1611 PolarHBondContact OG-OD2 2.86Å; S1561-D1611 WeakPolarHBondContact CB-OD2 3.11Å; S1561-D1611 PolarHBondContact N-OD2 3.02Å; S1561-D1611 WeakPolarHBondContact OG-CB 3.35Å; S1561-D1611 VanDerWaalsContact OG-CG 3.29Å; S1561-D1611 PolarHBondContact OG-OD2 2.97Å; P1563-D1611 HydrophobicContact CB-CB 4.11Å; D1611-Y1613 PolarHBondContact O-N 3.31Å; D1611-Y1613 WeakPolarHBondContact OD1-CA 3.44Å; D1611-Y1613 WeakPolarHBondContact OD1-CB 3.39Å; D1611-Y1613 PolarHBondContact OD1-N 3.16Å; D1611-G1614 PolarHBondContact N-O 2.91Å; D1611-G1614 PolarHBondContact O-N 2.7Å; D1611-G1614 PolarHBondContact OD1-N 2.84Å; D1611-G1614 VanDerWaalsContact OD1-N 3.09Å |
| 1612 | S | 55.3 | Low | 79.7 | Confident | 94 Ų | 94 | 48.5 Ų | 48.5 | 66% | 0.657 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -7 | -176.2 | 54 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1613 | Y | 56.2 | Low | 79.5 | Confident | 125 Ų | 125 | 50.9 Ų | 50.9 | 49% | 0.49 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -9.1 | -178.8 | -53.2 | -81 | 0 | 0 | 0 | 113 | D1611 | D1611-Y1613 PolarHBondContact O-N 3.31Å; D1611-Y1613 WeakPolarHBondContact OD1-CA 3.44Å; D1611-Y1613 WeakPolarHBondContact OD1-CB 3.39Å; D1611-Y1613 PolarHBondContact OD1-N 3.16Å |
| 1614 | G | 57.6 | Low | 79.7 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 29% | 0.289 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.4 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | P1532 D1611 | P1532-G1614 WeakPolarHBondContact CD-O 3.2Å; P1532-G1614 WeakPolarHBondContact CG-O 3.41Å; D1611-G1614 PolarHBondContact N-O 2.91Å; D1611-G1614 PolarHBondContact O-N 2.7Å; D1611-G1614 PolarHBondContact OD1-N 2.84Å; D1611-G1614 VanDerWaalsContact OD1-N 3.09Å |
| 1615 | I | 71.1 | Confident | 78.8 | Confident | 100 Ų | 100 | 49.7 Ų | 49.7 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.6 | 175.5 | -63.5 | 174.5 | 0 | 0 | 0 | 108.6 | K1608 L1609 N1610 | K1608-I1615 HydrophobicContact CD-CG2 4.45Å; K1608-I1615 HydrophobicContact CG-CG2 4.14Å; L1609-I1615 WeakPolarHBondContact O-CA 3.35Å; N1610-I1615 HydrophobicContact CB-CG1 4.15Å; N1610-I1615 VanDerWaalsContact OD1-CG1 3.28Å; N1610-I1615 WeakPolarHBondContact OD1-CG1 3.21Å |
| 1616 | V | 78.5 | Confident | 77.4 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 22% | 0.218 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 150.2 | 170.3 | 67 | 0 | 0 | 0 | 0 | 110.1 | P1532 I1534 K1608 L1609 | P1532-V1616 HydrophobicContact CB-CG1 3.84Å; P1532-V1616 HydrophobicContact CG-CG1 4.01Å; P1532-V1616 WeakPolarHBondContact O-CB 3.48Å; P1532-V1616 VanDerWaalsContact O-CG1 3.29Å; P1532-V1616 WeakPolarHBondContact O-CG1 3.34Å; I1534-V1616 HydrophobicContact CD1-CG1 4.14Å; I1534-V1616 HydrophobicContact CD1-CG2 4.14Å; I1534-V1616 HydrophobicContact CG1-CG1 3.92Å; I1534-V1616 HydrophobicContact CG1-CG2 4.2Å; K1608-V1616 WeakPolarHBondContact CA-O 3.24Å; L1609-V1616 HydrophobicContact CB-CG1 3.85Å; L1609-V1616 HydrophobicContact CD1-CG1 4.07Å; L1609-V1616 HydrophobicContact CG-CG1 4.31Å; L1609-V1616 PolarHBondContact N-O 3.25Å; L1609-V1616 PolarHBondContact O-N 3.23Å |
| 1617 | Q | 86.4 | Confident | 75.2 | Confident | 112 Ų | 112 | 64 Ų | 64 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150.8 | 178 | 64 | -175.4 | 38.1 | 0 | 0 | 111.6 | T1606 V1607 K1608 | T1606-Q1617 HydrophobicContact CG2-CB 4.27Å; V1607-Q1617 CarbonylContact O-C 3.35Å; V1607-Q1617 WeakPolarHBondContact O-CA 2.79Å; V1607-Q1617 VanDerWaalsContact O-CB 3.24Å; V1607-Q1617 WeakPolarHBondContact O-CB 3.44Å; K1608-Q1617 HydrophobicContact CB-CB 4.21Å; K1608-Q1617 HydrophobicContact CG-CB 4.42Å |
| 1618 | E | 82.8 | Confident | 72.5 | Confident | 49 Ų | 49 | 67 Ų | 67 | 23% | 0.229 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 148.3 | 177.1 | -167.4 | -166.8 | 174.1 | 0 | 0 | 109.3 | I1534 E1537 I1538 T1606 V1607 | I1534-E1618 HydrophobicContact CD1-CB 3.73Å; I1534-E1618 VanDerWaalsContact CG2-OE2 3.28Å; I1534-E1618 WeakPolarHBondContact CG2-OE2 3.38Å; E1537-E1618 WeakPolarHBondContact CA-OE1 3.32Å; I1538-E1618 HydrophobicContact CD1-CB 4.2Å; I1538-E1618 HydrophobicContact CD1-CG 4.15Å; I1538-E1618 HydrophobicContact CG1-CB 4.4Å; I1538-E1618 HydrophobicContact CG1-CG 3.99Å; I1538-E1618 WeakPolarHBondContact CG1-OE2 3.32Å; I1538-E1618 PolarHBondContact N-OE1 3.28Å; I1538-E1618 VanDerWaalsContact N-OE1 3.16Å; T1606-E1618 CarbonylContact C-O 3.53Å; T1606-E1618 VanDerWaalsContact CA-O 3.28Å; T1606-E1618 WeakPolarHBondContact CA-O 3.26Å; V1607-E1618 HydrophobicContact CG1-CB 4Å; V1607-E1618 PolarHBondContact N-O 3.26Å; V1607-E1618 PolarHBondContact O-N 3.04Å |
| 1619 | T | 85.6 | Confident | 69.8 | Low | 69 Ų | 69 | 69.3 Ų | 69.3 | 42% | 0.423 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 129.1 | -174.7 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | Y1604 Y1605 T1606 | Y1604-T1619 HydrophobicContact CD1-CG2 4.01Å; Y1604-T1619 HydrophobicContact CG-CG2 4.42Å; Y1605-T1619 WeakPolarHBondContact O-CA 3.37Å; T1606-T1619 WeakPolarHBondContact CG2-OG1 3.36Å; T1606-T1619 VanDerWaalsContact OG1-CG2 3.31Å; T1606-T1619 WeakPolarHBondContact OG1-CG2 3.46Å; T1606-T1619 PolarHBondContact OG1-OG1 3.32Å |
| 1620 | I | 85.5 | Confident | 67.2 | Low | 24 Ų | 24 | 74.5 Ų | 74.5 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141 | 172.8 | -171.2 | 164 | 0 | 0 | 0 | 111.6 | I1538 K1540 L1553 Y1604 Y1605 I1622 | I1538-I1620 HydrophobicContact CB-CB 4.13Å; I1538-I1620 HydrophobicContact CB-CD1 4.11Å; I1538-I1620 HydrophobicContact CB-CG2 4.13Å; I1538-I1620 HydrophobicContact CD1-CB 4.07Å; I1538-I1620 HydrophobicContact CD1-CG2 3.88Å; I1538-I1620 HydrophobicContact CG1-CB 4.41Å; I1538-I1620 HydrophobicContact CG1-CG2 4.49Å; I1538-I1620 HydrophobicContact CG2-CB 4.49Å; I1538-I1620 HydrophobicContact CG2-CD1 4.42Å; I1538-I1620 HydrophobicContact CG2-CG2 3.95Å; I1538-I1620 WeakPolarHBondContact O-CD1 3.19Å; K1540-I1620 HydrophobicContact CB-CD1 4.16Å; K1540-I1620 HydrophobicContact CD-CD1 3.91Å; K1540-I1620 HydrophobicContact CG-CD1 3.87Å; L1553-I1620 HydrophobicContact CD1-CG2 4.1Å; L1553-I1620 HydrophobicContact CD2-CG2 4.43Å; Y1604-I1620 CarbonylContact C-O 3.59Å; Y1604-I1620 WeakPolarHBondContact CA-O 3.44Å; Y1605-I1620 PolarHBondContact N-O 2.98Å; Y1605-I1620 PolarHBondContact O-N 3.09Å; I1620-I1622 HydrophobicContact CD1-CD1 4.34Å; I1620-I1622 HydrophobicContact CG1-CD1 4.25Å; I1620-I1622 HydrophobicContact CG2-CD1 4.29Å; I1620-I1622 HydrophobicContact CG2-CG1 4.34Å |
| 1621 | F | 86.2 | Confident | 64.9 | Low | 75 Ų | 75 | 77.5 Ų | 77.5 | 33% | 0.329 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.4 | 169.6 | -174.6 | -100.1 | 0 | 0 | 0 | 111.4 | T1602 G1603 Y1604 E1623 | T1602-F1621 HydrophobicContact CG2-CZ 3.98Å; G1603-F1621 WeakPolarHBondContact O-CD2 3.31Å; Y1604-F1621 HydrophobicContact CD1-CB 4.04Å; Y1604-F1621 AromaticContact CD1-CD2 3.87Å; Y1604-F1621 HydrophobicContact CD1-CD2 3.87Å; Y1604-F1621 HydrophobicContact CD1-CG 4.45Å; Y1604-F1621 HydrophobicContact CD2-CD2 4.05Å; Y1604-F1621 HydrophobicContact CD2-CE2 4.45Å; Y1604-F1621 HydrophobicContact CE1-CB 3.97Å; Y1604-F1621 AromaticContact CE1-CD2 3.74Å; Y1604-F1621 HydrophobicContact CE1-CD2 3.74Å; Y1604-F1621 HydrophobicContact CE1-CG 4.23Å; Y1604-F1621 AromaticContact CE2-CD2 3.92Å; Y1604-F1621 HydrophobicContact CE2-CD2 3.92Å; Y1604-F1621 HydrophobicContact CE2-CE2 4.21Å; Y1604-F1621 HydrophobicContact CG-CD2 4.03Å; Y1604-F1621 AromaticContact CZ-CD2 3.77Å; F1621-E1623 HydrophobicContact CE1-CB 4.1Å |
| 1622 | I | 85 | Confident | 63 | Low | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.3 | -176.9 | -64.6 | -57.9 | 0 | 0 | 0 | 109.5 | K1540 I1545 L1551 L1553 T1602 G1603 Y1605 I1620 V1624 | K1540-I1622 HydrophobicContact CB-CD1 4.32Å; K1540-I1622 HydrophobicContact CD-CD1 4.23Å; I1545-I1622 HydrophobicContact CD1-CD1 4.08Å; I1545-I1622 HydrophobicContact CD1-CG2 3.82Å; L1551-I1622 HydrophobicContact CD2-CD1 4.38Å; L1551-I1622 HydrophobicContact CD2-CG1 4.27Å; L1551-I1622 HydrophobicContact CD2-CG2 3.62Å; L1553-I1622 HydrophobicContact CD2-CD1 3.68Å; L1553-I1622 HydrophobicContact CD2-CG1 4.31Å; T1602-I1622 CarbonylContact C-O 3.44Å; T1602-I1622 VanDerWaalsContact CA-O 3.3Å; T1602-I1622 WeakPolarHBondContact CA-O 3.29Å; T1602-I1622 WeakPolarHBondContact CG2-O 3.34Å; G1603-I1622 PolarHBondContact N-O 2.89Å; G1603-I1622 PolarHBondContact O-N 2.85Å; Y1605-I1622 HydrophobicContact CD2-CB 3.82Å; Y1605-I1622 HydrophobicContact CD2-CG1 3.53Å; Y1605-I1622 HydrophobicContact CE2-CB 3.81Å; Y1605-I1622 HydrophobicContact CE2-CG1 3.95Å; Y1605-I1622 HydrophobicContact CE2-CG2 4.18Å; Y1605-I1622 HydrophobicContact CG-CG1 4.34Å; I1620-I1622 HydrophobicContact CD1-CD1 4.34Å; I1620-I1622 HydrophobicContact CG1-CD1 4.25Å; I1620-I1622 HydrophobicContact CG2-CD1 4.29Å; I1620-I1622 HydrophobicContact CG2-CG1 4.34Å; I1622-V1624 HydrophobicContact CG2-CG2 4.37Å |
| 1623 | E | 82.1 | Confident | 61.9 | Low | 101 Ų | 101 | 83.2 Ų | 83.2 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | trans | -119.8 | 117.5 | 179.7 | -170.5 | -167.8 | 175.2 | 0 | 0 | 109.1 | F1621 K1625 | F1621-E1623 HydrophobicContact CE1-CB 4.1Å; E1623-K1625 HydrophobicContact CG-CG 4.33Å; E1623-K1625 WeakPolarHBondContact OE1-CE 3.39Å; E1623-K1625 IonicContact OE1-NZ 2.63Å; E1623-K1625 PolarHBondContact OE1-NZ 3.17Å; E1623-K1625 WeakPolarHBondContact OE2-CE 3.39Å; E1623-K1625 IonicContact OE2-NZ 2.74Å; E1623-K1625 PolarHBondContact OE2-NZ 3.35Å | ||
| 1624 | V | 83.8 | Confident | 60.6 | Low | 11 Ų | 11 | 87.5 Ų | 87.5 | 7% | 0.067 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 98.9 | 179.5 | -176.5 | 0 | 0 | 0 | 0 | 110 | I1545 I1547 K1598 D1601 T1602 I1622 | I1545-V1624 HydrophobicContact CG2-CG2 4.3Å; I1547-V1624 HydrophobicContact CG1-CG1 3.98Å; K1598-V1624 WeakPolarHBondContact O-CB 3.38Å; K1598-V1624 WeakPolarHBondContact O-CG1 3.31Å; K1598-V1624 WeakPolarHBondContact O-CG2 3.42Å; D1601-V1624 HydrophobicContact CB-CG2 4.2Å; T1602-V1624 PolarHBondContact OG1-N 3.16Å; I1622-V1624 HydrophobicContact CG2-CG2 4.37Å |
| 1625 | K | 66.7 | Low | 59.3 | Low | 90 Ų | 90 | 94.7 Ų | 94.7 | 39% | 0.391 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.8 | -173.1 | -65.9 | -169.6 | 171.9 | 178.7 | 0 | 112.4 | P1544 I1545 T1546 I1547 E1623 K1627 | P1544-K1625 HydrophobicContact CB-CD 4.41Å; I1545-K1625 PolarHBondContact O-N 2.81Å; T1546-K1625 WeakPolarHBondContact CA-O 3.33Å; T1546-K1625 WeakPolarHBondContact CB-O 3.5Å; I1547-K1625 PolarHBondContact N-O 3.44Å; E1623-K1625 HydrophobicContact CG-CG 4.33Å; E1623-K1625 WeakPolarHBondContact OE1-CE 3.39Å; E1623-K1625 IonicContact OE1-NZ 2.63Å; E1623-K1625 PolarHBondContact OE1-NZ 3.17Å; E1623-K1625 WeakPolarHBondContact OE2-CE 3.39Å; E1623-K1625 IonicContact OE2-NZ 2.74Å; E1623-K1625 PolarHBondContact OE2-NZ 3.35Å; K1625-K1627 PolarHBondContact O-N 2.83Å |
| 1626 | Q | 58.2 | Low | 57.1 | Low | 158 Ų | 158 | 97.3 Ų | 97.3 | 74% | 0.738 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 123.2 | 165.2 | -166.4 | 160.7 | 40.5 | 0 | 0 | 108.5 | I1547 S1628 | I1547-Q1626 HydrophobicContact CD1-CB 3.85Å; I1547-Q1626 HydrophobicContact CD1-CG 3.76Å; Q1626-S1628 PolarHBondContact O-N 3.4Å |
| 1627 | K | 43.1 | Very low | 54.7 | Low | 141 Ų | 141 | 103.2 Ų | 103.2 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 121.4 | -173.1 | -158.5 | 173.5 | -174.9 | 179.2 | 0 | 110 | K1625 E1631 | K1625-K1627 PolarHBondContact O-N 2.83Å; K1627-E1631 WeakPolarHBondContact CE-OE2 3.47Å; K1627-E1631 IonicContact NZ-OE2 2.68Å |
| 1628 | S | 32.5 | Very low | 51.9 | Low | 63 Ų | 63 | 105 Ų | 105 | 44% | 0.441 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 141.6 | -170.1 | 86.9 | 0 | 0 | 0 | 0 | 111.9 | Q1626 N1630 E1631 | Q1626-S1628 PolarHBondContact O-N 3.4Å; S1628-N1630 PolarHBondContact O-N 2.64Å; S1628-E1631 PolarHBondContact O-N 2.95Å |
| 1629 | V | 31 | Very low | 49.2 | Very low | 111 Ų | 111 | 107.9 Ų | 107.9 | 67% | 0.673 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -61.9 | -18.2 | -178.3 | -178 | 0 | 0 | 0 | 0 | 112.3 | E1631 I1632 | V1629-E1631 VanDerWaalsContact C-N 3.33Å; V1629-E1631 PolarHBondContact O-N 2.9Å; V1629-I1632 PolarHBondContact O-N 2.82Å |
| 1630 | N | 32.1 | Very low | 46.4 | Very low | 110 Ų | 110 | 112.7 Ų | 112.7 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -78.2 | -6.5 | -178 | -65.5 | -16.5 | 0 | 0 | 0 | 115.1 | S1628 | S1628-N1630 PolarHBondContact O-N 2.64Š|
| 1631 | E | 31.1 | Very low | 43.7 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 54% | 0.537 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -87.3 | -24.1 | 169 | -67.3 | -168.9 | 145.8 | 0 | 0 | 112.5 | K1627 S1628 V1629 | K1627-E1631 WeakPolarHBondContact CE-OE2 3.47Å; K1627-E1631 IonicContact NZ-OE2 2.68Å; S1628-E1631 PolarHBondContact O-N 2.95Å; V1629-E1631 VanDerWaalsContact C-N 3.33Å; V1629-E1631 PolarHBondContact O-N 2.9Å |
| 1632 | I | 33.1 | Very low | 41.4 | Very low | 136 Ų | 136 | 118.3 Ų | 118.3 | 70% | 0.697 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -25.6 | -176.8 | -61.7 | 175 | 0 | 0 | 0 | 111.2 | V1629 | V1629-I1632 PolarHBondContact O-N 2.82Š|
| 1633 | T | 30.6 | Very low | 38.6 | Very low | 94 Ų | 94 | 125.5 Ų | 125.5 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -87.1 | -9.2 | 178.4 | 38.4 | 0 | 0 | 0 | 0 | 114.8 | M1635 | T1633-M1635 VanDerWaalsContact C-N 3.35Å; T1633-M1635 PolarHBondContact O-N 2.88Å |
| 1634 | R | 29.6 | Very low | 36.1 | Very low | 215 Ų | 215 | 128.1 Ų | 128.1 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 11.3 | -177.3 | -70.8 | -178.2 | 176.3 | -173.8 | -1.2 | 115.1 | ||
| 1635 | M | 30 | Very low | 33.6 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 88% | 0.877 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | 24.9 | 169.7 | -68.3 | -173.4 | 170.6 | 0 | 0 | 112.5 | T1633 | T1633-M1635 VanDerWaalsContact C-N 3.35Å; T1633-M1635 PolarHBondContact O-N 2.88Å |
| 1636 | K | 25.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -144.4 | 143.3 | 173.9 | -70 | -169.5 | 172.4 | -166.4 | 0 | 110.7 | ||
| 1637 | E | 26.7 | Very low | 30.5 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | 56.8 | 80.2 | 157.3 | -65.4 | 140.9 | -130.7 | 0 | 0 | 114.3 | ||||
| 1638 | D | 27.7 | Very low | 29.7 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | 65.9 | 128.1 | 70.8 | -68 | -54.9 | 0 | 0 | 0 | 116.1 | |||||
| 1639 | S | 27 | Very low | 29.4 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | 65.9 | 150.5 | 172.4 | 75.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1640 | L | 27.5 | Very low | 29.3 | Very low | 169 Ų | 169 | 144 Ų | 144 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | cis | -140 | -175.6 | 29.1 | -85 | 160 | 0 | 0 | 0 | 113.2 | ||||
| 1641 | S | 27.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -111.4 | -175.4 | -169.7 | 72.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1642 | P | 37.7 | Very low | 28.9 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | -93.6 | -174.9 | -159.1 | 39.8 | -39.5 | 0 | 0 | 0 | 116.6 | ||||
| 1643 | N | 26.6 | Very low | 28.6 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | 89.1 | 125.4 | -173.2 | -52.3 | -21.5 | 0 | 0 | 0 | 112 | ||||
| 1644 | D | 29.3 | Very low | 28.4 | Very low | 157 Ų | 157 | 151 Ų | 151 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | -156.1 | 173.8 | 67.5 | -117.9 | -33.4 | 0 | 0 | 0 | 115.5 | |||||
| 1645 | H | 32.1 | Very low | 28.2 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -83.8 | 156.1 | 178.5 | -67.2 | -93.5 | 0 | 0 | 0 | 114.3 | ||||
| 1646 | I | 31.4 | Very low | 28.2 | Very low | 178 Ų | 178 | 147.2 Ų | 147.2 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | -156.2 | 158.8 | 135.5 | -106.6 | 152.9 | 0 | 0 | 0 | 110.7 | ||||
| 1647 | H | 28.1 | Very low | 28.2 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | -115.8 | 159.9 | -157 | -116.9 | -86 | 0 | 0 | 0 | 114.4 | ||||
| 1648 | N | 26.6 | Very low | 28.2 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | trans | 82 | 121.5 | 142.6 | -72.4 | -20.3 | 0 | 0 | 0 | 123.1 | ||||
| 1649 | K | 26.1 | Very low | 28.3 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | 83.8 | 111.1 | 128.7 | -69.4 | 175.8 | -179.3 | -176.5 | 0 | 121.4 | |||||
| 1650 | C | 28.8 | Very low | 28.5 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | 45.2 | 102.9 | 129.9 | -50.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 1651 | V | 27.3 | Very low | 28.3 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | -135.5 | 144.2 | 152.1 | -179.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 1652 | P | 26.7 | Very low | 28.1 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -93.3 | -171.8 | -156.7 | -9.1 | 30.3 | 0 | 0 | 0 | 117.6 | E1654 | P1652-E1654 VanDerWaalsContact C-N 3.26Å; P1652-E1654 PolarHBondContact O-N 2.72Å | ||
| 1653 | E | 27.9 | Very low | 27.6 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 5.6 | -162 | -64.8 | 168.2 | 108.5 | 0 | 0 | 118.8 | ||
| 1654 | E | 25.8 | Very low | 27.7 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -13 | -173.6 | -67.3 | -169.2 | 127.1 | 0 | 0 | 115.7 | P1652 V1656 | P1652-E1654 VanDerWaalsContact C-N 3.26Å; P1652-E1654 PolarHBondContact O-N 2.72Å; E1654-V1656 PolarHBondContact O-N 2.91Å |
| 1655 | Y | 26.4 | Very low | 27.7 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -77.3 | -18.7 | -169 | -155 | -102.2 | 0 | 0 | 0 | 115.2 | N1657 | Y1655-N1657 VanDerWaalsContact C-N 3.28Å; Y1655-N1657 PolarHBondContact O-N 2.67Å |
| 1656 | V | 30.4 | Very low | 27.6 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -68.5 | -24.5 | -172.2 | -178.7 | 0 | 0 | 0 | 0 | 113 | E1654 N1658 | E1654-V1656 PolarHBondContact O-N 2.91Å; V1656-N1658 PolarHBondContact O-N 2.91Å |
| 1657 | N | 25.8 | Very low | 27.8 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 67% | 0.674 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -86.4 | 2.3 | -171 | -74.7 | -33.9 | 0 | 0 | 0 | 115.9 | Y1655 I1660 | Y1655-N1657 VanDerWaalsContact C-N 3.28Å; Y1655-N1657 PolarHBondContact O-N 2.67Å; N1657-I1660 WeakPolarHBondContact O-CD1 3.28Å |
| 1658 | N | 26.6 | Very low | 27.7 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -122.6 | 3.1 | -168.2 | -90.8 | -51 | 0 | 0 | 0 | 117.5 | V1656 I1660 | V1656-N1658 PolarHBondContact O-N 2.91Å; N1658-I1660 PolarHBondContact O-N 2.88Å |
| 1659 | V | 30 | Very low | 27.9 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | -81 | 50.1 | 172.7 | -164.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1660 | I | 30.3 | Very low | 27.9 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 58% | 0.579 | 77% | 0.768 | S | S | * | * | trans | -102 | 133.1 | -178.5 | -68.9 | 172.7 | 0 | 0 | 0 | 108.8 | N1657 N1658 | N1657-I1660 WeakPolarHBondContact O-CD1 3.28Å; N1658-I1660 PolarHBondContact O-N 2.88Å | ||
| 1661 | K | 23.6 | Very low | 27.7 | Very low | 182 Ų | 182 | 140 Ų | 140 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | 91.1 | 147.2 | 175.1 | -59 | 133 | -175.1 | 167.5 | 0 | 117.7 | ||||
| 1662 | Q | 23 | Very low | 27.7 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 87.5 | 127.1 | 153.6 | -75.1 | 161.2 | -5.5 | 0 | 0 | 121.5 | ||||
| 1663 | T | 26.5 | Very low | 27.6 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | 77.7 | 103.8 | 160.7 | -22.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1664 | T | 29.2 | Very low | 27.5 | Very low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | 91.1 | 159.3 | 24.6 | 80.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1665 | V | 29.6 | Very low | 27.7 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 85.9 | 124 | -173.7 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1666 | I | 30.9 | Very low | 28.2 | Very low | 157 Ų | 157 | 142 Ų | 142 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | cis | -158 | -168.1 | -14.7 | -131.4 | -173.4 | 0 | 0 | 0 | 109.1 | ||||
| 1667 | P | 35.1 | Very low | 29.1 | Very low | 97 Ų | 97 | 137 Ų | 137 | 63% | 0.63 | 73% | 0.734 | S | S | * | * | trans | -126 | -143.7 | -145.5 | 41.6 | -18.2 | 0 | 0 | 0 | 115.5 | ||||
| 1668 | T | 26.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | trans | 97.4 | 57 | 171.5 | 77.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1669 | S | 30.2 | Very low | 31.3 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 89% | 0.888 | 68% | 0.678 | S | S | * | * | -168.8 | 127.6 | 113.5 | 29.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1670 | E | 26.5 | Very low | 32.2 | Very low | 182 Ų | 182 | 122.7 Ų | 122.7 | 85% | 0.85 | 65% | 0.649 | S | S | * | * | trans | -112.1 | 133.2 | -164.2 | -61.7 | 176 | 116.4 | 0 | 0 | 112.2 | ||||
| 1671 | S | 23.8 | Very low | 32.8 | Very low | 103 Ų | 103 | 118.5 Ų | 118.5 | 72% | 0.72 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 176.6 | -17.9 | 147.3 | 29 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1672 | Y | 26.7 | Very low | 33.8 | Very low | 214 Ų | 214 | 111.4 Ų | 111.4 | 84% | 0.839 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -115.5 | 10.9 | -160.7 | -76.3 | -81.4 | 0 | 0 | 0 | 119.1 | ||
| 1673 | L | 25.4 | Very low | 34.8 | Very low | 168 Ų | 168 | 109.2 Ų | 109.2 | 88% | 0.88 | 60% | 0.6 | S | S | * | * | trans | -131.4 | 92.6 | -178.6 | -76.4 | 170.5 | 0 | 0 | 0 | 113.7 | ||||
| 1674 | K | 26.5 | Very low | 35.8 | Very low | 217 Ų | 217 | 109.6 Ų | 109.6 | 94% | 0.943 | 60% | 0.597 | S | S | * | * | trans | -179.5 | 87.7 | 154.8 | -106.1 | 164.6 | -175.7 | 172.9 | 0 | 112.4 | ||||
| 1675 | A | 28.8 | Very low | 37.2 | Very low | 70 Ų | 70 | 105 Ų | 105 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | trans | -151.7 | 141.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1676 | K | 37.9 | Very low | 38.8 | Very low | 158 Ų | 158 | 105 Ų | 105 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | trans | -66.4 | 145 | 174.5 | -69.8 | -172.7 | 173.3 | -170.4 | 0 | 110.9 | R1700 | K1676-R1700 PolarHBondContact O-NH1 3.45Š| ||
| 1677 | S | 48.9 | Very low | 40.4 | Very low | 25 Ų | 25 | 97.8 Ų | 97.8 | 18% | 0.175 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -79.7 | -45.8 | 176.8 | -42.5 | 0 | 0 | 0 | 0 | 110.7 | I1699 R1700 E1776 | S1677-I1699 WeakPolarHBondContact O-CA 3.28Å; S1677-R1700 PolarHBondContact O-N 2.73Å; S1677-R1700 VanDerWaalsContact O-N 3.13Å; S1677-E1776 WeakPolarHBondContact CB-OE1 3.43Å; S1677-E1776 WeakPolarHBondContact CB-OE2 3.5Å; S1677-E1776 VanDerWaalsContact N-CD 3.34Å; S1677-E1776 PolarHBondContact N-OE1 3.26Å; S1677-E1776 PolarHBondContact N-OE2 3.12Å; S1677-E1776 VanDerWaalsContact OG-CD 3.29Å; S1677-E1776 PolarHBondContact OG-OE1 3.4Å |
| 1678 | I | 48.1 | Very low | 41.8 | Very low | 8 Ų | 8 | 94.6 Ų | 94.6 | 4% | 0.041 | 50% | 0.499 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 109.7 | 168.6 | -58.8 | 174.5 | 0 | 0 | 0 | 108.2 | Y1680 I1698 V1760 E1776 A1778 | I1678-Y1680 WeakPolarHBondContact CG2-O 3.49Å; I1678-I1698 WeakPolarHBondContact CA-O 3.22Å; I1678-V1760 HydrophobicContact CD1-CG2 3.94Å; I1678-V1760 HydrophobicContact CG1-CG2 4.07Å; I1678-E1776 WeakPolarHBondContact CB-OE2 3.39Å; I1678-E1776 HydrophobicContact CD1-CB 3.64Å; I1678-E1776 HydrophobicContact CG1-CB 3.92Å; I1678-E1776 WeakPolarHBondContact CG1-OE2 3.45Å; I1678-E1776 PolarHBondContact N-OE2 3.13Å; I1678-A1778 HydrophobicContact CD1-CB 4.11Å; I1678-A1778 HydrophobicContact CG2-CB 4.11Å |
| 1679 | I | 49.4 | Very low | 43.7 | Very low | 29 Ų | 29 | 92.9 Ų | 92.9 | 15% | 0.149 | 49% | 0.485 | C | S | . | . | trans | -79.4 | -33.6 | 179.5 | -47.8 | -175.2 | 0 | 0 | 0 | 110.7 | I1698 R1700 M1837 | I1679-I1698 HydrophobicContact CB-CB 4.26Å; I1679-I1698 HydrophobicContact CD1-CG2 4.15Å; I1679-I1698 HydrophobicContact CG1-CG2 4.39Å; I1679-I1698 PolarHBondContact N-O 2.94Å; I1679-R1700 HydrophobicContact CD1-CG 4.4Å; I1679-M1837 HydrophobicContact CG2-SD 3.73Å | ||
| 1680 | Y | 50 | Low | 44.9 | Very low | 49 Ų | 49 | 88.9 Ų | 88.9 | 19% | 0.192 | 46% | 0.463 | C | S | . | . | trans | -139.7 | 137.3 | 178.1 | -79.3 | -82.3 | 0 | 0 | 0 | 113.5 | I1678 C1697 I1698 F1830 M1837 Y1874 | I1678-Y1680 WeakPolarHBondContact CG2-O 3.49Å; Y1680-C1697 WeakPolarHBondContact O-CA 3.35Å; Y1680-I1698 HydrophobicContact CD2-CD1 4.2Å; Y1680-F1830 AromaticContact CD2-CE1 3.94Å; Y1680-F1830 HydrophobicContact CD2-CE1 3.94Å; Y1680-F1830 AromaticContact CD2-CZ 3.87Å; Y1680-F1830 HydrophobicContact CD2-CZ 3.87Å; Y1680-F1830 AromaticContact CE2-CD1 3.64Å; Y1680-F1830 HydrophobicContact CE2-CD1 3.64Å; Y1680-F1830 HydrophobicContact CE2-CD2 4.27Å; Y1680-F1830 AromaticContact CE2-CE1 3.21Å; Y1680-F1830 HydrophobicContact CE2-CE1 3.21Å; Y1680-F1830 AromaticContact CE2-CE2 3.89Å; Y1680-F1830 HydrophobicContact CE2-CE2 3.89Å; Y1680-F1830 HydrophobicContact CE2-CG 4.15Å; Y1680-F1830 AromaticContact CE2-CZ 3.35Å; Y1680-F1830 HydrophobicContact CE2-CZ 3.35Å; Y1680-F1830 AromaticContact CZ-CD1 3.66Å; Y1680-F1830 AromaticContact CZ-CE1 3.62Å; Y1680-F1830 VanDerWaalsContact OH-CD1 3.25Å; Y1680-F1830 WeakPolarHBondContact OH-CD1 3.45Å; Y1680-M1837 HydrophobicContact CE2-CE 4.2Å; Y1680-M1837 VanDerWaalsContact OH-CE 3.27Å; Y1680-M1837 WeakPolarHBondContact OH-CE 3.45Å; Y1680-Y1874 HydrophobicContact CE1-CE1 4.48Å | ||
| 1681 | G | 42.5 | Very low | 46.4 | Very low | 24 Ų | 24 | 81.8 Ų | 81.8 | 25% | 0.247 | 43% | 0.431 | C | S | . | . | trans | -130.7 | 162.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1682 | P | 44.4 | Very low | 48.1 | Very low | 33 Ų | 33 | 79.2 Ų | 79.2 | 21% | 0.214 | 41% | 0.411 | C | S | . | . | trans | -63.7 | 146 | -169.5 | -21.2 | 30.8 | 0 | 0 | 0 | 114.6 | L1695 C1780 | P1682-L1695 HydrophobicContact CG-CB 3.92Å; P1682-L1695 HydrophobicContact CG-CD1 4.45Å; P1682-L1695 HydrophobicContact CG-CD2 3.91Å; P1682-L1695 HydrophobicContact CG-CG 4.29Å; P1682-C1780 HydrophobicContact CB-CB 3.67Å; P1682-C1780 HydrophobicContact CG-CB 3.99Å; P1682-C1780 VanDerWaalsContact CG-SG 3.57Å; P1682-C1780 WeakPolarHBondContact O-CB 3.23Å | ||
| 1683 | L | 44.7 | Very low | 50.1 | Low | 134 Ų | 134 | 69.2 Ų | 69.2 | 70% | 0.702 | 37% | 0.372 | S | S | * | . | trans | -72.1 | 154.5 | 155.7 | -68.3 | 86.1 | 0 | 0 | 0 | 108.7 | T1685 | L1683-T1685 PolarHBondContact O-N 2.95Å; L1683-T1685 PolarHBondContact O-OG1 2.78Å | ||
| 1684 | D | 47.9 | Very low | 52.1 | Low | 128 Ų | 128 | 65.9 Ų | 65.9 | 68% | 0.684 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -44.7 | 112.5 | -175.5 | -58.3 | -35.6 | 0 | 0 | 0 | 112.5 | W1781 | D1684-W1781 WeakPolarHBondContact CA-O 3.47Å; D1684-W1781 WeakPolarHBondContact OD1-CB 3.37Å |
| 1685 | T | 58 | Low | 54.3 | Low | 27 Ų | 27 | 55.5 Ų | 55.5 | 17% | 0.166 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.6 | -161.5 | -38.2 | 0 | 0 | 0 | 0 | 111.2 | L1683 V1687 L1693 W1781 D1783 | L1683-T1685 PolarHBondContact O-N 2.95Å; L1683-T1685 PolarHBondContact O-OG1 2.78Å; T1685-V1687 HydrophobicContact CG2-CG2 4.43Å; T1685-L1693 HydrophobicContact CG2-CD1 4.02Å; T1685-W1781 PolarHBondContact N-O 3.36Å; T1685-D1783 PolarHBondContact O-N 3.04Å |
| 1686 | K | 62.7 | Low | 55.9 | Low | 128 Ų | 128 | 53.9 Ų | 53.9 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.8 | 171.7 | -70.7 | -170.1 | 165.9 | -159.9 | 0 | 111.7 | D1783 E1785 | K1686-D1783 WeakPolarHBondContact CA-O 3.36Å; K1686-D1783 HydrophobicContact CG-CB 4.36Å; K1686-E1785 WeakPolarHBondContact CE-OE1 3.28Å; K1686-E1785 IonicContact NZ-OE1 3.66Å; K1686-E1785 PolarHBondContact NZ-OE1 2.9Å |
| 1687 | V | 65.2 | Low | 57.2 | Low | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.036 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.9 | -177 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | T1685 D1691 L1693 V1748 D1783 V1784 E1785 | T1685-V1687 HydrophobicContact CG2-CG2 4.43Å; V1687-D1691 HydrophobicContact CG1-CB 3.69Å; V1687-L1693 HydrophobicContact CG2-CB 4.25Å; V1687-L1693 HydrophobicContact CG2-CD1 3.85Å; V1687-L1693 HydrophobicContact CG2-CD2 4.12Å; V1687-L1693 HydrophobicContact CG2-CG 4.29Å; V1687-V1748 HydrophobicContact CG1-CB 3.88Å; V1687-V1748 HydrophobicContact CG1-CG1 3.82Å; V1687-V1748 HydrophobicContact CG1-CG2 4.11Å; V1687-D1783 PolarHBondContact N-O 2.9Å; V1687-V1784 CarbonylContact O-C 3.4Å; V1687-V1784 VanDerWaalsContact O-CA 3.31Å; V1687-V1784 WeakPolarHBondContact O-CA 3.28Å; V1687-E1785 PolarHBondContact O-N 2.74Å |
| 1688 | N | 63.7 | Low | 57.6 | Low | 31 Ų | 31 | 46 Ų | 46 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 148.7 | 175.2 | -57.9 | -14.4 | 0 | 0 | 0 | 110.4 | G1690 D1691 S1789 K1793 | N1688-G1690 PolarHBondContact O-N 2.96Å; N1688-G1690 VanDerWaalsContact O-N 3.16Å; N1688-D1691 WeakPolarHBondContact CA-OD2 3.37Å; N1688-D1691 WeakPolarHBondContact CB-OD2 3.38Å; N1688-D1691 PolarHBondContact N-OD2 3.14Å; N1688-D1691 WeakPolarHBondContact O-CB 3.49Å; N1688-D1691 PolarHBondContact O-N 2.82Å; N1688-D1691 VanDerWaalsContact O-N 3.09Å; N1688-S1789 PolarHBondContact ND2-OG 2.65Å; N1688-K1793 PolarHBondContact ND2-NZ 3.49Å |
| 1689 | I | 66.6 | Low | 58.1 | Low | 90 Ų | 90 | 45.9 Ų | 45.9 | 46% | 0.462 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 121.9 | 176.4 | -59.8 | 170.3 | 0 | 0 | 0 | 110.8 | V1748 V1750 V1784 E1785 | I1689-V1748 WeakPolarHBondContact CA-O 3.4Å; I1689-V1750 HydrophobicContact CD1-CG2 3.73Å; I1689-V1750 HydrophobicContact CG1-CG2 4.21Å; I1689-V1784 HydrophobicContact CG1-CG1 3.61Å; I1689-E1785 PolarHBondContact N-O 3.38Å |
| 1690 | G | 54.8 | Low | 58.2 | Low | 42 Ų | 42 | 47.7 Ų | 47.7 | 43% | 0.433 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -7.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1688 V1748 | N1688-G1690 PolarHBondContact O-N 2.96Å; N1688-G1690 VanDerWaalsContact O-N 3.16Å; G1690-V1748 PolarHBondContact N-O 3.29Å |
| 1691 | D | 59.5 | Low | 58 | Low | 34 Ų | 34 | 55.6 Ų | 55.6 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | trans | -62.3 | 169 | 170.1 | -76.4 | -32.5 | 0 | 0 | 0 | 112.1 | V1687 N1688 S1747 V1748 K1793 | V1687-D1691 HydrophobicContact CG1-CB 3.69Å; N1688-D1691 WeakPolarHBondContact CA-OD2 3.37Å; N1688-D1691 WeakPolarHBondContact CB-OD2 3.38Å; N1688-D1691 PolarHBondContact N-OD2 3.14Å; N1688-D1691 WeakPolarHBondContact O-CB 3.49Å; N1688-D1691 PolarHBondContact O-N 2.82Å; N1688-D1691 VanDerWaalsContact O-N 3.09Å; D1691-S1747 CarbonylContact O-C 3.59Å; D1691-S1747 WeakPolarHBondContact O-CA 3.46Å; D1691-S1747 PolarHBondContact O-N 2.62Å; D1691-S1747 VanDerWaalsContact O-N 3.08Å; D1691-V1748 PolarHBondContact O-N 3.29Å; D1691-K1793 IonicContact OD1-NZ 2.71Å; D1691-K1793 PolarHBondContact OD1-NZ 2.87Å; D1691-K1793 IonicContact OD2-NZ 2.67Å; D1691-K1793 PolarHBondContact OD2-NZ 2.7Å | ||
| 1692 | T | 59.8 | Low | 58.1 | Low | 48 Ų | 48 | 57.5 Ų | 57.5 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | trans | -103.2 | 130.7 | 161.4 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | E1744 L1745 K1746 | T1692-E1744 HydrophobicContact CG2-CG 3.88Å; T1692-L1745 CarbonylContact C-O 3.49Å; T1692-L1745 WeakPolarHBondContact CA-O 3.24Å; T1692-L1745 WeakPolarHBondContact CG2-O 3.24Å; T1692-K1746 HydrophobicContact CG2-CG 3.96Å | ||
| 1693 | L | 68.1 | Low | 58.1 | Low | 4 Ų | 4 | 63.8 Ų | 63.8 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.7 | 176 | 173.3 | 60.7 | 0 | 0 | 0 | 110.1 | T1685 V1687 L1695 L1745 V1748 V1782 | T1685-L1693 HydrophobicContact CG2-CD1 4.02Å; V1687-L1693 HydrophobicContact CG2-CB 4.25Å; V1687-L1693 HydrophobicContact CG2-CD1 3.85Å; V1687-L1693 HydrophobicContact CG2-CD2 4.12Å; V1687-L1693 HydrophobicContact CG2-CG 4.29Å; L1693-L1695 HydrophobicContact CD1-CD2 3.66Å; L1693-L1695 HydrophobicContact CD2-CD2 3.86Å; L1693-L1695 HydrophobicContact CG-CD2 3.63Å; L1693-L1745 HydrophobicContact CB-CB 4.28Å; L1693-L1745 HydrophobicContact CD2-CD1 4.03Å; L1693-L1745 HydrophobicContact CG-CD1 4.38Å; L1693-L1745 PolarHBondContact N-O 3.12Å; L1693-L1745 PolarHBondContact O-N 3.35Å; L1693-V1748 HydrophobicContact CB-CG2 3.62Å; L1693-V1782 HydrophobicContact CD2-CB 4.34Å; L1693-V1782 HydrophobicContact CD2-CG1 3.5Å; L1693-V1782 VanDerWaalsContact CD2-CG1 3.5Å; L1693-V1782 HydrophobicContact CD2-CG2 3.83Å |
| 1694 | R | 67.6 | Low | 58.1 | Low | 98 Ų | 98 | 62.6 Ų | 62.6 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 120.5 | 177.3 | -67.6 | 174.4 | 179.6 | 140.2 | 1 | 109.4 | F1696 L1743 E1744 Q1877 | R1694-F1696 HydrophobicContact CB-CE1 4.47Å; R1694-F1696 HydrophobicContact CB-CE2 4.03Å; R1694-F1696 HydrophobicContact CB-CZ 3.79Å; R1694-L1743 WeakPolarHBondContact CA-O 3.35Å; R1694-E1744 HydrophobicContact CG-CB 4.41Å; R1694-E1744 HydrophobicContact CG-CG 4.06Å; R1694-E1744 IonicContact CZ-OE1 2.65Å; R1694-E1744 IonicContact NE-OE1 2.65Å; R1694-E1744 PolarHBondContact NE-OE1 3.43Å; R1694-E1744 IonicContact NH2-OE1 2.64Å; R1694-E1744 PolarHBondContact NH2-OE1 3.05Å; R1694-Q1877 PolarHBondContact NH1-O 3.5Å |
| 1695 | L | 71.6 | Confident | 57.8 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 142.3 | 171.9 | -38.3 | -171.8 | 0 | 0 | 0 | 108.4 | P1682 L1693 W1710 I1742 L1743 Y1756 V1782 | P1682-L1695 HydrophobicContact CG-CB 3.92Å; P1682-L1695 HydrophobicContact CG-CD1 4.45Å; P1682-L1695 HydrophobicContact CG-CD2 3.91Å; P1682-L1695 HydrophobicContact CG-CG 4.29Å; L1693-L1695 HydrophobicContact CD1-CD2 3.66Å; L1693-L1695 HydrophobicContact CD2-CD2 3.86Å; L1693-L1695 HydrophobicContact CG-CD2 3.63Å; L1695-W1710 HydrophobicContact CB-CH2 3.78Å; L1695-W1710 HydrophobicContact CB-CZ3 3.78Å; L1695-W1710 HydrophobicContact CD1-CZ3 4.11Å; L1695-I1742 WeakPolarHBondContact O-CA 3.49Å; L1695-L1743 HydrophobicContact CB-CB 4.27Å; L1695-L1743 HydrophobicContact CD1-CD2 3.87Å; L1695-L1743 HydrophobicContact CG-CB 4.49Å; L1695-L1743 HydrophobicContact CG-CD2 4.27Å; L1695-L1743 PolarHBondContact N-O 3.24Å; L1695-L1743 PolarHBondContact O-N 3.12Å; L1695-Y1756 VanDerWaalsContact CD1-CB 3.46Å; L1695-Y1756 HydrophobicContact CD1-CD1 3.99Å; L1695-Y1756 HydrophobicContact CD1-CD2 4.38Å; L1695-Y1756 HydrophobicContact CD1-CG 3.69Å; L1695-V1782 HydrophobicContact CD2-CG2 4.44Å |
| 1696 | F | 62.1 | Low | 57.9 | Low | 35 Ų | 35 | 62.6 Ų | 62.6 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 143.5 | -175.3 | -54.3 | -86.7 | 0 | 0 | 0 | 110.2 | R1694 F1740 I1742 L1879 | R1694-F1696 HydrophobicContact CB-CE1 4.47Å; R1694-F1696 HydrophobicContact CB-CE2 4.03Å; R1694-F1696 HydrophobicContact CB-CZ 3.79Å; F1696-F1740 HydrophobicContact CB-CE1 4.47Å; F1696-F1740 HydrophobicContact CD1-CE1 4.03Å; F1696-I1742 HydrophobicContact CD1-CD1 4.26Å; F1696-I1742 HydrophobicContact CD1-CG1 4.04Å; F1696-I1742 HydrophobicContact CE1-CD1 4.2Å; F1696-I1742 HydrophobicContact CE1-CG1 4.42Å; F1696-I1742 HydrophobicContact CE1-CG2 4.48Å; F1696-L1879 HydrophobicContact CZ-CB 4.49Å |
| 1697 | C | 65 | Low | 57.8 | Low | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 137.3 | 168.6 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | Y1680 W1710 Y1741 V1758 | Y1680-C1697 WeakPolarHBondContact O-CA 3.35Å; C1697-W1710 HydrophobicContact CB-CH2 4.19Å; C1697-W1710 HydrophobicContact CB-CZ2 4.08Å; C1697-Y1741 PolarHBondContact N-O 2.87Å; C1697-Y1741 PolarHBondContact O-N 3.46Å; C1697-V1758 HydrophobicContact CB-CG1 4.29Å; C1697-V1758 HydrophobicContact CB-CG2 4.17Å |
| 1698 | I | 57.3 | Low | 57.9 | Low | 18 Ų | 18 | 62.7 Ų | 62.7 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120.6 | -179.3 | -52.8 | 178 | 0 | 0 | 0 | 107.6 | I1678 I1679 Y1680 F1740 F1830 | I1678-I1698 WeakPolarHBondContact CA-O 3.22Å; I1679-I1698 HydrophobicContact CB-CB 4.26Å; I1679-I1698 HydrophobicContact CD1-CG2 4.15Å; I1679-I1698 HydrophobicContact CG1-CG2 4.39Å; I1679-I1698 PolarHBondContact N-O 2.94Å; Y1680-I1698 HydrophobicContact CD2-CD1 4.2Å; I1698-F1740 HydrophobicContact CD1-CD2 4.29Å; I1698-F1740 HydrophobicContact CD1-CE1 4.35Å; I1698-F1740 HydrophobicContact CD1-CE2 3.47Å; I1698-F1740 VanDerWaalsContact CD1-CE2 3.47Å; I1698-F1740 HydrophobicContact CD1-CZ 3.5Å; I1698-F1740 HydrophobicContact CG1-CD1 4.44Å; I1698-F1740 HydrophobicContact CG1-CD2 3.98Å; I1698-F1740 HydrophobicContact CG1-CE1 4.11Å; I1698-F1740 HydrophobicContact CG1-CE2 3.62Å; I1698-F1740 HydrophobicContact CG1-CG 4.39Å; I1698-F1740 HydrophobicContact CG1-CZ 3.69Å; I1698-F1740 HydrophobicContact CG2-CD2 4.37Å; I1698-F1740 HydrophobicContact CG2-CE2 4.43Å; I1698-F1830 HydrophobicContact CD1-CZ 4.43Å |
| 1699 | I | 59.2 | Low | 58 | Low | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -113 | 125.2 | -177.1 | -51.3 | -178.1 | 0 | 0 | 0 | 108.7 | S1677 M1702 V1708 G1739 Y1741 V1760 | S1677-I1699 WeakPolarHBondContact O-CA 3.28Å; I1699-M1702 HydrophobicContact CG2-CE 4.36Å; I1699-V1708 HydrophobicContact CD1-CG2 3.42Å; I1699-V1708 VanDerWaalsContact CD1-CG2 3.42Å; I1699-G1739 PolarHBondContact N-O 3.07Å; I1699-Y1741 HydrophobicContact CD1-CD2 3.87Å; I1699-Y1741 HydrophobicContact CD1-CE2 3.6Å; I1699-Y1741 HydrophobicContact CG1-CD2 4.11Å; I1699-Y1741 HydrophobicContact CG1-CE2 4.08Å; I1699-V1760 HydrophobicContact CD1-CB 4.43Å; I1699-V1760 HydrophobicContact CD1-CG1 4Å; I1699-V1760 HydrophobicContact CD1-CG2 3.51Å; I1699-V1760 HydrophobicContact CG1-CG2 4.27Å |
| 1700 | R | 51.9 | Low | 58.3 | Low | 67 Ų | 67 | 60.4 Ų | 60.4 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | trans | -55.4 | 143.8 | 169.9 | -85.2 | -171.9 | 166.1 | 86.9 | -4.6 | 110.6 | K1676 S1677 I1679 M1702 D1836 | K1676-R1700 PolarHBondContact O-NH1 3.45Å; S1677-R1700 PolarHBondContact O-N 2.73Å; S1677-R1700 VanDerWaalsContact O-N 3.13Å; I1679-R1700 HydrophobicContact CD1-CG 4.4Å; R1700-M1702 PolarHBondContact O-N 2.98Å; R1700-M1702 VanDerWaalsContact O-N 3.12Å; R1700-D1836 IonicContact CZ-OD1 2.9Å; R1700-D1836 IonicContact NE-OD1 3.23Å; R1700-D1836 PolarHBondContact NE-OD1 2.92Å; R1700-D1836 VanDerWaalsContact NE-OD1 3.14Å; R1700-D1836 IonicContact NH2-OD1 2.68Å; R1700-D1836 PolarHBondContact NH2-OD1 3.29Å | ||
| 1701 | R | 46 | Very low | 59.1 | Low | 215 Ų | 215 | 59.3 Ų | 59.3 | 81% | 0.811 | 28% | 0.275 | S | S | * | . | trans | -51.8 | 117.9 | 176.8 | -78.5 | -178.5 | 170.9 | 168.7 | -1.4 | 111 | ||||
| 1702 | M | 44.2 | Very low | 60 | Low | 64 Ų | 64 | 59.3 Ų | 59.3 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | trans | -111.8 | 161.8 | 169.1 | -60.5 | -173.3 | -171.5 | 0 | 0 | 110.5 | I1699 R1700 F1706 I1775 | I1699-M1702 HydrophobicContact CG2-CE 4.36Å; R1700-M1702 PolarHBondContact O-N 2.98Å; R1700-M1702 VanDerWaalsContact O-N 3.12Å; M1702-F1706 HydrophobicContact CB-CD1 3.92Å; M1702-F1706 HydrophobicContact CB-CE1 3.69Å; M1702-I1775 HydrophobicContact CE-CG2 4.13Å; M1702-I1775 HydrophobicContact SD-CD1 4.11Å; M1702-I1775 HydrophobicContact SD-CG2 4.5Å | ||
| 1703 | Q | 44.6 | Very low | 60.8 | Low | 165 Ų | 165 | 61.2 Ų | 61.2 | 77% | 0.771 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -99.5 | -6.5 | -171.1 | -67.8 | 178.2 | -19.4 | 0 | 0 | 115 | ||
| 1704 | E | 43.9 | Very low | 60.5 | Low | 110 Ų | 110 | 64.1 Ų | 64.1 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -112.6 | 159.7 | -179.3 | -66.8 | -176.4 | 163.2 | 0 | 0 | 110.5 | F1706 R1762 | E1704-F1706 WeakPolarHBondContact O-CD1 3.39Å; E1704-F1706 VanDerWaalsContact O-CE1 3.24Å; E1704-F1706 WeakPolarHBondContact O-CE1 3.32Å; E1704-F1706 PolarHBondContact O-N 3.07Å; E1704-R1762 IonicContact OE2-NH1 3.66Å; E1704-R1762 PolarHBondContact OE2-NH1 3.22Å |
| 1705 | P | 42.9 | Very low | 60.3 | Low | 100 Ų | 100 | 66.8 Ų | 66.8 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | trans | -69.9 | 120.5 | 175.8 | 27 | -34.1 | 0 | 0 | 0 | 112.7 | ||||
| 1706 | F | 59.3 | Low | 60 | Low | 55 Ų | 55 | 71.2 Ų | 71.2 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 143.8 | 177.4 | 44.1 | -94.4 | 0 | 0 | 0 | 112.4 | M1702 E1704 Y1741 V1760 S1761 I1775 | M1702-F1706 HydrophobicContact CB-CD1 3.92Å; M1702-F1706 HydrophobicContact CB-CE1 3.69Å; E1704-F1706 WeakPolarHBondContact O-CD1 3.39Å; E1704-F1706 VanDerWaalsContact O-CE1 3.24Å; E1704-F1706 WeakPolarHBondContact O-CE1 3.32Å; E1704-F1706 PolarHBondContact O-N 3.07Å; F1706-Y1741 WeakPolarHBondContact CE2-OH 3.37Å; F1706-V1760 HydrophobicContact CB-CG1 4.22Å; F1706-S1761 CarbonylContact C-O 3.58Å; F1706-S1761 WeakPolarHBondContact CA-O 3.48Å; F1706-I1775 HydrophobicContact CB-CD1 4.24Å |
| 1707 | F | 60.1 | Low | 60.1 | Low | 106 Ų | 106 | 71 Ų | 71 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.7 | 179.2 | -66.2 | -99.4 | 0 | 0 | 0 | 110.2 | S1761 V1763 | F1707-S1761 PolarHBondContact N-O 3.21Å; F1707-S1761 PolarHBondContact O-N 3.2Å; F1707-S1761 PolarHBondContact O-OG 3.49Å; F1707-V1763 HydrophobicContact CD2-CG2 3.77Å; F1707-V1763 HydrophobicContact CE2-CG2 3.48Å; F1707-V1763 VanDerWaalsContact CE2-CG2 3.48Å; F1707-V1763 HydrophobicContact CZ-CG2 4.43Å |
| 1708 | V | 67 | Low | 59.3 | Low | 30 Ų | 30 | 78 Ų | 78 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.8 | 179.5 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | I1699 Y1741 V1758 T1759 V1760 | I1699-V1708 HydrophobicContact CD1-CG2 3.42Å; I1699-V1708 VanDerWaalsContact CD1-CG2 3.42Å; V1708-Y1741 HydrophobicContact CB-CD1 4Å; V1708-Y1741 HydrophobicContact CB-CE1 3.97Å; V1708-Y1741 HydrophobicContact CB-CG 4.42Å; V1708-Y1741 HydrophobicContact CG1-CD1 4.16Å; V1708-Y1741 HydrophobicContact CG1-CG 4.19Å; V1708-Y1741 HydrophobicContact CG2-CD1 4.01Å; V1708-Y1741 HydrophobicContact CG2-CD2 4.17Å; V1708-Y1741 HydrophobicContact CG2-CE1 3.65Å; V1708-Y1741 HydrophobicContact CG2-CE2 3.85Å; V1708-Y1741 HydrophobicContact CG2-CG 4.26Å; V1708-V1758 HydrophobicContact CG1-CG2 3.56Å; V1708-T1759 WeakPolarHBondContact CA-O 3.48Å; V1708-V1760 HydrophobicContact CG2-CG2 4.48Å |
| 1709 | H | 67.4 | Low | 58.7 | Low | 55 Ų | 55 | 82.4 Ų | 82.4 | 26% | 0.255 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.5 | -178.9 | -59.2 | 91.6 | 0 | 0 | 0 | 110.1 | V1758 T1759 S1761 | H1709-V1758 CarbonylContact O-C 3.54Å; H1709-V1758 WeakPolarHBondContact O-CA 3.35Å; H1709-T1759 PolarHBondContact N-O 2.84Å; H1709-T1759 PolarHBondContact O-N 2.61Å; H1709-T1759 PolarHBondContact O-OG1 2.99Å; H1709-S1761 PolarHBondContact CE1-OG 3.49Å; H1709-S1761 PolarHBondContact ND1-OG 2.86Å |
| 1710 | W | 72.6 | Confident | 57.4 | Low | 17 Ų | 17 | 87.7 Ų | 87.7 | 6% | 0.064 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 139 | 169.5 | -69.9 | 95.3 | 0 | 0 | 0 | 110.3 | L1695 C1697 I1716 L1717 L1743 G1757 V1758 | L1695-W1710 HydrophobicContact CB-CH2 3.78Å; L1695-W1710 HydrophobicContact CB-CZ3 3.78Å; L1695-W1710 HydrophobicContact CD1-CZ3 4.11Å; C1697-W1710 HydrophobicContact CB-CH2 4.19Å; C1697-W1710 HydrophobicContact CB-CZ2 4.08Å; W1710-I1716 WeakPolarHBondContact O-CA 3.34Å; W1710-L1717 HydrophobicContact CB-CD1 4.25Å; W1710-L1717 PolarHBondContact O-N 3.16Å; W1710-L1743 HydrophobicContact CD2-CB 3.75Å; W1710-L1743 HydrophobicContact CD2-CD2 4.29Å; W1710-L1743 HydrophobicContact CD2-CG 4.46Å; W1710-L1743 HydrophobicContact CE3-CB 3.93Å; W1710-L1743 HydrophobicContact CE3-CD2 3.98Å; W1710-L1743 HydrophobicContact CG-CB 4.29Å; W1710-L1743 HydrophobicContact CG-CD1 4.41Å; W1710-L1743 HydrophobicContact CH2-CB 4.13Å; W1710-L1743 HydrophobicContact CZ2-CB 3.95Å; W1710-L1743 HydrophobicContact CZ3-CB 4.12Å; W1710-G1757 CarbonylContact C-O 3.49Å; W1710-G1757 WeakPolarHBondContact CA-O 3.41Å; W1710-V1758 HydrophobicContact CD2-CB 4.3Å; W1710-V1758 HydrophobicContact CD2-CG2 4.29Å; W1710-V1758 HydrophobicContact CE3-CB 3.95Å; W1710-V1758 HydrophobicContact CE3-CG2 4.42Å; W1710-V1758 HydrophobicContact CH2-CB 4.43Å; W1710-V1758 HydrophobicContact CZ3-CB 4.03Å |
| 1711 | T | 71.4 | Confident | 56.4 | Low | 20 Ų | 20 | 87.8 Ų | 87.8 | 12% | 0.123 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 149.3 | 174.3 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | Q1715 I1716 Y1756 G1757 | T1711-Q1715 CarbonylContact C-O 3.56Å; T1711-Q1715 WeakPolarHBondContact CA-O 3.24Å; T1711-I1716 HydrophobicContact CG2-CG1 4.06Å; T1711-Y1756 CarbonylContact O-C 3.55Å; T1711-Y1756 VanDerWaalsContact O-CA 3.31Å; T1711-Y1756 WeakPolarHBondContact O-CA 3.04Å; T1711-G1757 PolarHBondContact N-O 2.9Å; T1711-G1757 PolarHBondContact O-N 3.11Å; T1711-G1757 VanDerWaalsContact OG1-CA 3.3Å; T1711-G1757 WeakPolarHBondContact OG1-CA 3.37Å; T1711-G1757 PolarHBondContact OG1-N 3.12Å |
| 1712 | H | 78.4 | Confident | 55.7 | Low | 33 Ų | 33 | 83.7 Ų | 83.7 | 15% | 0.153 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.3 | 166.5 | 178.5 | -136.5 | 0 | 0 | 0 | 108.5 | G1714 Q1715 L1717 F1755 Y1756 | H1712-G1714 PolarHBondContact O-N 2.95Å; H1712-G1714 VanDerWaalsContact O-N 3.15Å; H1712-Q1715 PolarHBondContact N-O 3.24Å; H1712-Q1715 PolarHBondContact O-N 2.76Å; H1712-L1717 HydrophobicContact CB-CD1 4.28Å; H1712-L1717 HydrophobicContact CB-CD2 3.9Å; H1712-L1717 HydrophobicContact CB-CG 4.24Å; H1712-F1755 CarbonylContact C-O 3.5Å; H1712-F1755 WeakPolarHBondContact CA-O 3.47Å; H1712-Y1756 HydrophobicContact CB-CD1 4.07Å; H1712-Y1756 HydrophobicContact CB-CE1 3.87Å; H1712-Y1756 AromaticContact CD2-CD2 3.83Å; H1712-Y1756 AromaticContact CD2-CE1 3.62Å; H1712-Y1756 AromaticContact CD2-CE2 3.4Å; H1712-Y1756 VanDerWaalsContact CD2-CE2 3.4Å; H1712-Y1756 WeakPolarHBondContact CD2-CE2 3.25Å; H1712-Y1756 AromaticContact CD2-CZ 3.3Å; H1712-Y1756 AromaticContact CG-CE1 3.78Å; H1712-Y1756 AromaticContact CG-CZ 3.82Å; H1712-Y1756 AromaticContact NE2-CE2 3.67Å; H1712-Y1756 AromaticContact NE2-CZ 3.64Å |
| 1713 | N | 75.6 | Confident | 54.9 | Low | 89 Ų | 89 | 86.4 Ų | 86.4 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 41.8 | -173.4 | -61.1 | -44 | 0 | 0 | 0 | 112.8 | Q1715 G1754 F1755 | N1713-Q1715 VanDerWaalsContact C-N 3.33Å; N1713-Q1715 PolarHBondContact O-N 3.17Å; N1713-G1754 WeakPolarHBondContact OD1-CA 3.37Å; N1713-F1755 PolarHBondContact N-O 3.47Å; N1713-F1755 PolarHBondContact OD1-N 3.38Å |
| 1714 | G | 62 | Low | 54.2 | Low | 65 Ų | 65 | 85.7 Ų | 85.7 | 67% | 0.67 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -9.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | H1712 | H1712-G1714 PolarHBondContact O-N 2.95Å; H1712-G1714 VanDerWaalsContact O-N 3.15Å |
| 1715 | Q | 63.4 | Low | 53.6 | Low | 153 Ų | 153 | 88.3 Ų | 88.3 | 72% | 0.715 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.8 | 178.4 | -61.3 | -171.5 | -1.1 | 0 | 0 | 111.8 | T1711 H1712 N1713 L1717 | T1711-Q1715 CarbonylContact C-O 3.56Å; T1711-Q1715 WeakPolarHBondContact CA-O 3.24Å; H1712-Q1715 PolarHBondContact N-O 3.24Å; H1712-Q1715 PolarHBondContact O-N 2.76Å; N1713-Q1715 VanDerWaalsContact C-N 3.33Å; N1713-Q1715 PolarHBondContact O-N 3.17Å; Q1715-L1717 PolarHBondContact O-N 2.95Å |
| 1716 | I | 65.4 | Low | 53 | Low | 93 Ų | 93 | 85.6 Ų | 85.6 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 122.7 | 177.1 | -59.8 | 171.8 | 0 | 0 | 0 | 110.5 | W1710 T1711 K1718 | W1710-I1716 WeakPolarHBondContact O-CA 3.34Å; T1711-I1716 HydrophobicContact CG2-CG1 4.06Å; I1716-K1718 PolarHBondContact O-N 3.37Å |
| 1717 | L | 63.6 | Low | 51.6 | Low | 30 Ų | 30 | 87.7 Ų | 87.7 | 16% | 0.157 | 49% | 0.486 | C | S | . | . | trans | -75.4 | 109.8 | 178.3 | -65.1 | 177.8 | 0 | 0 | 0 | 110.6 | W1710 H1712 Q1715 I1729 L1743 Y1756 | W1710-L1717 HydrophobicContact CB-CD1 4.25Å; W1710-L1717 PolarHBondContact O-N 3.16Å; H1712-L1717 HydrophobicContact CB-CD1 4.28Å; H1712-L1717 HydrophobicContact CB-CD2 3.9Å; H1712-L1717 HydrophobicContact CB-CG 4.24Å; Q1715-L1717 PolarHBondContact O-N 2.95Å; L1717-I1729 HydrophobicContact CD2-CD1 4.14Å; L1717-L1743 HydrophobicContact CD1-CD1 3.83Å; L1717-L1743 HydrophobicContact CD1-CD2 3.94Å; L1717-Y1756 HydrophobicContact CD1-CE1 4.45Å | ||
| 1718 | K | 50.1 | Low | 50.3 | Low | 148 Ų | 148 | 84 Ų | 84 | 64% | 0.643 | 48% | 0.479 | S | S | * | . | trans | -102.6 | 132.1 | 178.5 | -65.2 | -177.3 | -179.8 | -179.1 | 0 | 111.4 | I1716 S1720 A1721 | I1716-K1718 PolarHBondContact O-N 3.37Å; K1718-S1720 PolarHBondContact O-N 3.19Å; K1718-A1721 HydrophobicContact CB-CB 4.11Å; K1718-A1721 PolarHBondContact O-N 3.41Å | ||
| 1719 | N | 42.8 | Very low | 48.8 | Very low | 111 Ų | 111 | 85 Ų | 85 | 59% | 0.594 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 0.7 | 179.1 | -87.5 | -7.4 | 0 | 0 | 0 | 115.9 | T1731 | N1719-T1731 PolarHBondContact ND2-O 3.5Å; N1719-T1731 PolarHBondContact ND2-OG1 3.2Å; N1719-T1731 VanDerWaalsContact ND2-OG1 3.09Å; N1719-T1731 PolarHBondContact OD1-OG1 2.99Å |
| 1720 | S | 32.8 | Very low | 47.5 | Very low | 116 Ų | 116 | 86.7 Ų | 86.7 | 81% | 0.811 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132 | 11.6 | -170.8 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | K1718 | K1718-S1720 PolarHBondContact O-N 3.19Š|
| 1721 | A | 30.4 | Very low | 45.8 | Very low | 69 Ų | 69 | 87.2 Ų | 87.2 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | trans | -120.9 | -2.4 | -161 | 0 | 0 | 0 | 0 | 0 | 117.4 | K1718 | K1718-A1721 HydrophobicContact CB-CB 4.11Å; K1718-A1721 PolarHBondContact O-N 3.41Å | ||
| 1722 | L | 32 | Very low | 44.3 | Very low | 129 Ų | 129 | 94.3 Ų | 94.3 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | trans | -123 | 85.7 | -176 | -87 | 162.8 | 0 | 0 | 0 | 112.7 | I1729 | L1722-I1729 HydrophobicContact CD1-CD1 4.45Š| ||
| 1723 | T | 28 | Very low | 42.1 | Very low | 120 Ų | 120 | 96.2 Ų | 96.2 | 74% | 0.736 | 54% | 0.542 | S | S | * | . | trans | -79.1 | 136.1 | 163.3 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1724 | N | 28.4 | Very low | 39.9 | Very low | 150 Ų | 150 | 98.4 Ų | 98.4 | 80% | 0.802 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 62.1 | 70.2 | 164.5 | -53.9 | -15.5 | 0 | 0 | 0 | 117.2 | ||
| 1725 | Q | 32.9 | Very low | 38.3 | Very low | 166 Ų | 166 | 106.3 Ų | 106.3 | 78% | 0.776 | 56% | 0.564 | S | S | * | * | S | Bend | -177.8 | -31.1 | 127.1 | -100.1 | 163.3 | 35.4 | 0 | 0 | 115.1 | |||
| 1726 | T | 28.6 | Very low | 36.9 | Very low | 43 Ų | 43 | 101.9 Ų | 101.9 | 26% | 0.264 | 55% | 0.549 | S | S | . | . | trans | -97.2 | 128.7 | -178.2 | 40.1 | 0 | 0 | 0 | 0 | 113.5 | G1728 | T1726-G1728 PolarHBondContact O-N 2.91Å; T1726-G1728 VanDerWaalsContact O-N 3.09Å | ||
| 1727 | T | 30.3 | Very low | 35.4 | Very low | 98 Ų | 98 | 104 Ų | 104 | 60% | 0.601 | 56% | 0.555 | S | S | * | * | trans | -89.5 | 65.8 | -167.9 | 50.8 | 0 | 0 | 0 | 0 | 115 | K1746 | T1727-K1746 WeakPolarHBondContact O-CB 3.36Å; T1727-K1746 VanDerWaalsContact O-O 3.06Å; T1727-K1746 PolarHBondContact OG1-O 3.18Å | ||
| 1728 | G | 32.7 | Very low | 34.3 | Very low | 30 Ų | 30 | 108.1 Ų | 108.1 | 31% | 0.309 | 58% | 0.577 | S | S | . | * | trans | 107.5 | 86.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1726 K1746 | T1726-G1728 PolarHBondContact O-N 2.91Å; T1726-G1728 VanDerWaalsContact O-N 3.09Å; G1728-K1746 PolarHBondContact O-N 2.96Å | ||
| 1729 | I | 36.5 | Very low | 34.3 | Very low | 49 Ų | 49 | 102 Ų | 102 | 25% | 0.251 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.7 | 153 | -64.1 | 173.6 | 0 | 0 | 0 | 107.3 | L1717 L1722 T1731 L1743 E1744 L1745 | L1717-I1729 HydrophobicContact CD2-CD1 4.14Å; L1722-I1729 HydrophobicContact CD1-CD1 4.45Å; I1729-T1731 HydrophobicContact CG2-CG2 4.31Å; I1729-L1743 HydrophobicContact CG2-CD1 3.79Å; I1729-E1744 WeakPolarHBondContact CA-O 3.34Å; I1729-L1745 HydrophobicContact CD1-CD2 4.23Å; I1729-L1745 HydrophobicContact CG1-CD2 3.76Å |
| 1730 | Q | 38.5 | Very low | 34.8 | Very low | 91 Ų | 91 | 98.6 Ų | 98.6 | 43% | 0.425 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 113.5 | 167.6 | -69.2 | -169.2 | -84.1 | 0 | 0 | 110 | E1744 | Q1730-E1744 PolarHBondContact N-O 3.15Å; Q1730-E1744 PolarHBondContact O-N 3.5Å |
| 1731 | T | 37.8 | Very low | 36.2 | Very low | 29 Ų | 29 | 95.2 Ų | 95.2 | 18% | 0.178 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.7 | 168.2 | 67 | 0 | 0 | 0 | 0 | 109.7 | N1719 I1729 A1733 L1743 | N1719-T1731 PolarHBondContact ND2-O 3.5Å; N1719-T1731 PolarHBondContact ND2-OG1 3.2Å; N1719-T1731 VanDerWaalsContact ND2-OG1 3.09Å; N1719-T1731 PolarHBondContact OD1-OG1 2.99Å; I1729-T1731 HydrophobicContact CG2-CG2 4.31Å; T1731-A1733 PolarHBondContact O-N 2.91Å; T1731-L1743 HydrophobicContact CG2-CD1 3.71Å |
| 1732 | W | 39.2 | Very low | 37.5 | Very low | 169 Ų | 169 | 94.5 Ų | 94.5 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | trans | -90.4 | 97.3 | 175.5 | -79.4 | 73.1 | 0 | 0 | 0 | 109.7 | ||||
| 1733 | A | 32.9 | Very low | 39.3 | Very low | 73 Ų | 73 | 88.4 Ų | 88.4 | 60% | 0.603 | 46% | 0.46 | S | S | * | . | trans | -86.1 | -8.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1731 | T1731-A1733 PolarHBondContact O-N 2.91Š| ||
| 1734 | N | 28.9 | Very low | 41.1 | Very low | 135 Ų | 135 | 83.5 Ų | 83.5 | 72% | 0.722 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -109.3 | 106.8 | -168.7 | -66.6 | -5.2 | 0 | 0 | 0 | 112.3 | ||
| 1735 | Y | 30 | Very low | 43.1 | Very low | 230 Ų | 230 | 76.6 Ų | 76.6 | 90% | 0.902 | 39% | 0.391 | S | S | * | . | trans | 20.2 | 98.5 | 159.2 | -82 | -86.7 | 0 | 0 | 0 | 119.5 | ||||
| 1736 | P | 32.5 | Very low | 44.3 | Very low | 61 Ų | 61 | 72.1 Ų | 72.1 | 40% | 0.396 | 37% | 0.369 | S | S | . | . | trans | -87.3 | 144.1 | 138.6 | 32.2 | -25.6 | 0 | 0 | 0 | 110.3 | N1738 F1740 | P1736-N1738 PolarHBondContact O-N 3.17Å; P1736-F1740 HydrophobicContact CG-CB 3.9Å; P1736-F1740 WeakPolarHBondContact CG-O 3.44Å | ||
| 1737 | K | 33.7 | Very low | 46 | Very low | 138 Ų | 138 | 73 Ų | 73 | 60% | 0.6 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -9.7 | -174.1 | -67.9 | -169.8 | 177.7 | -171.7 | 0 | 116.1 | K1391 | K1391-K1737 PolarHBondContact O-NZ 3.15Š|
| 1738 | N | 42 | Very low | 47.6 | Very low | 115 Ų | 115 | 68.3 Ų | 68.3 | 62% | 0.615 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.5 | 20.8 | -165.6 | -64.4 | -1.5 | 0 | 0 | 0 | 114.8 | P1736 | P1736-N1738 PolarHBondContact O-N 3.17Š|
| 1739 | G | 49.4 | Very low | 49.3 | Very low | 19 Ų | 19 | 68.5 Ų | 68.5 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | trans | 75.6 | 31.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I1699 | I1699-G1739 PolarHBondContact N-O 3.07Š| ||
| 1740 | F | 53.1 | Low | 50.9 | Low | 41 Ų | 41 | 70.9 Ų | 70.9 | 18% | 0.18 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.2 | -179 | -125.5 | -89.8 | 0 | 0 | 0 | 111.8 | F1696 I1698 P1736 L1879 | F1696-F1740 HydrophobicContact CB-CE1 4.47Å; F1696-F1740 HydrophobicContact CD1-CE1 4.03Å; I1698-F1740 HydrophobicContact CD1-CD2 4.29Å; I1698-F1740 HydrophobicContact CD1-CE1 4.35Å; I1698-F1740 HydrophobicContact CD1-CE2 3.47Å; I1698-F1740 VanDerWaalsContact CD1-CE2 3.47Å; I1698-F1740 HydrophobicContact CD1-CZ 3.5Å; I1698-F1740 HydrophobicContact CG1-CD1 4.44Å; I1698-F1740 HydrophobicContact CG1-CD2 3.98Å; I1698-F1740 HydrophobicContact CG1-CE1 4.11Å; I1698-F1740 HydrophobicContact CG1-CE2 3.62Å; I1698-F1740 HydrophobicContact CG1-CG 4.39Å; I1698-F1740 HydrophobicContact CG1-CZ 3.69Å; I1698-F1740 HydrophobicContact CG2-CD2 4.37Å; I1698-F1740 HydrophobicContact CG2-CE2 4.43Å; P1736-F1740 HydrophobicContact CG-CB 3.9Å; P1736-F1740 WeakPolarHBondContact CG-O 3.44Å; F1740-L1879 HydrophobicContact CE1-CD1 4.3Å; F1740-L1879 HydrophobicContact CZ-CD1 3.82Å; F1740-L1879 HydrophobicContact CZ-CD2 4.31Å |
| 1741 | Y | 61.4 | Low | 52.1 | Low | 45 Ų | 45 | 72.1 Ų | 72.1 | 18% | 0.176 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 143.5 | 178.7 | -64.2 | -93.8 | 0 | 0 | 0 | 110.8 | C1697 I1699 F1706 V1708 | C1697-Y1741 PolarHBondContact N-O 2.87Å; C1697-Y1741 PolarHBondContact O-N 3.46Å; I1699-Y1741 HydrophobicContact CD1-CD2 3.87Å; I1699-Y1741 HydrophobicContact CD1-CE2 3.6Å; I1699-Y1741 HydrophobicContact CG1-CD2 4.11Å; I1699-Y1741 HydrophobicContact CG1-CE2 4.08Å; F1706-Y1741 WeakPolarHBondContact CE2-OH 3.37Å; V1708-Y1741 HydrophobicContact CB-CD1 4Å; V1708-Y1741 HydrophobicContact CB-CE1 3.97Å; V1708-Y1741 HydrophobicContact CB-CG 4.42Å; V1708-Y1741 HydrophobicContact CG1-CD1 4.16Å; V1708-Y1741 HydrophobicContact CG1-CG 4.19Å; V1708-Y1741 HydrophobicContact CG2-CD1 4.01Å; V1708-Y1741 HydrophobicContact CG2-CD2 4.17Å; V1708-Y1741 HydrophobicContact CG2-CE1 3.65Å; V1708-Y1741 HydrophobicContact CG2-CE2 3.85Å; V1708-Y1741 HydrophobicContact CG2-CG 4.26Å |
| 1742 | I | 59 | Low | 53.8 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 28% | 0.277 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136.3 | -172.8 | -52.3 | -178.2 | 0 | 0 | 0 | 110.9 | L1695 F1696 | L1695-I1742 WeakPolarHBondContact O-CA 3.49Å; F1696-I1742 HydrophobicContact CD1-CD1 4.26Å; F1696-I1742 HydrophobicContact CD1-CG1 4.04Å; F1696-I1742 HydrophobicContact CE1-CD1 4.2Å; F1696-I1742 HydrophobicContact CE1-CG1 4.42Å; F1696-I1742 HydrophobicContact CE1-CG2 4.48Å |
| 1743 | L | 69.9 | Low | 55.8 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.3 | 162 | -179.4 | 70.7 | 0 | 0 | 0 | 108.8 | R1694 L1695 W1710 L1717 I1729 T1731 L1745 Y1756 | R1694-L1743 WeakPolarHBondContact CA-O 3.35Å; L1695-L1743 HydrophobicContact CB-CB 4.27Å; L1695-L1743 HydrophobicContact CD1-CD2 3.87Å; L1695-L1743 HydrophobicContact CG-CB 4.49Å; L1695-L1743 HydrophobicContact CG-CD2 4.27Å; L1695-L1743 PolarHBondContact N-O 3.24Å; L1695-L1743 PolarHBondContact O-N 3.12Å; W1710-L1743 HydrophobicContact CD2-CB 3.75Å; W1710-L1743 HydrophobicContact CD2-CD2 4.29Å; W1710-L1743 HydrophobicContact CD2-CG 4.46Å; W1710-L1743 HydrophobicContact CE3-CB 3.93Å; W1710-L1743 HydrophobicContact CE3-CD2 3.98Å; W1710-L1743 HydrophobicContact CG-CB 4.29Å; W1710-L1743 HydrophobicContact CG-CD1 4.41Å; W1710-L1743 HydrophobicContact CH2-CB 4.13Å; W1710-L1743 HydrophobicContact CZ2-CB 3.95Å; W1710-L1743 HydrophobicContact CZ3-CB 4.12Å; L1717-L1743 HydrophobicContact CD1-CD1 3.83Å; L1717-L1743 HydrophobicContact CD1-CD2 3.94Å; I1729-L1743 HydrophobicContact CG2-CD1 3.79Å; T1731-L1743 HydrophobicContact CG2-CD1 3.71Å; L1743-L1745 HydrophobicContact CD2-CD1 4.23Å; L1743-Y1756 HydrophobicContact CD2-CD1 3.59Å; L1743-Y1756 HydrophobicContact CD2-CE1 3.93Å |
| 1744 | E | 65.5 | Low | 58 | Low | 18 Ų | 18 | 64 Ų | 64 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.6 | 173.6 | -174.9 | 173.9 | -131 | 0 | 0 | 111 | T1692 R1694 I1729 Q1730 K1746 | T1692-E1744 HydrophobicContact CG2-CG 3.88Å; R1694-E1744 HydrophobicContact CG-CB 4.41Å; R1694-E1744 HydrophobicContact CG-CG 4.06Å; R1694-E1744 IonicContact CZ-OE1 2.65Å; R1694-E1744 IonicContact NE-OE1 2.65Å; R1694-E1744 PolarHBondContact NE-OE1 3.43Å; R1694-E1744 IonicContact NH2-OE1 2.64Å; R1694-E1744 PolarHBondContact NH2-OE1 3.05Å; I1729-E1744 WeakPolarHBondContact CA-O 3.34Å; Q1730-E1744 PolarHBondContact N-O 3.15Å; Q1730-E1744 PolarHBondContact O-N 3.5Å; E1744-K1746 HydrophobicContact CG-CG 4.3Å; E1744-K1746 VanDerWaalsContact OE2-CE 3.22Å; E1744-K1746 WeakPolarHBondContact OE2-CE 3.31Å; E1744-K1746 IonicContact OE2-NZ 2.87Å; E1744-K1746 PolarHBondContact OE2-NZ 3.22Å |
| 1745 | L | 69.5 | Low | 60.2 | Low | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 109.8 | 177.5 | -74.2 | 145.6 | 0 | 0 | 0 | 108.8 | T1692 L1693 I1729 L1743 V1748 Y1756 | T1692-L1745 CarbonylContact C-O 3.49Å; T1692-L1745 WeakPolarHBondContact CA-O 3.24Å; T1692-L1745 WeakPolarHBondContact CG2-O 3.24Å; L1693-L1745 HydrophobicContact CB-CB 4.28Å; L1693-L1745 HydrophobicContact CD2-CD1 4.03Å; L1693-L1745 HydrophobicContact CG-CD1 4.38Å; L1693-L1745 PolarHBondContact N-O 3.12Å; L1693-L1745 PolarHBondContact O-N 3.35Å; I1729-L1745 HydrophobicContact CD1-CD2 4.23Å; I1729-L1745 HydrophobicContact CG1-CD2 3.76Å; L1743-L1745 HydrophobicContact CD2-CD1 4.23Å; L1745-V1748 HydrophobicContact CB-CG2 4Å; L1745-Y1756 HydrophobicContact CD1-CD1 4.5Å; L1745-Y1756 HydrophobicContact CD1-CE1 3.71Å; L1745-Y1756 HydrophobicContact CD2-CE1 4.38Å |
| 1746 | K | 59.8 | Low | 62.5 | Low | 72 Ų | 72 | 52.3 Ų | 52.3 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -94.3 | 128.7 | -176.4 | -81.6 | 157.2 | 166.6 | 141.2 | 0 | 112.4 | T1692 T1727 G1728 E1744 | T1692-K1746 HydrophobicContact CG2-CG 3.96Å; T1727-K1746 WeakPolarHBondContact O-CB 3.36Å; T1727-K1746 VanDerWaalsContact O-O 3.06Å; T1727-K1746 PolarHBondContact OG1-O 3.18Å; G1728-K1746 PolarHBondContact O-N 2.96Å; E1744-K1746 HydrophobicContact CG-CG 4.3Å; E1744-K1746 VanDerWaalsContact OE2-CE 3.22Å; E1744-K1746 WeakPolarHBondContact OE2-CE 3.31Å; E1744-K1746 IonicContact OE2-NZ 2.87Å; E1744-K1746 PolarHBondContact OE2-NZ 3.22Å |
| 1747 | S | 62.6 | Low | 64.3 | Low | 61 Ų | 61 | 49.5 Ų | 49.5 | 43% | 0.427 | 25% | 0.251 | S | S | . | . | S | Bend | trans | 56 | 56.1 | -176.4 | -67.5 | 0 | 0 | 0 | 0 | 113.4 | D1691 C1749 | D1691-S1747 CarbonylContact O-C 3.59Å; D1691-S1747 WeakPolarHBondContact O-CA 3.46Å; D1691-S1747 PolarHBondContact O-N 2.62Å; D1691-S1747 VanDerWaalsContact O-N 3.08Å; S1747-C1749 PolarHBondContact O-N 3.4Å |
| 1748 | V | 64.9 | Low | 66.2 | Low | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -45.5 | 124.1 | 179.6 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | V1687 I1689 G1690 D1691 L1693 L1745 D1752 V1784 | V1687-V1748 HydrophobicContact CG1-CB 3.88Å; V1687-V1748 HydrophobicContact CG1-CG1 3.82Å; V1687-V1748 HydrophobicContact CG1-CG2 4.11Å; I1689-V1748 WeakPolarHBondContact CA-O 3.4Å; G1690-V1748 PolarHBondContact N-O 3.29Å; D1691-V1748 PolarHBondContact O-N 3.29Å; L1693-V1748 HydrophobicContact CB-CG2 3.62Å; L1745-V1748 HydrophobicContact CB-CG2 4Å; V1748-D1752 WeakPolarHBondContact CA-OD2 3.46Å; V1748-D1752 HydrophobicContact CG1-CB 4.02Å; V1748-V1784 HydrophobicContact CG1-CG2 3.93Å | ||
| 1749 | C | 67.5 | Low | 67.6 | Low | 34 Ų | 34 | 38.8 Ų | 38.8 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | trans | -113.5 | 178.3 | 179.4 | 83.4 | 0 | 0 | 0 | 0 | 111.4 | S1747 Q1751 D1752 | S1747-C1749 PolarHBondContact O-N 3.4Å; C1749-Q1751 PolarHBondContact O-N 2.93Å; C1749-Q1751 VanDerWaalsContact O-N 3.15Å; C1749-Q1751 VanDerWaalsContact SG-CB 3.56Å; C1749-Q1751 PolarHBondContact SG-N 3.31Å; C1749-Q1751 VanDerWaalsContact SG-N 3.37Å; C1749-D1752 PolarHBondContact N-OD2 3.27Å; C1749-D1752 PolarHBondContact O-N 3.44Å; C1749-D1752 VanDerWaalsContact O-N 3.1Å; C1749-D1752 PolarHBondContact SG-OD2 3.3Å; C1749-D1752 VanDerWaalsContact SG-OD2 3.41Å | ||
| 1750 | V | 70.1 | Confident | 68.6 | Low | 99 Ų | 99 | 38 Ų | 38 | 60% | 0.6 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -64.5 | -19.1 | -178.6 | -171.8 | 0 | 0 | 0 | 0 | 112.4 | I1689 | I1689-V1750 HydrophobicContact CD1-CG2 3.73Å; I1689-V1750 HydrophobicContact CG1-CG2 4.21Å |
| 1751 | Q | 64.9 | Low | 69.2 | Low | 118 Ų | 118 | 36.4 Ų | 36.4 | 55% | 0.551 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -80.5 | -19.5 | 177.3 | -54.5 | 170.2 | -29.1 | 0 | 0 | 112.9 | C1749 K1753 | C1749-Q1751 PolarHBondContact O-N 2.93Å; C1749-Q1751 VanDerWaalsContact O-N 3.15Å; C1749-Q1751 VanDerWaalsContact SG-CB 3.56Å; C1749-Q1751 PolarHBondContact SG-N 3.31Å; C1749-Q1751 VanDerWaalsContact SG-N 3.37Å; Q1751-K1753 VanDerWaalsContact C-N 3.25Å; Q1751-K1753 PolarHBondContact O-N 2.97Å |
| 1752 | D | 73.7 | Confident | 69.2 | Low | 14 Ų | 14 | 37.7 Ų | 37.7 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -86.3 | 5.2 | 179.8 | -57.7 | -51.1 | 0 | 0 | 0 | 112.6 | V1748 C1749 Y1756 | V1748-D1752 WeakPolarHBondContact CA-OD2 3.46Å; V1748-D1752 HydrophobicContact CG1-CB 4.02Å; C1749-D1752 PolarHBondContact N-OD2 3.27Å; C1749-D1752 PolarHBondContact O-N 3.44Å; C1749-D1752 VanDerWaalsContact O-N 3.1Å; C1749-D1752 PolarHBondContact SG-OD2 3.3Å; C1749-D1752 VanDerWaalsContact SG-OD2 3.41Å; D1752-Y1756 VanDerWaalsContact O-CE2 3.28Å; D1752-Y1756 WeakPolarHBondContact O-CE2 3.42Å; D1752-Y1756 PolarHBondContact O-OH 3.25Å |
| 1753 | K | 80.4 | Confident | 69 | Low | 84 Ų | 84 | 36.9 Ų | 36.9 | 37% | 0.365 | 19% | 0.189 | S | C | . | . | trans | -76 | 129.3 | 175.3 | 172.4 | 166.2 | 176.9 | 158.6 | 0 | 110.7 | Q1751 D1783 V1784 | Q1751-K1753 VanDerWaalsContact C-N 3.25Å; Q1751-K1753 PolarHBondContact O-N 2.97Å; K1753-D1783 VanDerWaalsContact CE-OD1 3.25Å; K1753-D1783 WeakPolarHBondContact CE-OD1 3.32Å; K1753-D1783 IonicContact NZ-OD1 3.89Å; K1753-D1783 PolarHBondContact NZ-OD1 3.36Å; K1753-V1784 HydrophobicContact CB-CB 4.47Å; K1753-V1784 HydrophobicContact CB-CG2 3.93Å | ||
| 1754 | G | 78.3 | Confident | 68 | Low | 2 Ų | 2 | 39.3 Ų | 39.3 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163 | -169.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | N1713 V1782 | N1713-G1754 WeakPolarHBondContact OD1-CA 3.37Å; G1754-V1782 PolarHBondContact N-O 2.88Å; G1754-V1782 PolarHBondContact O-N 2.65Å |
| 1755 | F | 75.3 | Confident | 66.9 | Low | 115 Ų | 115 | 44 Ų | 44 | 50% | 0.504 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 127.6 | 169 | -72 | -76.5 | 0 | 0 | 0 | 110 | H1712 N1713 V1779 C1780 W1781 | H1712-F1755 CarbonylContact C-O 3.5Å; H1712-F1755 WeakPolarHBondContact CA-O 3.47Å; N1713-F1755 PolarHBondContact N-O 3.47Å; N1713-F1755 PolarHBondContact OD1-N 3.38Å; F1755-V1779 HydrophobicContact CB-CG1 4.16Å; F1755-V1779 HydrophobicContact CD1-CG1 4Å; F1755-C1780 WeakPolarHBondContact CA-O 3.38Å; F1755-W1781 AromaticContact CD1-CE3 3.87Å; F1755-W1781 HydrophobicContact CD1-CE3 3.87Å; F1755-W1781 AromaticContact CD2-CE3 3.75Å; F1755-W1781 HydrophobicContact CD2-CE3 3.75Å; F1755-W1781 AromaticContact CD2-CZ3 3.69Å; F1755-W1781 HydrophobicContact CD2-CZ3 3.69Å; F1755-W1781 HydrophobicContact CE1-CB 4.38Å; F1755-W1781 AromaticContact CE1-CE3 3.79Å; F1755-W1781 HydrophobicContact CE1-CE3 3.79Å; F1755-W1781 AromaticContact CE2-CE3 3.66Å; F1755-W1781 HydrophobicContact CE2-CE3 3.66Å; F1755-W1781 AromaticContact CE2-CZ3 3.56Å; F1755-W1781 HydrophobicContact CE2-CZ3 3.56Å; F1755-W1781 AromaticContact CG-CE3 3.86Å; F1755-W1781 HydrophobicContact CG-CE3 3.86Å; F1755-W1781 HydrophobicContact CG-CZ3 4.24Å; F1755-W1781 AromaticContact CZ-CE3 3.68Å; F1755-W1781 HydrophobicContact CZ-CE3 3.68Å; F1755-W1781 HydrophobicContact CZ-CZ3 4.02Å |
| 1756 | Y | 79.3 | Confident | 65.4 | Low | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.7 | 168.9 | -71.6 | -98.9 | 0 | 0 | 0 | 109.4 | L1695 T1711 H1712 L1717 L1743 L1745 D1752 V1779 C1780 V1782 | L1695-Y1756 VanDerWaalsContact CD1-CB 3.46Å; L1695-Y1756 HydrophobicContact CD1-CD1 3.99Å; L1695-Y1756 HydrophobicContact CD1-CD2 4.38Å; L1695-Y1756 HydrophobicContact CD1-CG 3.69Å; T1711-Y1756 CarbonylContact O-C 3.55Å; T1711-Y1756 VanDerWaalsContact O-CA 3.31Å; T1711-Y1756 WeakPolarHBondContact O-CA 3.04Å; H1712-Y1756 HydrophobicContact CB-CD1 4.07Å; H1712-Y1756 HydrophobicContact CB-CE1 3.87Å; H1712-Y1756 AromaticContact CD2-CD2 3.83Å; H1712-Y1756 AromaticContact CD2-CE1 3.62Å; H1712-Y1756 AromaticContact CD2-CE2 3.4Å; H1712-Y1756 VanDerWaalsContact CD2-CE2 3.4Å; H1712-Y1756 WeakPolarHBondContact CD2-CE2 3.25Å; H1712-Y1756 AromaticContact CD2-CZ 3.3Å; H1712-Y1756 AromaticContact CG-CE1 3.78Å; H1712-Y1756 AromaticContact CG-CZ 3.82Å; H1712-Y1756 AromaticContact NE2-CE2 3.67Å; H1712-Y1756 AromaticContact NE2-CZ 3.64Å; L1717-Y1756 HydrophobicContact CD1-CE1 4.45Å; L1743-Y1756 HydrophobicContact CD2-CD1 3.59Å; L1743-Y1756 HydrophobicContact CD2-CE1 3.93Å; L1745-Y1756 HydrophobicContact CD1-CD1 4.5Å; L1745-Y1756 HydrophobicContact CD1-CE1 3.71Å; L1745-Y1756 HydrophobicContact CD2-CE1 4.38Å; D1752-Y1756 VanDerWaalsContact O-CE2 3.28Å; D1752-Y1756 WeakPolarHBondContact O-CE2 3.42Å; D1752-Y1756 PolarHBondContact O-OH 3.25Å; Y1756-V1779 CarbonylContact O-C 3.55Å; Y1756-V1779 WeakPolarHBondContact O-CA 3.5Å; Y1756-V1779 WeakPolarHBondContact O-CG1 3.27Å; Y1756-C1780 PolarHBondContact N-O 3.36Å; Y1756-C1780 PolarHBondContact O-N 3.31Å; Y1756-V1782 HydrophobicContact CD2-CB 3.88Å; Y1756-V1782 HydrophobicContact CD2-CG2 3.45Å; Y1756-V1782 VanDerWaalsContact CD2-CG2 3.45Å; Y1756-V1782 HydrophobicContact CE2-CB 3.81Å; Y1756-V1782 HydrophobicContact CE2-CG1 4.27Å; Y1756-V1782 HydrophobicContact CE2-CG2 3.77Å; Y1756-V1782 HydrophobicContact CG-CG2 4.41Å |
| 1757 | G | 69.6 | Low | 64.4 | Low | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 156.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | W1710 T1711 A1778 | W1710-G1757 CarbonylContact C-O 3.49Å; W1710-G1757 WeakPolarHBondContact CA-O 3.41Å; T1711-G1757 PolarHBondContact N-O 2.9Å; T1711-G1757 PolarHBondContact O-N 3.11Å; T1711-G1757 VanDerWaalsContact OG1-CA 3.3Å; T1711-G1757 WeakPolarHBondContact OG1-CA 3.37Å; T1711-G1757 PolarHBondContact OG1-N 3.12Å; G1757-A1778 CarbonylContact C-O 3.56Å; G1757-A1778 WeakPolarHBondContact CA-O 3.45Å |
| 1758 | V | 73.9 | Confident | 63.1 | Low | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 126.7 | 167 | 62.6 | 0 | 0 | 0 | 0 | 109.1 | C1697 V1708 H1709 W1710 E1777 A1778 | C1697-V1758 HydrophobicContact CB-CG1 4.29Å; C1697-V1758 HydrophobicContact CB-CG2 4.17Å; V1708-V1758 HydrophobicContact CG1-CG2 3.56Å; H1709-V1758 CarbonylContact O-C 3.54Å; H1709-V1758 WeakPolarHBondContact O-CA 3.35Å; W1710-V1758 HydrophobicContact CD2-CB 4.3Å; W1710-V1758 HydrophobicContact CD2-CG2 4.29Å; W1710-V1758 HydrophobicContact CE3-CB 3.95Å; W1710-V1758 HydrophobicContact CE3-CG2 4.42Å; W1710-V1758 HydrophobicContact CH2-CB 4.43Å; W1710-V1758 HydrophobicContact CZ3-CB 4.03Å; V1758-E1777 WeakPolarHBondContact O-CA 3.37Å; V1758-A1778 HydrophobicContact CG1-CB 3.98Å; V1758-A1778 PolarHBondContact N-O 2.66Å; V1758-A1778 PolarHBondContact O-N 3.46Å |
| 1759 | T | 70.5 | Confident | 61.5 | Low | 26 Ų | 26 | 58 Ų | 58 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.2 | 179.1 | 28.5 | 0 | 0 | 0 | 0 | 110.3 | V1708 H1709 T1774 E1777 | V1708-T1759 WeakPolarHBondContact CA-O 3.48Å; H1709-T1759 PolarHBondContact N-O 2.84Å; H1709-T1759 PolarHBondContact O-N 2.61Å; H1709-T1759 PolarHBondContact O-OG1 2.99Å; T1759-T1774 HydrophobicContact CG2-CG2 4.07Å; T1759-E1777 HydrophobicContact CG2-CB 3.92Å; T1759-E1777 HydrophobicContact CG2-CG 3.75Å |
| 1760 | V | 70.6 | Confident | 60.2 | Low | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.8 | 174.5 | -173.2 | 0 | 0 | 0 | 0 | 107.7 | I1678 I1699 F1706 V1708 T1774 I1775 E1776 | I1678-V1760 HydrophobicContact CD1-CG2 3.94Å; I1678-V1760 HydrophobicContact CG1-CG2 4.07Å; I1699-V1760 HydrophobicContact CD1-CB 4.43Å; I1699-V1760 HydrophobicContact CD1-CG1 4Å; I1699-V1760 HydrophobicContact CD1-CG2 3.51Å; I1699-V1760 HydrophobicContact CG1-CG2 4.27Å; F1706-V1760 HydrophobicContact CB-CG1 4.22Å; V1708-V1760 HydrophobicContact CG2-CG2 4.48Å; V1760-T1774 CarbonylContact O-C 3.49Å; V1760-T1774 WeakPolarHBondContact O-CA 3.31Å; V1760-I1775 HydrophobicContact CG1-CB 4.48Å; V1760-I1775 HydrophobicContact CG1-CD1 4.13Å; V1760-I1775 PolarHBondContact O-N 2.72Å; V1760-E1776 PolarHBondContact N-O 3.09Å |
| 1761 | S | 66.1 | Low | 59.1 | Low | 6 Ų | 6 | 61.4 Ų | 61.4 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 132.8 | -172.6 | 49.1 | 0 | 0 | 0 | 0 | 112 | F1706 F1707 H1709 E1773 | F1706-S1761 CarbonylContact C-O 3.58Å; F1706-S1761 WeakPolarHBondContact CA-O 3.48Å; F1707-S1761 PolarHBondContact N-O 3.21Å; F1707-S1761 PolarHBondContact O-N 3.2Å; F1707-S1761 PolarHBondContact O-OG 3.49Å; H1709-S1761 PolarHBondContact CE1-OG 3.49Å; H1709-S1761 PolarHBondContact ND1-OG 2.86Å; S1761-E1773 CarbonylContact C-O 3.52Å; S1761-E1773 WeakPolarHBondContact CA-O 3.42Å |
| 1762 | R | 62.5 | Low | 58.4 | Low | 72 Ų | 72 | 60.2 Ų | 60.2 | 27% | 0.272 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 162.8 | 168.7 | 65.2 | 174.6 | -178.4 | 174.3 | -2.1 | 110.5 | E1704 N1772 E1773 I1775 | E1704-R1762 IonicContact OE2-NH1 3.66Å; E1704-R1762 PolarHBondContact OE2-NH1 3.22Å; R1762-N1772 CarbonylContact O-C 3.57Å; R1762-N1772 WeakPolarHBondContact O-CA 3.3Å; R1762-E1773 HydrophobicContact CG-CB 4.14Å; R1762-E1773 IonicContact CZ-OE2 2.63Å; R1762-E1773 PolarHBondContact N-O 2.9Å; R1762-E1773 IonicContact NE-OE2 2.73Å; R1762-E1773 PolarHBondContact NE-OE2 3.33Å; R1762-E1773 IonicContact NH2-OE1 3.81Å; R1762-E1773 IonicContact NH2-OE2 2.99Å; R1762-E1773 PolarHBondContact NH2-OE2 3.4Å; R1762-E1773 PolarHBondContact O-N 3.15Å; R1762-I1775 HydrophobicContact CB-CD1 3.91Å; R1762-I1775 HydrophobicContact CB-CG1 4.33Å; R1762-I1775 HydrophobicContact CG-CD1 4.26Å; R1762-I1775 HydrophobicContact CG-CG1 4.24Å |
| 1763 | V | 54.3 | Low | 57.6 | Low | 37 Ų | 37 | 63.6 Ų | 63.6 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.2 | 174.7 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | F1707 M1770 | F1707-V1763 HydrophobicContact CD2-CG2 3.77Å; F1707-V1763 HydrophobicContact CE2-CG2 3.48Å; F1707-V1763 VanDerWaalsContact CE2-CG2 3.48Å; F1707-V1763 HydrophobicContact CZ-CG2 4.43Å; V1763-M1770 HydrophobicContact CG1-CB 3.92Å; V1763-M1770 HydrophobicContact CG1-CE 3.71Å; V1763-M1770 HydrophobicContact CG1-CG 4.36Å; V1763-M1770 HydrophobicContact CG1-SD 3.6Å |
| 1764 | L | 48.7 | Very low | 56.7 | Low | 52 Ų | 52 | 63.7 Ų | 63.7 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134 | 169.7 | -63.9 | -179.9 | 0 | 0 | 0 | 109.6 | I1766 M1770 V1771 E1773 | L1764-I1766 HydrophobicContact CB-CD1 4.2Å; L1764-I1766 HydrophobicContact CB-CG1 3.85Å; L1764-I1766 HydrophobicContact CD1-CD1 4.18Å; L1764-I1766 PolarHBondContact O-N 3.41Å; L1764-M1770 WeakPolarHBondContact O-CA 3.44Å; L1764-V1771 PolarHBondContact N-O 3.19Å; L1764-V1771 PolarHBondContact O-N 3.23Å; L1764-E1773 WeakPolarHBondContact CD1-OE2 3.37Å |
| 1765 | D | 42.4 | Very low | 55.8 | Low | 115 Ų | 115 | 66.5 Ų | 66.5 | 62% | 0.615 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 105.7 | 159.2 | -179.8 | 8 | 0 | 0 | 0 | 108.5 | G1768 | D1765-G1768 VanDerWaalsContact OD1-CA 3.26Å; D1765-G1768 WeakPolarHBondContact OD1-CA 3.23Å; D1765-G1768 PolarHBondContact OD1-N 3.36Å |
| 1766 | I | 38.4 | Very low | 55.3 | Low | 84 Ų | 84 | 63.3 Ų | 63.3 | 43% | 0.431 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 99.7 | 172.7 | -53.4 | -176.6 | 0 | 0 | 0 | 107.1 | L1764 G1768 K1769 V1771 | L1764-I1766 HydrophobicContact CB-CD1 4.2Å; L1764-I1766 HydrophobicContact CB-CG1 3.85Å; L1764-I1766 HydrophobicContact CD1-CD1 4.18Å; L1764-I1766 PolarHBondContact O-N 3.41Å; I1766-G1768 VanDerWaalsContact C-N 3.34Å; I1766-G1768 PolarHBondContact O-N 3.41Å; I1766-K1769 PolarHBondContact N-O 3.37Å; I1766-K1769 PolarHBondContact O-N 2.8Å; I1766-V1771 HydrophobicContact CB-CG2 4.2Å; I1766-V1771 HydrophobicContact CD1-CB 4.08Å; I1766-V1771 HydrophobicContact CD1-CG1 4.37Å; I1766-V1771 HydrophobicContact CD1-CG2 4.13Å; I1766-V1771 HydrophobicContact CG1-CB 4.39Å; I1766-V1771 HydrophobicContact CG1-CG2 4.28Å |
| 1767 | S | 37.3 | Very low | 54.6 | Low | 126 Ų | 126 | 69.1 Ų | 69.1 | 88% | 0.881 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 43.2 | 176.2 | 52.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1768 | G | 36.7 | Very low | 54.3 | Low | 66 Ų | 66 | 70.1 Ų | 70.1 | 68% | 0.68 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 8.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1765 I1766 | D1765-G1768 VanDerWaalsContact OD1-CA 3.26Å; D1765-G1768 WeakPolarHBondContact OD1-CA 3.23Å; D1765-G1768 PolarHBondContact OD1-N 3.36Å; I1766-G1768 VanDerWaalsContact C-N 3.34Å; I1766-G1768 PolarHBondContact O-N 3.41Å |
| 1769 | K | 31.3 | Very low | 53.8 | Low | 156 Ų | 156 | 73.7 Ų | 73.7 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.6 | 166.7 | -75.7 | -175.5 | 175.1 | -179.7 | 0 | 109.8 | I1766 V1771 | I1766-K1769 PolarHBondContact N-O 3.37Å; I1766-K1769 PolarHBondContact O-N 2.8Å; K1769-V1771 HydrophobicContact CB-CG2 4.31Å; K1769-V1771 PolarHBondContact O-N 3.1Å |
| 1770 | M | 40.1 | Very low | 53.6 | Low | 146 Ų | 146 | 72.7 Ų | 72.7 | 72% | 0.719 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 111.9 | 162.7 | -61.2 | -76.2 | -98.6 | 0 | 0 | 108.2 | V1763 L1764 | V1763-M1770 HydrophobicContact CG1-CB 3.92Å; V1763-M1770 HydrophobicContact CG1-CE 3.71Å; V1763-M1770 HydrophobicContact CG1-CG 4.36Å; V1763-M1770 HydrophobicContact CG1-SD 3.6Å; L1764-M1770 WeakPolarHBondContact O-CA 3.44Å |
| 1771 | V | 47.6 | Very low | 54 | Low | 59 Ų | 59 | 76.4 Ų | 76.4 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.6 | 177 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | L1764 I1766 K1769 | L1764-V1771 PolarHBondContact N-O 3.19Å; L1764-V1771 PolarHBondContact O-N 3.23Å; I1766-V1771 HydrophobicContact CB-CG2 4.2Å; I1766-V1771 HydrophobicContact CD1-CB 4.08Å; I1766-V1771 HydrophobicContact CD1-CG1 4.37Å; I1766-V1771 HydrophobicContact CD1-CG2 4.13Å; I1766-V1771 HydrophobicContact CG1-CB 4.39Å; I1766-V1771 HydrophobicContact CG1-CG2 4.28Å; K1769-V1771 HydrophobicContact CB-CG2 4.31Å; K1769-V1771 PolarHBondContact O-N 3.1Å |
| 1772 | N | 48.4 | Very low | 54.3 | Low | 93 Ų | 93 | 76.1 Ų | 76.1 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 118.9 | 173.4 | -67 | 17.9 | 0 | 0 | 0 | 109.1 | R1762 | R1762-N1772 CarbonylContact O-C 3.57Å; R1762-N1772 WeakPolarHBondContact O-CA 3.3Å |
| 1773 | E | 58.2 | Low | 54.9 | Low | 84 Ų | 84 | 74.4 Ų | 74.4 | 39% | 0.393 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119 | 174.1 | -175 | -177 | -160 | 0 | 0 | 109.1 | S1761 R1762 L1764 I1775 | S1761-E1773 CarbonylContact C-O 3.52Å; S1761-E1773 WeakPolarHBondContact CA-O 3.42Å; R1762-E1773 HydrophobicContact CG-CB 4.14Å; R1762-E1773 IonicContact CZ-OE2 2.63Å; R1762-E1773 PolarHBondContact N-O 2.9Å; R1762-E1773 IonicContact NE-OE2 2.73Å; R1762-E1773 PolarHBondContact NE-OE2 3.33Å; R1762-E1773 IonicContact NH2-OE1 3.81Å; R1762-E1773 IonicContact NH2-OE2 2.99Å; R1762-E1773 PolarHBondContact NH2-OE2 3.4Å; R1762-E1773 PolarHBondContact O-N 3.15Å; L1764-E1773 WeakPolarHBondContact CD1-OE2 3.37Å; E1773-I1775 PolarHBondContact O-N 3.3Å |
| 1774 | T | 60.6 | Low | 55.8 | Low | 86 Ų | 86 | 73.6 Ų | 73.6 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 120.8 | 177.7 | -47.6 | 0 | 0 | 0 | 0 | 110.2 | T1759 V1760 | T1759-T1774 HydrophobicContact CG2-CG2 4.07Å; V1760-T1774 CarbonylContact O-C 3.49Å; V1760-T1774 WeakPolarHBondContact O-CA 3.31Å |
| 1775 | I | 60.3 | Low | 56.5 | Low | 61 Ų | 61 | 74.8 Ų | 74.8 | 31% | 0.313 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -50.2 | -178.7 | -41.8 | 178.5 | 0 | 0 | 0 | 110.4 | M1702 F1706 V1760 R1762 E1773 | M1702-I1775 HydrophobicContact CE-CG2 4.13Å; M1702-I1775 HydrophobicContact SD-CD1 4.11Å; M1702-I1775 HydrophobicContact SD-CG2 4.5Å; F1706-I1775 HydrophobicContact CB-CD1 4.24Å; V1760-I1775 HydrophobicContact CG1-CB 4.48Å; V1760-I1775 HydrophobicContact CG1-CD1 4.13Å; V1760-I1775 PolarHBondContact O-N 2.72Å; R1762-I1775 HydrophobicContact CB-CD1 3.91Å; R1762-I1775 HydrophobicContact CB-CG1 4.33Å; R1762-I1775 HydrophobicContact CG-CD1 4.26Å; R1762-I1775 HydrophobicContact CG-CG1 4.24Å; E1773-I1775 PolarHBondContact O-N 3.3Å |
| 1776 | E | 63.7 | Low | 56.7 | Low | 49 Ų | 49 | 72.6 Ų | 72.6 | 23% | 0.229 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 156.2 | 173.7 | -77.6 | -165.6 | -167.6 | 0 | 0 | 111.4 | S1677 I1678 V1760 | S1677-E1776 WeakPolarHBondContact CB-OE1 3.43Å; S1677-E1776 WeakPolarHBondContact CB-OE2 3.5Å; S1677-E1776 VanDerWaalsContact N-CD 3.34Å; S1677-E1776 PolarHBondContact N-OE1 3.26Å; S1677-E1776 PolarHBondContact N-OE2 3.12Å; S1677-E1776 VanDerWaalsContact OG-CD 3.29Å; S1677-E1776 PolarHBondContact OG-OE1 3.4Å; I1678-E1776 WeakPolarHBondContact CB-OE2 3.39Å; I1678-E1776 HydrophobicContact CD1-CB 3.64Å; I1678-E1776 HydrophobicContact CG1-CB 3.92Å; I1678-E1776 WeakPolarHBondContact CG1-OE2 3.45Å; I1678-E1776 PolarHBondContact N-OE2 3.13Å; V1760-E1776 PolarHBondContact N-O 3.09Å |
| 1777 | E | 65 | Low | 56.9 | Low | 125 Ų | 125 | 76.4 Ų | 76.4 | 58% | 0.584 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134 | 143.5 | 175.9 | 179.3 | 168.9 | -158.4 | 0 | 0 | 110 | V1758 T1759 V1779 | V1758-E1777 WeakPolarHBondContact O-CA 3.37Å; T1759-E1777 HydrophobicContact CG2-CB 3.92Å; T1759-E1777 HydrophobicContact CG2-CG 3.75Å; E1777-V1779 HydrophobicContact CG-CG2 4.32Å |
| 1778 | A | 63.1 | Low | 56.7 | Low | 23 Ų | 23 | 80.4 Ų | 80.4 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | I1678 G1757 V1758 | I1678-A1778 HydrophobicContact CD1-CB 4.11Å; I1678-A1778 HydrophobicContact CG2-CB 4.11Å; G1757-A1778 CarbonylContact C-O 3.56Å; G1757-A1778 WeakPolarHBondContact CA-O 3.45Å; V1758-A1778 HydrophobicContact CG1-CB 3.98Å; V1758-A1778 PolarHBondContact N-O 2.66Å; V1758-A1778 PolarHBondContact O-N 3.46Å |
| 1779 | V | 64.7 | Low | 56.7 | Low | 79 Ų | 79 | 81 Ų | 81 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145.2 | -174.2 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | F1755 Y1756 E1777 | F1755-V1779 HydrophobicContact CB-CG1 4.16Å; F1755-V1779 HydrophobicContact CD1-CG1 4Å; Y1756-V1779 CarbonylContact O-C 3.55Å; Y1756-V1779 WeakPolarHBondContact O-CA 3.5Å; Y1756-V1779 WeakPolarHBondContact O-CG1 3.27Å; E1777-V1779 HydrophobicContact CG-CG2 4.32Å |
| 1780 | C | 66.7 | Low | 56.9 | Low | 4 Ų | 4 | 79.6 Ų | 79.6 | 3% | 0.027 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152.8 | 172.1 | 66.8 | 0 | 0 | 0 | 0 | 112.3 | P1682 F1755 Y1756 | P1682-C1780 HydrophobicContact CB-CB 3.67Å; P1682-C1780 HydrophobicContact CG-CB 3.99Å; P1682-C1780 VanDerWaalsContact CG-SG 3.57Å; P1682-C1780 WeakPolarHBondContact O-CB 3.23Å; F1755-C1780 WeakPolarHBondContact CA-O 3.38Å; Y1756-C1780 PolarHBondContact N-O 3.36Å; Y1756-C1780 PolarHBondContact O-N 3.31Å |
| 1781 | W | 77.3 | Confident | 57.1 | Low | 81 Ų | 81 | 79.3 Ų | 79.3 | 31% | 0.307 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 135.6 | 168 | -178.6 | -106.8 | 0 | 0 | 0 | 111.4 | D1684 T1685 F1755 | D1684-W1781 WeakPolarHBondContact CA-O 3.47Å; D1684-W1781 WeakPolarHBondContact OD1-CB 3.37Å; T1685-W1781 PolarHBondContact N-O 3.36Å; F1755-W1781 AromaticContact CD1-CE3 3.87Å; F1755-W1781 HydrophobicContact CD1-CE3 3.87Å; F1755-W1781 AromaticContact CD2-CE3 3.75Å; F1755-W1781 HydrophobicContact CD2-CE3 3.75Å; F1755-W1781 AromaticContact CD2-CZ3 3.69Å; F1755-W1781 HydrophobicContact CD2-CZ3 3.69Å; F1755-W1781 HydrophobicContact CE1-CB 4.38Å; F1755-W1781 AromaticContact CE1-CE3 3.79Å; F1755-W1781 HydrophobicContact CE1-CE3 3.79Å; F1755-W1781 AromaticContact CE2-CE3 3.66Å; F1755-W1781 HydrophobicContact CE2-CE3 3.66Å; F1755-W1781 AromaticContact CE2-CZ3 3.56Å; F1755-W1781 HydrophobicContact CE2-CZ3 3.56Å; F1755-W1781 AromaticContact CG-CE3 3.86Å; F1755-W1781 HydrophobicContact CG-CE3 3.86Å; F1755-W1781 HydrophobicContact CG-CZ3 4.24Å; F1755-W1781 AromaticContact CZ-CE3 3.68Å; F1755-W1781 HydrophobicContact CZ-CE3 3.68Å; F1755-W1781 HydrophobicContact CZ-CZ3 4.02Å |
| 1782 | V | 72.7 | Confident | 56.9 | Low | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.1 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | L1693 L1695 G1754 Y1756 | L1693-V1782 HydrophobicContact CD2-CB 4.34Å; L1693-V1782 HydrophobicContact CD2-CG1 3.5Å; L1693-V1782 VanDerWaalsContact CD2-CG1 3.5Å; L1693-V1782 HydrophobicContact CD2-CG2 3.83Å; L1695-V1782 HydrophobicContact CD2-CG2 4.44Å; G1754-V1782 PolarHBondContact N-O 2.88Å; G1754-V1782 PolarHBondContact O-N 2.65Å; Y1756-V1782 HydrophobicContact CD2-CB 3.88Å; Y1756-V1782 HydrophobicContact CD2-CG2 3.45Å; Y1756-V1782 VanDerWaalsContact CD2-CG2 3.45Å; Y1756-V1782 HydrophobicContact CE2-CB 3.81Å; Y1756-V1782 HydrophobicContact CE2-CG1 4.27Å; Y1756-V1782 HydrophobicContact CE2-CG2 3.77Å; Y1756-V1782 HydrophobicContact CG-CG2 4.41Å |
| 1783 | D | 75.5 | Confident | 57.4 | Low | 36 Ų | 36 | 83.7 Ų | 83.7 | 19% | 0.193 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 143.2 | 179.7 | -161.2 | 12.7 | 0 | 0 | 0 | 111.6 | T1685 K1686 V1687 K1753 | T1685-D1783 PolarHBondContact O-N 3.04Å; K1686-D1783 WeakPolarHBondContact CA-O 3.36Å; K1686-D1783 HydrophobicContact CG-CB 4.36Å; V1687-D1783 PolarHBondContact N-O 2.9Å; K1753-D1783 VanDerWaalsContact CE-OD1 3.25Å; K1753-D1783 WeakPolarHBondContact CE-OD1 3.32Å; K1753-D1783 IonicContact NZ-OD1 3.89Å; K1753-D1783 PolarHBondContact NZ-OD1 3.36Å |
| 1784 | V | 73.1 | Confident | 57.5 | Low | 20 Ų | 20 | 82.8 Ų | 82.8 | 12% | 0.121 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 111.2 | -169.4 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | V1687 I1689 V1748 K1753 | V1687-V1784 CarbonylContact O-C 3.4Å; V1687-V1784 VanDerWaalsContact O-CA 3.31Å; V1687-V1784 WeakPolarHBondContact O-CA 3.28Å; I1689-V1784 HydrophobicContact CG1-CG1 3.61Å; V1748-V1784 HydrophobicContact CG1-CG2 3.93Å; K1753-V1784 HydrophobicContact CB-CB 4.47Å; K1753-V1784 HydrophobicContact CB-CG2 3.93Å |
| 1785 | E | 64 | Low | 57.9 | Low | 78 Ų | 78 | 81 Ų | 81 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 144.2 | -175.9 | -67.5 | -166.6 | 148.4 | 0 | 0 | 113.3 | K1686 V1687 I1689 Q1787 | K1686-E1785 WeakPolarHBondContact CE-OE1 3.28Å; K1686-E1785 IonicContact NZ-OE1 3.66Å; K1686-E1785 PolarHBondContact NZ-OE1 2.9Å; V1687-E1785 PolarHBondContact O-N 2.74Å; I1689-E1785 PolarHBondContact N-O 3.38Å; E1785-Q1787 PolarHBondContact O-N 2.93Å |
| 1786 | G | 46.8 | Very low | 58.5 | Low | 69 Ų | 69 | 78.5 Ų | 78.5 | 71% | 0.711 | 42% | 0.423 | S | S | * | . | trans | -91.7 | 17.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1787 | Q | 42.2 | Very low | 59 | Low | 164 Ų | 164 | 78.4 Ų | 78.4 | 77% | 0.766 | 43% | 0.43 | S | S | * | . | trans | -110.7 | 126.3 | -176.4 | -66.3 | -167.7 | 0.7 | 0 | 0 | 113.1 | E1785 S1789 | E1785-Q1787 PolarHBondContact O-N 2.93Å; Q1787-S1789 PolarHBondContact O-N 2.88Å; Q1787-S1789 VanDerWaalsContact O-N 3.17Å | ||
| 1788 | K | 33.7 | Very low | 59.5 | Low | 210 Ų | 210 | 75.4 Ų | 75.4 | 91% | 0.913 | 42% | 0.416 | S | S | * | . | trans | -79.2 | 89 | 170 | -72.7 | -176.4 | 176 | 179.6 | 0 | 110.3 | ||||
| 1789 | S | 34.8 | Very low | 59.6 | Low | 77 Ų | 77 | 78.7 Ų | 78.7 | 54% | 0.538 | 43% | 0.429 | S | S | . | . | trans | -72.7 | 145 | 163.9 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | N1688 Q1787 | N1688-S1789 PolarHBondContact ND2-OG 2.65Å; Q1787-S1789 PolarHBondContact O-N 2.88Å; Q1787-S1789 VanDerWaalsContact O-N 3.17Å | ||
| 1790 | S | 36.5 | Very low | 59 | Low | 127 Ų | 127 | 77 Ų | 77 | 89% | 0.888 | 42% | 0.417 | S | S | * | . | trans | -97.5 | 4.9 | -170.6 | 50.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1791 | E | 43.7 | Very low | 58.3 | Low | 140 Ų | 140 | 82 Ų | 82 | 65% | 0.654 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -81.8 | 140.7 | -177.9 | -63.1 | -168.7 | 164.9 | 0 | 0 | 112.5 | K1793 | E1791-K1793 PolarHBondContact O-N 3.46Å; E1791-K1793 VanDerWaalsContact O-N 3.07Å |
| 1792 | K | 44.7 | Very low | 57 | Low | 186 Ų | 186 | 83.1 Ų | 83.1 | 81% | 0.809 | 45% | 0.453 | S | S | * | . | trans | -67.1 | 108.6 | 169.1 | -77.9 | -170.8 | 174.9 | -173.9 | 0 | 109.6 | N1824 | K1792-N1824 PolarHBondContact O-ND2 2.79Å; K1792-N1824 VanDerWaalsContact O-ND2 3.1Å | ||
| 1793 | K | 57.4 | Low | 56.6 | Low | 58 Ų | 58 | 83.4 Ų | 83.4 | 25% | 0.252 | 45% | 0.454 | S | S | . | . | trans | -64.6 | 141 | 160.7 | -60 | -179.4 | -179.2 | 170.7 | 0 | 108.7 | N1688 D1691 E1791 N1824 Q1877 | N1688-K1793 PolarHBondContact ND2-NZ 3.49Å; D1691-K1793 IonicContact OD1-NZ 2.71Å; D1691-K1793 PolarHBondContact OD1-NZ 2.87Å; D1691-K1793 IonicContact OD2-NZ 2.67Å; D1691-K1793 PolarHBondContact OD2-NZ 2.7Å; E1791-K1793 PolarHBondContact O-N 3.46Å; E1791-K1793 VanDerWaalsContact O-N 3.07Å; K1793-N1824 CarbonylContact C-O 3.54Å; K1793-N1824 VanDerWaalsContact CA-O 3.31Å; K1793-N1824 WeakPolarHBondContact CA-O 3.39Å; K1793-Q1877 HydrophobicContact CB-CG 3.75Å; K1793-Q1877 VanDerWaalsContact CB-OE1 3.28Å | ||
| 1794 | T | 61.5 | Low | 55.8 | Low | 66 Ų | 66 | 84.2 Ų | 84.2 | 41% | 0.405 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 136.8 | -176 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | N1824 N1875 | T1794-N1824 PolarHBondContact N-O 2.78Å; T1794-N1824 PolarHBondContact O-N 3.19Å; T1794-N1824 WeakPolarHBondContact OG1-CB 3.37Å; T1794-N1824 PolarHBondContact OG1-N 3.45Å; T1794-N1875 PolarHBondContact O-ND2 3.42Å |
| 1795 | A | 68.1 | Low | 55.2 | Low | 48 Ų | 48 | 86.6 Ų | 86.6 | 40% | 0.397 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 160 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q1877 | A1795-Q1877 HydrophobicContact CB-CB 4.24Å |
| 1796 | P | 72.9 | Confident | 55.2 | Low | 8 Ų | 8 | 88.3 Ų | 88.3 | 5% | 0.052 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 140.8 | 175 | -20.5 | 35 | 0 | 0 | 0 | 110.5 | V1821 V1822 P1827 N1875 G1878 I1880 | P1796-V1821 HydrophobicContact CB-CG1 4.08Å; P1796-V1822 CarbonylContact C-O 3.58Å; P1796-V1822 VanDerWaalsContact CA-O 3.25Å; P1796-V1822 WeakPolarHBondContact CA-O 3.46Å; P1796-P1827 HydrophobicContact CB-CB 4.18Å; P1796-P1827 HydrophobicContact CB-CG 3.73Å; P1796-P1827 HydrophobicContact CG-CB 4.15Å; P1796-P1827 HydrophobicContact CG-CG 3.86Å; P1796-N1875 WeakPolarHBondContact CD-OD1 3.48Å; P1796-N1875 HydrophobicContact CG-CB 4.35Å; P1796-G1878 VanDerWaalsContact CD-C 3.47Å; P1796-G1878 VanDerWaalsContact CD-O 3.26Å; P1796-G1878 WeakPolarHBondContact CD-O 3.42Å; P1796-G1878 VanDerWaalsContact CG-O 3.3Å; P1796-G1878 WeakPolarHBondContact CG-O 3.33Å; P1796-I1880 HydrophobicContact CB-CD1 3.61Å; P1796-I1880 HydrophobicContact CB-CG1 3.78Å; P1796-I1880 HydrophobicContact CB-CG2 4.11Å; P1796-I1880 WeakPolarHBondContact O-CG2 3.33Å |
| 1797 | A | 73.7 | Confident | 56.5 | Low | 47 Ų | 47 | 87 Ų | 87 | 39% | 0.388 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 138.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | V1821 V1822 | A1797-V1821 CarbonylContact O-C 3.52Å; A1797-V1821 VanDerWaalsContact O-CA 3.31Å; A1797-V1821 WeakPolarHBondContact O-CA 3.33Å; A1797-V1822 HydrophobicContact CB-CG2 4.45Å; A1797-V1822 PolarHBondContact N-O 3.23Å; A1797-V1822 PolarHBondContact O-N 3.48Å |
| 1798 | F | 76.1 | Confident | 58 | Low | 63 Ų | 63 | 83.9 Ų | 83.9 | 28% | 0.276 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 142.5 | 172.5 | -56 | -67.7 | 0 | 0 | 0 | 110.7 | C1819 K1820 V1821 L1871 I1880 K1882 | F1798-C1819 HydrophobicContact CD1-CB 4.49Å; F1798-C1819 WeakPolarHBondContact CD1-SG 3.38Å; F1798-K1820 CarbonylContact C-O 3.54Å; F1798-K1820 VanDerWaalsContact CA-O 3.32Å; F1798-K1820 WeakPolarHBondContact CA-O 3.17Å; F1798-V1821 HydrophobicContact CD1-CG2 3.5Å; F1798-V1821 HydrophobicContact CE1-CG2 3.59Å; F1798-L1871 HydrophobicContact CE1-CD2 4.37Å; F1798-I1880 HydrophobicContact CD1-CD1 3.91Å; F1798-I1880 HydrophobicContact CD2-CD1 4Å; F1798-I1880 HydrophobicContact CE1-CD1 3.5Å; F1798-I1880 HydrophobicContact CE1-CG1 4.09Å; F1798-I1880 HydrophobicContact CE2-CB 3.92Å; F1798-I1880 HydrophobicContact CE2-CD1 3.62Å; F1798-I1880 HydrophobicContact CE2-CG1 3.94Å; F1798-I1880 HydrophobicContact CG-CD1 4.12Å; F1798-I1880 HydrophobicContact CZ-CB 3.94Å; F1798-I1880 HydrophobicContact CZ-CD1 3.32Å; F1798-I1880 HydrophobicContact CZ-CG1 3.52Å; F1798-K1882 HydrophobicContact CD1-CD 4.12Å; F1798-K1882 HydrophobicContact CD2-CD 4.13Å; F1798-K1882 HydrophobicContact CE1-CB 4.02Å; F1798-K1882 HydrophobicContact CE1-CD 4.09Å; F1798-K1882 HydrophobicContact CE2-CB 3.99Å; F1798-K1882 HydrophobicContact CE2-CD 4.09Å; F1798-K1882 HydrophobicContact CE2-CG 4.25Å; F1798-K1882 HydrophobicContact CG-CD 4.16Å; F1798-K1882 HydrophobicContact CZ-CB 3.55Å; F1798-K1882 HydrophobicContact CZ-CD 4.1Å; F1798-K1882 HydrophobicContact CZ-CG 4.23Å |
| 1799 | I | 64.4 | Low | 59.9 | Low | 92 Ų | 92 | 74.6 Ų | 74.6 | 47% | 0.472 | 41% | 0.409 | S | S | . | . | trans | -109.8 | -32.1 | 175.7 | -71.3 | -164.2 | 0 | 0 | 0 | 113.5 | K1820 V1822 | I1799-K1820 HydrophobicContact CB-CD 4.07Å; I1799-K1820 HydrophobicContact CB-CG 4.24Å; I1799-K1820 HydrophobicContact CG2-CD 4Å; I1799-K1820 PolarHBondContact N-O 2.81Å; I1799-V1822 HydrophobicContact CD1-CB 4.15Å; I1799-V1822 HydrophobicContact CD1-CG1 3.37Å; I1799-V1822 HydrophobicContact CD1-CG2 3.67Å; I1799-V1822 HydrophobicContact CG1-CG1 4.06Å; I1799-V1822 HydrophobicContact CG1-CG2 3.86Å | ||
| 1800 | D | 54 | Low | 61.7 | Low | 42 Ų | 42 | 73.8 Ų | 73.8 | 23% | 0.225 | 40% | 0.398 | C | S | . | . | trans | -114.3 | 141.6 | -175.4 | -57.6 | -28 | 0 | 0 | 0 | 111.7 | K1820 | D1800-K1820 HydrophobicContact CB-CB 4.3Å; D1800-K1820 IonicContact OD1-NZ 3.41Å; D1800-K1820 PolarHBondContact OD1-NZ 3.26Å; D1800-K1820 VanDerWaalsContact OD1-NZ 3.13Å; D1800-K1820 WeakPolarHBondContact OD2-CB 3.23Å; D1800-K1820 WeakPolarHBondContact OD2-CD 3.47Å; D1800-K1820 IonicContact OD2-NZ 2.83Å; D1800-K1820 PolarHBondContact OD2-NZ 2.86Å | ||
| 1801 | D | 50.8 | Low | 63.4 | Low | 110 Ų | 110 | 69.7 Ų | 69.7 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | trans | -86.2 | 3.4 | -178.5 | -85.9 | -35.7 | 0 | 0 | 0 | 114.9 | N1478 F1803 | N1478-D1801 PolarHBondContact ND2-OD2 2.79Å; D1801-F1803 PolarHBondContact O-N 2.93Å | ||
| 1802 | E | 50.3 | Low | 64.5 | Low | 105 Ų | 105 | 65.6 Ų | 65.6 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | trans | -63.3 | -4.9 | -174.9 | -60 | -168.3 | 104.6 | 0 | 0 | 115.3 | K1818 | E1802-K1818 WeakPolarHBondContact OE1-CE 3.45Å; E1802-K1818 IonicContact OE1-NZ 2.79Å; E1802-K1818 PolarHBondContact OE1-NZ 3.46Å; E1802-K1818 VanDerWaalsContact OE2-CE 3.23Å; E1802-K1818 WeakPolarHBondContact OE2-CE 3.39Å; E1802-K1818 IonicContact OE2-NZ 2.61Å; E1802-K1818 PolarHBondContact OE2-NZ 3.29Å | ||
| 1803 | F | 64.3 | Low | 65.8 | Low | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | trans | -94 | 99.8 | -179.1 | -168.8 | -74.6 | 0 | 0 | 0 | 110.3 | D1801 C1819 W1831 L1871 K1882 C1884 | D1801-F1803 PolarHBondContact O-N 2.93Å; F1803-C1819 HydrophobicContact CB-CB 4.36Å; F1803-C1819 HydrophobicContact CD2-CB 3.8Å; F1803-C1819 HydrophobicContact CE2-CB 4.49Å; F1803-C1819 HydrophobicContact CG-CB 4.44Å; F1803-W1831 AromaticContact CE2-CH2 3.64Å; F1803-W1831 HydrophobicContact CE2-CH2 3.64Å; F1803-W1831 HydrophobicContact CE2-CZ3 4.01Å; F1803-W1831 HydrophobicContact CZ-CH2 4.35Å; F1803-W1831 HydrophobicContact CZ-CZ3 4.26Å; F1803-L1871 HydrophobicContact CE2-CB 4.23Å; F1803-L1871 HydrophobicContact CE2-CD2 4.39Å; F1803-L1871 HydrophobicContact CZ-CB 4.42Å; F1803-K1882 HydrophobicContact CB-CD 3.97Å; F1803-K1882 HydrophobicContact CD1-CB 4.3Å; F1803-K1882 HydrophobicContact CD1-CD 3.67Å; F1803-K1882 HydrophobicContact CD1-CG 3.64Å; F1803-K1882 HydrophobicContact CD2-CD 4.44Å; F1803-K1882 HydrophobicContact CE1-CB 3.94Å; F1803-K1882 HydrophobicContact CE1-CD 4.2Å; F1803-K1882 HydrophobicContact CE1-CG 3.7Å; F1803-K1882 HydrophobicContact CG-CD 3.8Å; F1803-K1882 HydrophobicContact CG-CG 4.24Å; F1803-K1882 HydrophobicContact CZ-CB 4.08Å; F1803-K1882 HydrophobicContact CZ-CG 4.32Å; F1803-K1882 VanDerWaalsContact CZ-O 3.3Å; F1803-K1882 WeakPolarHBondContact CZ-O 3.19Å; F1803-C1884 HydrophobicContact CD1-CB 4.42Å; F1803-C1884 HydrophobicContact CE1-CB 3.63Å; F1803-C1884 HydrophobicContact CZ-CB 3.91Å | ||
| 1804 | S | 58.7 | Low | 66.8 | Low | 53 Ų | 53 | 62.9 Ų | 62.9 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | trans | -72.5 | 129.4 | 179.6 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | M1806 C1884 | S1804-M1806 VanDerWaalsContact C-N 3.25Å; S1804-M1806 PolarHBondContact O-N 3.05Å; S1804-C1884 WeakPolarHBondContact O-CB 3.31Å; S1804-C1884 PolarHBondContact O-SG 3.27Å; S1804-C1884 VanDerWaalsContact O-SG 3.33Å | ||
| 1805 | P | 59.8 | Low | 67.6 | Low | 69 Ų | 69 | 59.9 Ų | 59.9 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -69.7 | -18.5 | 179.3 | -24.7 | 37 | 0 | 0 | 0 | 115.1 | C1884 Q1885 | P1805-C1884 WeakPolarHBondContact O-CA 3.46Å; P1805-Q1885 PolarHBondContact O-N 2.8Å |
| 1806 | M | 64 | Low | 68.3 | Low | 115 Ų | 115 | 61.6 Ų | 61.6 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 134.4 | 174 | 176 | 174.9 | 169.7 | 0 | 0 | 107.1 | S1804 Q1885 F1887 | S1804-M1806 VanDerWaalsContact C-N 3.25Å; S1804-M1806 PolarHBondContact O-N 3.05Å; M1806-Q1885 WeakPolarHBondContact CA-O 3.49Å; M1806-F1887 HydrophobicContact CE-CD2 3.73Å; M1806-F1887 HydrophobicContact CE-CE2 3.63Å; M1806-F1887 HydrophobicContact CE-CG 4.38Å; M1806-F1887 HydrophobicContact CE-CZ 4.21Å; M1806-F1887 HydrophobicContact CG-CD2 3.84Å; M1806-F1887 HydrophobicContact CG-CE2 3.79Å; M1806-F1887 HydrophobicContact SD-CD2 4.36Å; M1806-F1887 HydrophobicContact SD-CE2 3.93Å |
| 1807 | M | 74 | Confident | 68.8 | Low | 41 Ų | 41 | 61.3 Ų | 61.3 | 20% | 0.202 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 116 | -178.7 | 178.4 | 176 | -69.2 | 0 | 0 | 109.3 | V1809 V1815 L1817 Q1885 L1886 F1887 | M1807-V1809 HydrophobicContact CG-CG1 4.28Å; M1807-V1815 HydrophobicContact SD-CB 4.46Å; M1807-V1815 HydrophobicContact SD-CG1 3.79Å; M1807-V1815 HydrophobicContact SD-CG2 3.87Å; M1807-L1817 HydrophobicContact CE-CD2 3.75Å; M1807-L1817 HydrophobicContact SD-CD2 4.03Å; M1807-Q1885 PolarHBondContact N-O 3.5Å; M1807-L1886 HydrophobicContact CB-CD1 3.93Å; M1807-L1886 HydrophobicContact CG-CD1 3.86Å; M1807-L1886 WeakPolarHBondContact O-CA 3.43Å; M1807-L1886 HydrophobicContact SD-CD1 3.97Å; M1807-F1887 PolarHBondContact O-N 3.34Å |
| 1808 | E | 74.9 | Confident | 69.1 | Low | 98 Ų | 98 | 61.7 Ų | 61.7 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 133.7 | 169.9 | -172.3 | 171.1 | 175.7 | 0 | 0 | 111.1 | F1887 S1889 | E1808-F1887 WeakPolarHBondContact CA-O 3.44Å; E1808-F1887 HydrophobicContact CB-CB 4.22Å; E1808-F1887 HydrophobicContact CG-CB 4.18Å; E1808-S1889 WeakPolarHBondContact OE1-CB 3.33Å; E1808-S1889 PolarHBondContact OE1-OG 2.95Å |
| 1809 | V | 73.3 | Confident | 69.1 | Low | 15 Ų | 15 | 58.8 Ų | 58.8 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 152 | -178.8 | -81.4 | 0 | 0 | 0 | 0 | 111 | M1807 V1815 V1861 L1886 F1887 V1888 S1889 | M1807-V1809 HydrophobicContact CG-CG1 4.28Å; V1809-V1815 HydrophobicContact CB-CG2 4.25Å; V1809-V1815 HydrophobicContact CG1-CG2 3.68Å; V1809-V1815 HydrophobicContact CG2-CG2 3.88Å; V1809-V1861 HydrophobicContact CG2-CG1 3.88Å; V1809-L1886 HydrophobicContact CG2-CD1 3.81Å; V1809-L1886 HydrophobicContact CG2-CG 4.27Å; V1809-F1887 PolarHBondContact N-O 3.25Å; V1809-V1888 HydrophobicContact CG2-CG2 4.42Å; V1809-V1888 WeakPolarHBondContact O-CA 3.3Å; V1809-S1889 PolarHBondContact O-N 3.43Å; V1809-S1889 PolarHBondContact O-OG 3.35Å |
| 1810 | I | 72.3 | Confident | 69.9 | Low | 60 Ų | 60 | 57.8 Ų | 57.8 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 144 | 176.6 | -63.7 | 147.7 | 0 | 0 | 0 | 109 | G1812 Q1813 S1889 Y1891 | I1810-G1812 PolarHBondContact O-N 2.97Å; I1810-Q1813 HydrophobicContact CB-CG 4.25Å; I1810-Q1813 WeakPolarHBondContact O-CB 3.5Å; I1810-Q1813 WeakPolarHBondContact O-CG 3.44Å; I1810-Q1813 PolarHBondContact O-N 2.84Å; I1810-Q1813 VanDerWaalsContact O-N 3.14Å; I1810-S1889 WeakPolarHBondContact CA-O 3.22Å; I1810-Y1891 HydrophobicContact CD1-CD2 4.46Å; I1810-Y1891 HydrophobicContact CD1-CE2 3.89Å; I1810-Y1891 HydrophobicContact CG1-CD2 4.49Å; I1810-Y1891 HydrophobicContact CG1-CE2 4.36Å; I1810-Y1891 HydrophobicContact CG2-CD2 3.93Å; I1810-Y1891 HydrophobicContact CG2-CE2 4.42Å |
| 1811 | A | 71.5 | Confident | 71.3 | Confident | 41 Ų | 41 | 55.8 Ų | 55.8 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 132.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1861 V1888 S1889 E1890 | A1811-V1861 CarbonylContact C-O 3.57Å; A1811-V1861 VanDerWaalsContact CA-O 3.24Å; A1811-V1861 WeakPolarHBondContact CA-O 3.34Å; A1811-V1888 HydrophobicContact CB-CG1 4.09Å; A1811-S1889 PolarHBondContact N-O 3.16Å; A1811-E1890 HydrophobicContact CB-CG 4.33Å |
| 1812 | G | 67 | Low | 72.7 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 2.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | I1810 D1860 V1861 | I1810-G1812 PolarHBondContact O-N 2.97Å; G1812-D1860 WeakPolarHBondContact CA-OD1 3.5Å; G1812-V1861 PolarHBondContact N-O 3.42Å |
| 1813 | Q | 72.7 | Confident | 73.9 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 40% | 0.402 | 28% | 0.28 | S | S | . | . | trans | -84.7 | 153.4 | 172.7 | -68.7 | -173.2 | -41.6 | 0 | 0 | 112.5 | I1810 V1861 | I1810-Q1813 HydrophobicContact CB-CG 4.25Å; I1810-Q1813 WeakPolarHBondContact O-CB 3.5Å; I1810-Q1813 WeakPolarHBondContact O-CG 3.44Å; I1810-Q1813 PolarHBondContact O-N 2.84Å; I1810-Q1813 VanDerWaalsContact O-N 3.14Å; Q1813-V1861 VanDerWaalsContact O-CB 3.26Å; Q1813-V1861 WeakPolarHBondContact O-CB 3.26Å; Q1813-V1861 VanDerWaalsContact O-CG2 3.22Å; Q1813-V1861 WeakPolarHBondContact O-CG2 3.41Å; Q1813-V1861 PolarHBondContact O-N 2.82Å | ||
| 1814 | V | 78 | Confident | 74.2 | Confident | 102 Ų | 102 | 51.3 Ų | 51.3 | 62% | 0.618 | 29% | 0.292 | S | S | * | . | trans | -81.7 | 132.5 | 169.6 | -178 | 0 | 0 | 0 | 0 | 109.1 | T1857 L1858 P1859 | V1814-T1857 HydrophobicContact CG1-CG2 4.39Å; V1814-L1858 WeakPolarHBondContact CA-O 3.41Å; V1814-P1859 WeakPolarHBondContact CG2-O 3.41Å | ||
| 1815 | V | 79.4 | Confident | 74.9 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.9 | 172.3 | 158.4 | 0 | 0 | 0 | 0 | 111.1 | M1807 V1809 L1817 T1857 L1858 V1861 L1886 | M1807-V1815 HydrophobicContact SD-CB 4.46Å; M1807-V1815 HydrophobicContact SD-CG1 3.79Å; M1807-V1815 HydrophobicContact SD-CG2 3.87Å; V1809-V1815 HydrophobicContact CB-CG2 4.25Å; V1809-V1815 HydrophobicContact CG1-CG2 3.68Å; V1809-V1815 HydrophobicContact CG2-CG2 3.88Å; V1815-L1817 HydrophobicContact CG1-CD2 4.14Å; V1815-L1817 HydrophobicContact CG1-CG 3.9Å; V1815-T1857 CarbonylContact O-C 3.54Å; V1815-T1857 WeakPolarHBondContact O-CA 3.39Å; V1815-L1858 HydrophobicContact CB-CB 4.19Å; V1815-L1858 HydrophobicContact CB-CD1 4.25Å; V1815-L1858 HydrophobicContact CB-CG 4.39Å; V1815-L1858 HydrophobicContact CG1-CD1 4.04Å; V1815-L1858 HydrophobicContact CG1-CG 4.3Å; V1815-L1858 PolarHBondContact N-O 3.06Å; V1815-L1858 PolarHBondContact O-N 3.02Å; V1815-V1861 HydrophobicContact CB-CG2 3.76Å; V1815-V1861 HydrophobicContact CG2-CG2 3.68Å; V1815-L1886 HydrophobicContact CG1-CD1 4.25Å; V1815-L1886 HydrophobicContact CG2-CD1 4.2Å |
| 1816 | E | 82.8 | Confident | 75.2 | Confident | 83 Ų | 83 | 53.5 Ų | 53.5 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 112.4 | 175.1 | 178.5 | 168.1 | 161.2 | 0 | 0 | 109.7 | K1818 K1855 | E1816-K1818 HydrophobicContact CG-CG 4.38Å; E1816-K1855 HydrophobicContact CG-CD 4.23Å; E1816-K1855 HydrophobicContact CG-CG 4.3Å; E1816-K1855 WeakPolarHBondContact OE1-CD 3.46Å; E1816-K1855 VanDerWaalsContact OE1-CE 3.25Å; E1816-K1855 WeakPolarHBondContact OE1-CE 3.44Å; E1816-K1855 IonicContact OE1-NZ 2.72Å; E1816-K1855 PolarHBondContact OE1-NZ 2.97Å; E1816-K1855 WeakPolarHBondContact OE2-CE 3.4Å; E1816-K1855 IonicContact OE2-NZ 3.15Å; E1816-K1855 PolarHBondContact OE2-NZ 3.5Å |
| 1817 | L | 81.9 | Confident | 75.5 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 105.5 | 175.1 | -60 | 178.8 | 0 | 0 | 0 | 108.3 | M1807 V1815 W1831 L1856 W1869 C1884 | M1807-L1817 HydrophobicContact CE-CD2 3.75Å; M1807-L1817 HydrophobicContact SD-CD2 4.03Å; V1815-L1817 HydrophobicContact CG1-CD2 4.14Å; V1815-L1817 HydrophobicContact CG1-CG 3.9Å; L1817-W1831 HydrophobicContact CB-CH2 3.66Å; L1817-W1831 HydrophobicContact CB-CZ3 4.26Å; L1817-W1831 HydrophobicContact CD1-CZ3 4.33Å; L1817-L1856 HydrophobicContact CB-CB 4.41Å; L1817-L1856 HydrophobicContact CD1-CD2 4.19Å; L1817-L1856 PolarHBondContact N-O 3.43Å; L1817-L1856 PolarHBondContact O-N 3.36Å; L1817-W1869 HydrophobicContact CD1-CB 4.15Å; L1817-W1869 HydrophobicContact CD1-CG 4.32Å; L1817-C1884 HydrophobicContact CD1-CB 4.28Å; L1817-C1884 HydrophobicContact CD2-CB 4.41Å |
| 1818 | K | 81.6 | Confident | 75.4 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 24% | 0.239 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.1 | -176.7 | 51.2 | 169.1 | 176.6 | 155.9 | 0 | 111.1 | E1802 E1816 M1853 Y1854 K1855 | E1802-K1818 WeakPolarHBondContact OE1-CE 3.45Å; E1802-K1818 IonicContact OE1-NZ 2.79Å; E1802-K1818 PolarHBondContact OE1-NZ 3.46Å; E1802-K1818 VanDerWaalsContact OE2-CE 3.23Å; E1802-K1818 WeakPolarHBondContact OE2-CE 3.39Å; E1802-K1818 IonicContact OE2-NZ 2.61Å; E1802-K1818 PolarHBondContact OE2-NZ 3.29Å; E1816-K1818 HydrophobicContact CG-CG 4.38Å; K1818-M1853 HydrophobicContact CB-SD 4.31Å; K1818-Y1854 CarbonylContact C-O 3.56Å; K1818-Y1854 WeakPolarHBondContact CA-O 3.45Å; K1818-K1855 HydrophobicContact CB-CB 4.3Å |
| 1819 | C | 75.3 | Confident | 75.6 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 138.1 | 172.7 | -150.2 | 0 | 0 | 0 | 0 | 111.3 | F1798 F1803 M1853 Y1854 L1871 | F1798-C1819 HydrophobicContact CD1-CB 4.49Å; F1798-C1819 WeakPolarHBondContact CD1-SG 3.38Å; F1803-C1819 HydrophobicContact CB-CB 4.36Å; F1803-C1819 HydrophobicContact CD2-CB 3.8Å; F1803-C1819 HydrophobicContact CE2-CB 4.49Å; F1803-C1819 HydrophobicContact CG-CB 4.44Å; C1819-M1853 VanDerWaalsContact C-SD 3.52Å; C1819-Y1854 PolarHBondContact N-O 3.01Å; C1819-Y1854 PolarHBondContact O-N 3.13Å; C1819-L1871 HydrophobicContact CB-CD2 3.62Å |
| 1820 | K | 81.2 | Confident | 75.4 | Confident | 71 Ų | 71 | 46.3 Ų | 46.3 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129.8 | 175 | -175.1 | -179.6 | 171.3 | -169.6 | 0 | 110.6 | F1798 I1799 D1800 G1852 M1853 | F1798-K1820 CarbonylContact C-O 3.54Å; F1798-K1820 VanDerWaalsContact CA-O 3.32Å; F1798-K1820 WeakPolarHBondContact CA-O 3.17Å; I1799-K1820 HydrophobicContact CB-CD 4.07Å; I1799-K1820 HydrophobicContact CB-CG 4.24Å; I1799-K1820 HydrophobicContact CG2-CD 4Å; I1799-K1820 PolarHBondContact N-O 2.81Å; D1800-K1820 HydrophobicContact CB-CB 4.3Å; D1800-K1820 IonicContact OD1-NZ 3.41Å; D1800-K1820 PolarHBondContact OD1-NZ 3.26Å; D1800-K1820 VanDerWaalsContact OD1-NZ 3.13Å; D1800-K1820 WeakPolarHBondContact OD2-CB 3.23Å; D1800-K1820 WeakPolarHBondContact OD2-CD 3.47Å; D1800-K1820 IonicContact OD2-NZ 2.83Å; D1800-K1820 PolarHBondContact OD2-NZ 2.86Å; K1820-G1852 WeakPolarHBondContact CA-O 3.43Å; K1820-M1853 HydrophobicContact CB-CE 3.8Å; K1820-M1853 HydrophobicContact CB-SD 3.96Å; K1820-M1853 HydrophobicContact CD-CE 4.27Å; K1820-M1853 HydrophobicContact CG-CE 4.35Å |
| 1821 | V | 83.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.2 | 179.6 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | P1796 A1797 F1798 P1827 G1852 Y1854 I1880 | P1796-V1821 HydrophobicContact CB-CG1 4.08Å; A1797-V1821 CarbonylContact O-C 3.52Å; A1797-V1821 VanDerWaalsContact O-CA 3.31Å; A1797-V1821 WeakPolarHBondContact O-CA 3.33Å; F1798-V1821 HydrophobicContact CD1-CG2 3.5Å; F1798-V1821 HydrophobicContact CE1-CG2 3.59Å; V1821-P1827 HydrophobicContact CG1-CB 4.21Å; V1821-P1827 HydrophobicContact CG1-CG 3.91Å; V1821-G1852 PolarHBondContact N-O 3.2Å; V1821-G1852 WeakPolarHBondContact O-CA 3.32Å; V1821-Y1854 HydrophobicContact CB-CD2 4.18Å; V1821-Y1854 HydrophobicContact CB-CE2 3.53Å; V1821-Y1854 HydrophobicContact CG1-CE2 4.21Å; V1821-Y1854 HydrophobicContact CG2-CD2 3.78Å; V1821-Y1854 HydrophobicContact CG2-CE2 3.52Å; V1821-I1880 HydrophobicContact CG1-CD1 3.78Å; V1821-I1880 HydrophobicContact CG2-CD1 4.09Å |
| 1822 | V | 81.2 | Confident | 75.4 | Confident | 61 Ų | 61 | 42.3 Ų | 42.3 | 37% | 0.37 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 163.6 | 168 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | P1796 A1797 I1799 | P1796-V1822 CarbonylContact C-O 3.58Å; P1796-V1822 VanDerWaalsContact CA-O 3.25Å; P1796-V1822 WeakPolarHBondContact CA-O 3.46Å; A1797-V1822 HydrophobicContact CB-CG2 4.45Å; A1797-V1822 PolarHBondContact N-O 3.23Å; A1797-V1822 PolarHBondContact O-N 3.48Å; I1799-V1822 HydrophobicContact CD1-CB 4.15Å; I1799-V1822 HydrophobicContact CD1-CG1 3.37Å; I1799-V1822 HydrophobicContact CD1-CG2 3.67Å; I1799-V1822 HydrophobicContact CG1-CG1 4.06Å; I1799-V1822 HydrophobicContact CG1-CG2 3.86Å |
| 1823 | G | 75.4 | Confident | 75.8 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.6 | 165.2 | 174 | 0 | 0 | 0 | 0 | 0 | 108.9 | P1825 L1826 | G1823-P1825 CarbonylContact C-O 3.58Å; G1823-P1825 CarbonylContact O-C 3.41Å; G1823-P1825 VanDerWaalsContact O-C 3.32Å; G1823-L1826 PolarHBondContact O-N 3.29Å |
| 1824 | N | 70.3 | Confident | 75.4 | Confident | 51 Ų | 51 | 41.6 Ų | 41.6 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 106 | 172.5 | -171.6 | 12.1 | 0 | 0 | 0 | 109.3 | K1792 K1793 T1794 | K1792-N1824 PolarHBondContact O-ND2 2.79Å; K1792-N1824 VanDerWaalsContact O-ND2 3.1Å; K1793-N1824 CarbonylContact C-O 3.54Å; K1793-N1824 VanDerWaalsContact CA-O 3.31Å; K1793-N1824 WeakPolarHBondContact CA-O 3.39Å; T1794-N1824 PolarHBondContact N-O 2.78Å; T1794-N1824 PolarHBondContact O-N 3.19Å; T1794-N1824 WeakPolarHBondContact OG1-CB 3.37Å; T1794-N1824 PolarHBondContact OG1-N 3.45Å |
| 1825 | P | 72.7 | Confident | 74.1 | Confident | 60 Ų | 60 | 38.4 Ų | 38.4 | 39% | 0.39 | 21% | 0.214 | S | C | . | . | S | Bend | cis | -66.1 | 163 | 3.8 | -21.5 | 34.6 | 0 | 0 | 0 | 114.6 | G1823 P1827 N1875 S1876 | G1823-P1825 CarbonylContact C-O 3.58Å; G1823-P1825 CarbonylContact O-C 3.41Å; G1823-P1825 VanDerWaalsContact O-C 3.32Å; P1825-P1827 WeakPolarHBondContact O-CD 3.13Å; P1825-N1875 PolarHBondContact O-ND2 2.91Å; P1825-S1876 WeakPolarHBondContact CD-OG 3.47Å |
| 1826 | L | 67.4 | Low | 72.9 | Confident | 108 Ų | 108 | 42.6 Ų | 42.6 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -58.3 | 126.7 | 177.1 | -168.2 | 78.3 | 0 | 0 | 0 | 110.2 | G1823 | G1823-L1826 PolarHBondContact O-N 3.29Š|
| 1827 | P | 70.2 | Confident | 71.6 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 152.8 | -172.6 | -27.4 | 39.2 | 0 | 0 | 0 | 115.9 | P1796 V1821 P1825 Y1854 S1873 Y1874 N1875 | P1796-P1827 HydrophobicContact CB-CB 4.18Å; P1796-P1827 HydrophobicContact CB-CG 3.73Å; P1796-P1827 HydrophobicContact CG-CB 4.15Å; P1796-P1827 HydrophobicContact CG-CG 3.86Å; V1821-P1827 HydrophobicContact CG1-CB 4.21Å; V1821-P1827 HydrophobicContact CG1-CG 3.91Å; P1825-P1827 WeakPolarHBondContact O-CD 3.13Å; P1827-Y1854 VanDerWaalsContact C-OH 3.26Å; P1827-Y1854 PolarHBondContact O-OH 3.24Å; P1827-S1873 VanDerWaalsContact CB-OG 3.27Å; P1827-S1873 WeakPolarHBondContact CB-OG 3.48Å; P1827-Y1874 CarbonylContact C-O 3.5Å; P1827-Y1874 VanDerWaalsContact CA-O 3.29Å; P1827-Y1874 WeakPolarHBondContact CA-O 3.33Å; P1827-Y1874 WeakPolarHBondContact CB-O 3.41Å; P1827-N1875 HydrophobicContact CB-CB 4.44Å; P1827-N1875 HydrophobicContact CG-CB 4.33Å |
| 1828 | S | 71.5 | Confident | 70.6 | Confident | 55 Ų | 55 | 43.9 Ų | 43.9 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 167.9 | 163.2 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | S1873 Y1874 | S1828-S1873 CarbonylContact O-C 3.59Å; S1828-S1873 WeakPolarHBondContact O-CA 3.3Å; S1828-S1873 WeakPolarHBondContact O-CB 3.17Å; S1828-S1873 PolarHBondContact O-OG 2.88Å; S1828-Y1874 VanDerWaalsContact CB-CZ 3.42Å; S1828-Y1874 PolarHBondContact N-O 2.89Å; S1828-Y1874 PolarHBondContact O-N 2.82Å |
| 1829 | F | 77.9 | Confident | 69.2 | Low | 44 Ų | 44 | 43.9 Ų | 43.9 | 19% | 0.193 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 163.5 | -179.7 | 82.3 | -64.4 | 0 | 0 | 0 | 113.7 | W1831 I1847 Q1849 Y1854 L1871 I1872 | F1829-W1831 AromaticContact CE2-CD1 3.95Å; F1829-W1831 AromaticContact CE2-NE1 3.84Å; F1829-I1847 HydrophobicContact CE2-CG2 3.68Å; F1829-I1847 HydrophobicContact CZ-CG2 3.86Å; F1829-Q1849 HydrophobicContact CE1-CB 3.8Å; F1829-Q1849 HydrophobicContact CE1-CG 4.12Å; F1829-Q1849 HydrophobicContact CZ-CB 4.02Å; F1829-Y1854 HydrophobicContact CB-CD1 3.84Å; F1829-Y1854 HydrophobicContact CB-CD2 4.02Å; F1829-Y1854 HydrophobicContact CB-CE1 3.68Å; F1829-Y1854 HydrophobicContact CB-CE2 3.83Å; F1829-Y1854 HydrophobicContact CB-CG 4.02Å; F1829-Y1854 AromaticContact CD1-CD1 3.3Å; F1829-Y1854 HydrophobicContact CD1-CD1 3.3Å; F1829-Y1854 AromaticContact CD1-CE1 3.28Å; F1829-Y1854 HydrophobicContact CD1-CE1 3.28Å; F1829-Y1854 HydrophobicContact CD1-CG 4.2Å; F1829-Y1854 AromaticContact CD2-CD1 3.61Å; F1829-Y1854 HydrophobicContact CD2-CD1 3.61Å; F1829-Y1854 HydrophobicContact CD2-CD2 4.42Å; F1829-Y1854 HydrophobicContact CD2-CE1 4.28Å; F1829-Y1854 AromaticContact CD2-CG 3.71Å; F1829-Y1854 HydrophobicContact CD2-CG 3.71Å; F1829-Y1854 AromaticContact CE1-CD1 3.68Å; F1829-Y1854 HydrophobicContact CE1-CD1 3.68Å; F1829-Y1854 AromaticContact CE1-CE1 3.97Å; F1829-Y1854 HydrophobicContact CE1-CE1 3.97Å; F1829-Y1854 AromaticContact CE2-CD1 3.94Å; F1829-Y1854 HydrophobicContact CE2-CD1 3.94Å; F1829-Y1854 HydrophobicContact CE2-CG 4.21Å; F1829-Y1854 AromaticContact CG-CD1 3.27Å; F1829-Y1854 HydrophobicContact CG-CD1 3.27Å; F1829-Y1854 HydrophobicContact CG-CD2 4.22Å; F1829-Y1854 AromaticContact CG-CE1 3.47Å; F1829-Y1854 HydrophobicContact CG-CE1 3.47Å; F1829-Y1854 VanDerWaalsContact CG-CE1 3.47Å; F1829-Y1854 HydrophobicContact CG-CE2 4.35Å; F1829-Y1854 AromaticContact CG-CG 3.7Å; F1829-Y1854 HydrophobicContact CG-CG 3.7Å; F1829-Y1854 AromaticContact CZ-CD1 3.97Å; F1829-Y1854 HydrophobicContact CZ-CD1 3.97Å; F1829-L1871 HydrophobicContact CB-CD1 4.2Å; F1829-L1871 HydrophobicContact CD2-CD1 3.86Å; F1829-I1872 CarbonylContact C-O 3.55Å; F1829-I1872 WeakPolarHBondContact CA-O 3.31Å |
| 1830 | F | 69.7 | Low | 67.9 | Low | 16 Ų | 16 | 48.8 Ų | 48.8 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 169 | 163.3 | 57.9 | -83 | 0 | 0 | 0 | 110.2 | Y1680 I1698 L1832 M1837 I1872 Y1874 | Y1680-F1830 AromaticContact CD2-CE1 3.94Å; Y1680-F1830 HydrophobicContact CD2-CE1 3.94Å; Y1680-F1830 AromaticContact CD2-CZ 3.87Å; Y1680-F1830 HydrophobicContact CD2-CZ 3.87Å; Y1680-F1830 AromaticContact CE2-CD1 3.64Å; Y1680-F1830 HydrophobicContact CE2-CD1 3.64Å; Y1680-F1830 HydrophobicContact CE2-CD2 4.27Å; Y1680-F1830 AromaticContact CE2-CE1 3.21Å; Y1680-F1830 HydrophobicContact CE2-CE1 3.21Å; Y1680-F1830 AromaticContact CE2-CE2 3.89Å; Y1680-F1830 HydrophobicContact CE2-CE2 3.89Å; Y1680-F1830 HydrophobicContact CE2-CG 4.15Å; Y1680-F1830 AromaticContact CE2-CZ 3.35Å; Y1680-F1830 HydrophobicContact CE2-CZ 3.35Å; Y1680-F1830 AromaticContact CZ-CD1 3.66Å; Y1680-F1830 AromaticContact CZ-CE1 3.62Å; Y1680-F1830 VanDerWaalsContact OH-CD1 3.25Å; Y1680-F1830 WeakPolarHBondContact OH-CD1 3.45Å; I1698-F1830 HydrophobicContact CD1-CZ 4.43Å; F1830-L1832 HydrophobicContact CD2-CD2 3.98Å; F1830-L1832 HydrophobicContact CD2-CG 4.42Å; F1830-L1832 HydrophobicContact CE2-CD2 3.84Å; F1830-L1832 HydrophobicContact CE2-CG 4.19Å; F1830-M1837 HydrophobicContact CB-CE 3.92Å; F1830-M1837 HydrophobicContact CD2-CE 4.19Å; F1830-M1837 HydrophobicContact CD2-CG 4.41Å; F1830-M1837 HydrophobicContact CG-CE 4.09Å; F1830-I1872 HydrophobicContact CD1-CB 4.31Å; F1830-I1872 HydrophobicContact CD1-CG2 4.5Å; F1830-I1872 HydrophobicContact CD2-CB 4.31Å; F1830-I1872 HydrophobicContact CE1-CB 3.84Å; F1830-I1872 HydrophobicContact CE1-CG2 3.66Å; F1830-I1872 HydrophobicContact CE2-CB 3.85Å; F1830-I1872 HydrophobicContact CE2-CD1 3.77Å; F1830-I1872 HydrophobicContact CE2-CG1 4.07Å; F1830-I1872 HydrophobicContact CE2-CG2 4.31Å; F1830-I1872 HydrophobicContact CZ-CB 3.6Å; F1830-I1872 HydrophobicContact CZ-CD1 3.8Å; F1830-I1872 HydrophobicContact CZ-CG1 4.15Å; F1830-I1872 HydrophobicContact CZ-CG2 3.56Å; F1830-I1872 PolarHBondContact N-O 2.77Å; F1830-I1872 PolarHBondContact O-N 2.91Å; F1830-Y1874 HydrophobicContact CD1-CE1 4.16Å; F1830-Y1874 HydrophobicContact CE1-CD1 4.24Å; F1830-Y1874 HydrophobicContact CE1-CE1 4.13Å |
| 1831 | W | 74.4 | Confident | 65.9 | Low | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 142.2 | 176.9 | -72.4 | 88.5 | 0 | 0 | 0 | 111.3 | F1803 L1817 F1829 M1838 I1847 L1856 W1869 D1870 L1871 | F1803-W1831 AromaticContact CE2-CH2 3.64Å; F1803-W1831 HydrophobicContact CE2-CH2 3.64Å; F1803-W1831 HydrophobicContact CE2-CZ3 4.01Å; F1803-W1831 HydrophobicContact CZ-CH2 4.35Å; F1803-W1831 HydrophobicContact CZ-CZ3 4.26Å; L1817-W1831 HydrophobicContact CB-CH2 3.66Å; L1817-W1831 HydrophobicContact CB-CZ3 4.26Å; L1817-W1831 HydrophobicContact CD1-CZ3 4.33Å; F1829-W1831 AromaticContact CE2-CD1 3.95Å; F1829-W1831 AromaticContact CE2-NE1 3.84Å; W1831-M1838 HydrophobicContact CB-CB 4.22Å; W1831-M1838 PolarHBondContact O-N 3.4Å; W1831-I1847 HydrophobicContact CB-CD1 4.4Å; W1831-L1856 HydrophobicContact CD2-CB 4.04Å; W1831-L1856 HydrophobicContact CD2-CD2 3.95Å; W1831-L1856 HydrophobicContact CE3-CB 4.41Å; W1831-L1856 HydrophobicContact CE3-CD2 3.7Å; W1831-L1856 HydrophobicContact CH2-CB 3.8Å; W1831-L1856 HydrophobicContact CH2-CD2 4.11Å; W1831-L1856 HydrophobicContact CZ2-CB 3.42Å; W1831-L1856 VanDerWaalsContact CZ2-CB 3.42Å; W1831-L1856 HydrophobicContact CZ2-CD2 4.39Å; W1831-L1856 HydrophobicContact CZ3-CB 4.3Å; W1831-L1856 HydrophobicContact CZ3-CD2 3.79Å; W1831-W1869 HydrophobicContact CZ3-CB 4.45Å; W1831-D1870 CarbonylContact C-O 3.51Å; W1831-D1870 VanDerWaalsContact CA-O 3.3Å; W1831-D1870 WeakPolarHBondContact CA-O 3.42Å; W1831-L1871 HydrophobicContact CD2-CB 4.33Å; W1831-L1871 HydrophobicContact CD2-CD1 4.34Å; W1831-L1871 HydrophobicContact CE3-CB 4.1Å; W1831-L1871 HydrophobicContact CH2-CB 4.13Å; W1831-L1871 HydrophobicContact CZ2-CB 4.29Å; W1831-L1871 HydrophobicContact CZ2-CD1 4.24Å; W1831-L1871 HydrophobicContact CZ2-CD2 4.49Å; W1831-L1871 HydrophobicContact CZ3-CB 4.01Å |
| 1832 | L | 69.8 | Low | 64.1 | Low | 17 Ų | 17 | 55.2 Ų | 55.2 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 150.8 | 163.8 | -49.9 | 178.8 | 0 | 0 | 0 | 110.1 | F1830 D1836 M1837 W1869 D1870 I1872 | F1830-L1832 HydrophobicContact CD2-CD2 3.98Å; F1830-L1832 HydrophobicContact CD2-CG 4.42Å; F1830-L1832 HydrophobicContact CE2-CD2 3.84Å; F1830-L1832 HydrophobicContact CE2-CG 4.19Å; L1832-D1836 CarbonylContact C-O 3.47Å; L1832-D1836 VanDerWaalsContact CA-O 3.22Å; L1832-D1836 WeakPolarHBondContact CA-O 3.44Å; L1832-M1837 HydrophobicContact CD2-CB 3.89Å; L1832-M1837 HydrophobicContact CD2-CG 4.24Å; L1832-W1869 WeakPolarHBondContact O-CA 3.42Å; L1832-D1870 HydrophobicContact CB-CB 4.15Å; L1832-D1870 PolarHBondContact N-O 3.37Å; L1832-D1870 PolarHBondContact O-N 3.24Å; L1832-I1872 HydrophobicContact CD1-CD1 3.8Å; L1832-I1872 HydrophobicContact CG-CD1 4.32Å |
| 1833 | K | 75.7 | Confident | 62.1 | Low | 32 Ų | 32 | 60.6 Ų | 60.6 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.8 | 161.1 | -175.7 | -168.3 | -174.5 | -69.9 | 0 | 108.1 | G1835 D1836 M1838 Q1864 H1865 S1866 I1868 W1869 | K1833-G1835 PolarHBondContact O-N 3.1Å; K1833-D1836 PolarHBondContact N-O 3.23Å; K1833-D1836 PolarHBondContact O-N 3.44Å; K1833-M1838 HydrophobicContact CB-CE 3.85Å; K1833-M1838 HydrophobicContact CB-CG 4.01Å; K1833-M1838 HydrophobicContact CB-SD 3.92Å; K1833-M1838 HydrophobicContact CD-CE 4.03Å; K1833-Q1864 WeakPolarHBondContact CE-O 3.2Å; K1833-Q1864 PolarHBondContact NZ-O 3.2Å; K1833-Q1864 VanDerWaalsContact NZ-O 3.12Å; K1833-H1865 WeakPolarHBondContact CE-O 3.32Å; K1833-S1866 WeakPolarHBondContact CE-O 3.3Å; K1833-S1866 PolarHBondContact NZ-O 3.39Å; K1833-I1868 CarbonylContact C-O 3.47Å; K1833-I1868 WeakPolarHBondContact CA-O 3.48Å; K1833-W1869 HydrophobicContact CB-CD2 4.14Å; K1833-W1869 HydrophobicContact CB-CE3 3.95Å; K1833-W1869 HydrophobicContact CB-CH2 4.41Å; K1833-W1869 HydrophobicContact CB-CZ3 4.11Å; K1833-W1869 HydrophobicContact CD-CH2 4.04Å; K1833-W1869 HydrophobicContact CD-CZ2 3.65Å; K1833-W1869 HydrophobicContact CG-CD2 4.02Å; K1833-W1869 HydrophobicContact CG-CE3 4.31Å; K1833-W1869 HydrophobicContact CG-CH2 4.41Å; K1833-W1869 HydrophobicContact CG-CZ2 4.06Å |
| 1834 | D | 64.2 | Low | 61.3 | Low | 93 Ų | 93 | 63.8 Ų | 63.8 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 28 | -178.3 | -54.1 | -55.8 | 0 | 0 | 0 | 113.9 | G1867 I1868 | D1834-G1867 WeakPolarHBondContact OD1-CA 3.23Å; D1834-I1868 PolarHBondContact N-O 2.92Å; D1834-I1868 PolarHBondContact OD1-N 2.88Å |
| 1835 | G | 51.2 | Low | 60.9 | Low | 35 Ų | 35 | 62.3 Ų | 62.3 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -12.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K1833 | K1833-G1835 PolarHBondContact O-N 3.1Š|
| 1836 | D | 52.8 | Low | 60.5 | Low | 91 Ų | 91 | 65.5 Ų | 65.5 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 133.8 | 179.1 | -85.1 | -35.9 | 0 | 0 | 0 | 113.1 | R1700 L1832 K1833 M1838 | R1700-D1836 IonicContact CZ-OD1 2.9Å; R1700-D1836 IonicContact NE-OD1 3.23Å; R1700-D1836 PolarHBondContact NE-OD1 2.92Å; R1700-D1836 VanDerWaalsContact NE-OD1 3.14Å; R1700-D1836 IonicContact NH2-OD1 2.68Å; R1700-D1836 PolarHBondContact NH2-OD1 3.29Å; L1832-D1836 CarbonylContact C-O 3.47Å; L1832-D1836 VanDerWaalsContact CA-O 3.22Å; L1832-D1836 WeakPolarHBondContact CA-O 3.44Å; K1833-D1836 PolarHBondContact N-O 3.23Å; K1833-D1836 PolarHBondContact O-N 3.44Å; D1836-M1838 PolarHBondContact O-N 3.39Å |
| 1837 | M | 56.6 | Low | 60.5 | Low | 82 Ų | 82 | 62.5 Ų | 62.5 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.8 | -172.2 | -169.6 | -175.2 | -174.1 | 0 | 0 | 112.9 | I1679 Y1680 F1830 L1832 S1839 | I1679-M1837 HydrophobicContact CG2-SD 3.73Å; Y1680-M1837 HydrophobicContact CE2-CE 4.2Å; Y1680-M1837 VanDerWaalsContact OH-CE 3.27Å; Y1680-M1837 WeakPolarHBondContact OH-CE 3.45Å; F1830-M1837 HydrophobicContact CB-CE 3.92Å; F1830-M1837 HydrophobicContact CD2-CE 4.19Å; F1830-M1837 HydrophobicContact CD2-CG 4.41Å; F1830-M1837 HydrophobicContact CG-CE 4.09Å; L1832-M1837 HydrophobicContact CD2-CB 3.89Å; L1832-M1837 HydrophobicContact CD2-CG 4.24Å; M1837-S1839 PolarHBondContact O-N 3.45Å |
| 1838 | M | 60.8 | Low | 60.5 | Low | 30 Ų | 30 | 65 Ų | 65 | 15% | 0.148 | 37% | 0.368 | C | S | . | . | trans | -89.6 | 105 | -172.1 | -64 | -62 | -103.2 | 0 | 0 | 112 | W1831 K1833 D1836 F1845 I1847 W1869 | W1831-M1838 HydrophobicContact CB-CB 4.22Å; W1831-M1838 PolarHBondContact O-N 3.4Å; K1833-M1838 HydrophobicContact CB-CE 3.85Å; K1833-M1838 HydrophobicContact CB-CG 4.01Å; K1833-M1838 HydrophobicContact CB-SD 3.92Å; K1833-M1838 HydrophobicContact CD-CE 4.03Å; D1836-M1838 PolarHBondContact O-N 3.39Å; M1838-F1845 HydrophobicContact CB-CE2 3.94Å; M1838-F1845 HydrophobicContact CB-CZ 3.93Å; M1838-F1845 HydrophobicContact CE-CD1 3.86Å; M1838-F1845 HydrophobicContact CE-CE1 3.28Å; M1838-F1845 HydrophobicContact CE-CE2 4.32Å; M1838-F1845 HydrophobicContact CE-CZ 3.55Å; M1838-F1845 HydrophobicContact CG-CZ 4.39Å; M1838-F1845 HydrophobicContact SD-CE1 4.12Å; M1838-F1845 HydrophobicContact SD-CZ 3.87Å; M1838-I1847 HydrophobicContact CB-CD1 4.24Å; M1838-I1847 WeakPolarHBondContact O-CD1 3.42Å; M1838-W1869 HydrophobicContact CE-CE3 4.49Å; M1838-W1869 HydrophobicContact CE-CH2 3.34Å; M1838-W1869 HydrophobicContact CE-CZ2 4.36Å; M1838-W1869 HydrophobicContact CE-CZ3 3.41Å; M1838-W1869 VanDerWaalsContact CE-CZ3 3.41Å; M1838-W1869 HydrophobicContact CG-CZ3 4.09Å | ||
| 1839 | S | 51.2 | Low | 60.2 | Low | 55 Ų | 55 | 67.4 Ų | 67.4 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | trans | -81.2 | 152.2 | 173.5 | 65.1 | 0 | 0 | 0 | 0 | 112.2 | M1837 T1841 F1845 | M1837-S1839 PolarHBondContact O-N 3.45Å; S1839-T1841 PolarHBondContact O-N 3.06Å; S1839-T1841 PolarHBondContact OG-OG1 3.15Å; S1839-F1845 WeakPolarHBondContact O-CE2 3.46Å; S1839-F1845 WeakPolarHBondContact O-CZ 3.46Å | ||
| 1840 | S | 48.8 | Very low | 59.3 | Low | 104 Ų | 104 | 69 Ų | 69 | 73% | 0.727 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 18.4 | 177.8 | 62.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1841 | T | 39.6 | Very low | 59.1 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 68% | 0.675 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -3.3 | -173.2 | 57 | 0 | 0 | 0 | 0 | 113.7 | S1839 | S1839-T1841 PolarHBondContact O-N 3.06Å; S1839-T1841 PolarHBondContact OG-OG1 3.15Å |
| 1842 | N | 43.9 | Very low | 58.8 | Low | 96 Ų | 96 | 78.5 Ų | 78.5 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -90 | 136.7 | 176.1 | -87.9 | -17.1 | 0 | 0 | 0 | 111.2 | N1844 F1845 | N1842-N1844 VanDerWaalsContact C-N 3.27Å; N1842-N1844 PolarHBondContact O-N 3.43Å; N1842-N1844 VanDerWaalsContact O-N 3.1Å; N1842-F1845 HydrophobicContact CB-CD1 4.37Å; N1842-F1845 HydrophobicContact CB-CE1 3.45Å; N1842-F1845 VanDerWaalsContact CB-CE1 3.45Å; N1842-F1845 HydrophobicContact CB-CZ 3.64Å |
| 1843 | L | 40.1 | Very low | 59.3 | Low | 175 Ų | 175 | 80 Ų | 80 | 92% | 0.916 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.5 | -161.4 | -79.6 | 157.6 | 0 | 0 | 0 | 116.7 | ||
| 1844 | N | 58.3 | Low | 59.6 | Low | 81 Ų | 81 | 78.5 Ų | 78.5 | 43% | 0.433 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 6.6 | -167.5 | -68 | 5.7 | 0 | 0 | 0 | 115 | N1842 P1859 | N1842-N1844 VanDerWaalsContact C-N 3.27Å; N1842-N1844 PolarHBondContact O-N 3.43Å; N1842-N1844 VanDerWaalsContact O-N 3.1Å; N1844-P1859 VanDerWaalsContact O-CD 3.25Å; N1844-P1859 WeakPolarHBondContact O-CD 3.44Å |
| 1845 | F | 63 | Low | 60.4 | Low | 21 Ų | 21 | 76.8 Ų | 76.8 | 9% | 0.092 | 42% | 0.421 | C | S | . | . | trans | -152.8 | 160.4 | 179.4 | 58.7 | -93.7 | 0 | 0 | 0 | 113.7 | M1838 S1839 N1842 I1847 L1856 T1857 L1858 | M1838-F1845 HydrophobicContact CB-CE2 3.94Å; M1838-F1845 HydrophobicContact CB-CZ 3.93Å; M1838-F1845 HydrophobicContact CE-CD1 3.86Å; M1838-F1845 HydrophobicContact CE-CE1 3.28Å; M1838-F1845 HydrophobicContact CE-CE2 4.32Å; M1838-F1845 HydrophobicContact CE-CZ 3.55Å; M1838-F1845 HydrophobicContact CG-CZ 4.39Å; M1838-F1845 HydrophobicContact SD-CE1 4.12Å; M1838-F1845 HydrophobicContact SD-CZ 3.87Å; S1839-F1845 WeakPolarHBondContact O-CE2 3.46Å; S1839-F1845 WeakPolarHBondContact O-CZ 3.46Å; N1842-F1845 HydrophobicContact CB-CD1 4.37Å; N1842-F1845 HydrophobicContact CB-CE1 3.45Å; N1842-F1845 VanDerWaalsContact CB-CE1 3.45Å; N1842-F1845 HydrophobicContact CB-CZ 3.64Å; F1845-I1847 HydrophobicContact CD2-CD1 4.23Å; F1845-I1847 HydrophobicContact CD2-CG1 4.18Å; F1845-I1847 HydrophobicContact CE2-CD1 3.95Å; F1845-I1847 HydrophobicContact CE2-CG1 4.39Å; F1845-L1856 HydrophobicContact CB-CD1 4.01Å; F1845-L1856 HydrophobicContact CD2-CD1 4.04Å; F1845-L1856 HydrophobicContact CG-CD1 4.33Å; F1845-T1857 CarbonylContact C-O 3.54Å; F1845-T1857 VanDerWaalsContact CA-O 3.29Å; F1845-T1857 WeakPolarHBondContact CA-O 3.46Å; F1845-T1857 WeakPolarHBondContact CB-O 3.44Å; F1845-L1858 HydrophobicContact CB-CD2 3.59Å | ||
| 1846 | Q | 62.4 | Low | 61.9 | Low | 127 Ų | 127 | 75.1 Ų | 75.1 | 59% | 0.593 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127 | 179.7 | -62.4 | -178 | -4.3 | 0 | 0 | 110.9 | L1856 T1857 | Q1846-L1856 CarbonylContact O-C 3.44Å; Q1846-L1856 WeakPolarHBondContact O-CA 3.31Å; Q1846-T1857 PolarHBondContact N-O 3.45Å; Q1846-T1857 PolarHBondContact O-N 2.9Å |
| 1847 | I | 69 | Low | 63.3 | Low | 45 Ų | 45 | 71.7 Ų | 71.7 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.5 | 176.3 | -61.6 | 170.3 | 0 | 0 | 0 | 108.9 | F1829 W1831 M1838 F1845 K1855 L1856 | F1829-I1847 HydrophobicContact CE2-CG2 3.68Å; F1829-I1847 HydrophobicContact CZ-CG2 3.86Å; W1831-I1847 HydrophobicContact CB-CD1 4.4Å; M1838-I1847 HydrophobicContact CB-CD1 4.24Å; M1838-I1847 WeakPolarHBondContact O-CD1 3.42Å; F1845-I1847 HydrophobicContact CD2-CD1 4.23Å; F1845-I1847 HydrophobicContact CD2-CG1 4.18Å; F1845-I1847 HydrophobicContact CE2-CD1 3.95Å; F1845-I1847 HydrophobicContact CE2-CG1 4.39Å; I1847-K1855 CarbonylContact C-O 3.52Å; I1847-K1855 WeakPolarHBondContact CA-O 3.43Å; I1847-L1856 HydrophobicContact CG1-CD1 3.89Å |
| 1848 | S | 69.1 | Low | 64.6 | Low | 55 Ų | 55 | 67.8 Ų | 67.8 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155.4 | -177 | 59.3 | 0 | 0 | 0 | 0 | 112.6 | K1855 | S1848-K1855 PolarHBondContact N-O 3.38Å; S1848-K1855 PolarHBondContact O-N 2.99Å; S1848-K1855 WeakPolarHBondContact OG-CB 3.5Å; S1848-K1855 PolarHBondContact OG-O 3.3Å |
| 1849 | Q | 65.6 | Low | 65.2 | Low | 105 Ų | 105 | 69.4 Ų | 69.4 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.3 | 179.4 | 179.9 | -175.9 | 10.2 | 0 | 0 | 110.4 | F1829 M1853 Y1854 | F1829-Q1849 HydrophobicContact CE1-CB 3.8Å; F1829-Q1849 HydrophobicContact CE1-CG 4.12Å; F1829-Q1849 HydrophobicContact CZ-CB 4.02Å; Q1849-M1853 CarbonylContact C-O 3.57Å; Q1849-M1853 WeakPolarHBondContact CA-O 3.44Å; Q1849-Y1854 HydrophobicContact CB-CD1 4.31Å; Q1849-Y1854 HydrophobicContact CG-CD1 3.83Å; Q1849-Y1854 HydrophobicContact CG-CE1 3.88Å |
| 1850 | S | 58.8 | Low | 66.2 | Low | 79 Ų | 79 | 71.2 Ų | 71.2 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 123.7 | 166.1 | 61.2 | 0 | 0 | 0 | 0 | 112.2 | G1852 M1853 | S1850-G1852 VanDerWaalsContact C-N 3.28Å; S1850-G1852 PolarHBondContact O-N 3.49Å; S1850-G1852 VanDerWaalsContact O-N 3.1Å; S1850-M1853 PolarHBondContact N-O 3.01Å; S1850-M1853 VanDerWaalsContact O-CB 3.27Å; S1850-M1853 WeakPolarHBondContact O-CB 3.13Å; S1850-M1853 PolarHBondContact O-N 2.87Å |
| 1851 | K | 65.7 | Low | 67.5 | Low | 213 Ų | 213 | 66.2 Ų | 66.2 | 93% | 0.926 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 43.2 | 174.6 | -60.1 | -175.7 | 177.5 | -178.7 | 0 | 115.1 | M1853 | K1851-M1853 VanDerWaalsContact C-N 3.34Š|
| 1852 | G | 68.8 | Low | 69.2 | Low | 2 Ų | 2 | 63.1 Ų | 63.1 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -7.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1820 V1821 S1850 | K1820-G1852 WeakPolarHBondContact CA-O 3.43Å; V1821-G1852 PolarHBondContact N-O 3.2Å; V1821-G1852 WeakPolarHBondContact O-CA 3.32Å; S1850-G1852 VanDerWaalsContact C-N 3.28Å; S1850-G1852 PolarHBondContact O-N 3.49Å; S1850-G1852 VanDerWaalsContact O-N 3.1Å |
| 1853 | M | 79.7 | Confident | 70.5 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123.9 | 165.4 | -170.4 | 67.3 | 72.8 | 0 | 0 | 109.6 | K1818 C1819 K1820 Q1849 S1850 K1851 | K1818-M1853 HydrophobicContact CB-SD 4.31Å; C1819-M1853 VanDerWaalsContact C-SD 3.52Å; K1820-M1853 HydrophobicContact CB-CE 3.8Å; K1820-M1853 HydrophobicContact CB-SD 3.96Å; K1820-M1853 HydrophobicContact CD-CE 4.27Å; K1820-M1853 HydrophobicContact CG-CE 4.35Å; Q1849-M1853 CarbonylContact C-O 3.57Å; Q1849-M1853 WeakPolarHBondContact CA-O 3.44Å; S1850-M1853 PolarHBondContact N-O 3.01Å; S1850-M1853 VanDerWaalsContact O-CB 3.27Å; S1850-M1853 WeakPolarHBondContact O-CB 3.13Å; S1850-M1853 PolarHBondContact O-N 2.87Å; K1851-M1853 VanDerWaalsContact C-N 3.34Å |
| 1854 | Y | 82.4 | Confident | 71.8 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.8 | 169 | -48.9 | -59.6 | 0 | 0 | 0 | 109 | K1818 C1819 V1821 P1827 F1829 Q1849 L1871 S1873 | K1818-Y1854 CarbonylContact C-O 3.56Å; K1818-Y1854 WeakPolarHBondContact CA-O 3.45Å; C1819-Y1854 PolarHBondContact N-O 3.01Å; C1819-Y1854 PolarHBondContact O-N 3.13Å; V1821-Y1854 HydrophobicContact CB-CD2 4.18Å; V1821-Y1854 HydrophobicContact CB-CE2 3.53Å; V1821-Y1854 HydrophobicContact CG1-CE2 4.21Å; V1821-Y1854 HydrophobicContact CG2-CD2 3.78Å; V1821-Y1854 HydrophobicContact CG2-CE2 3.52Å; P1827-Y1854 VanDerWaalsContact C-OH 3.26Å; P1827-Y1854 PolarHBondContact O-OH 3.24Å; F1829-Y1854 HydrophobicContact CB-CD1 3.84Å; F1829-Y1854 HydrophobicContact CB-CD2 4.02Å; F1829-Y1854 HydrophobicContact CB-CE1 3.68Å; F1829-Y1854 HydrophobicContact CB-CE2 3.83Å; F1829-Y1854 HydrophobicContact CB-CG 4.02Å; F1829-Y1854 AromaticContact CD1-CD1 3.3Å; F1829-Y1854 HydrophobicContact CD1-CD1 3.3Å; F1829-Y1854 AromaticContact CD1-CE1 3.28Å; F1829-Y1854 HydrophobicContact CD1-CE1 3.28Å; F1829-Y1854 HydrophobicContact CD1-CG 4.2Å; F1829-Y1854 AromaticContact CD2-CD1 3.61Å; F1829-Y1854 HydrophobicContact CD2-CD1 3.61Å; F1829-Y1854 HydrophobicContact CD2-CD2 4.42Å; F1829-Y1854 HydrophobicContact CD2-CE1 4.28Å; F1829-Y1854 AromaticContact CD2-CG 3.71Å; F1829-Y1854 HydrophobicContact CD2-CG 3.71Å; F1829-Y1854 AromaticContact CE1-CD1 3.68Å; F1829-Y1854 HydrophobicContact CE1-CD1 3.68Å; F1829-Y1854 AromaticContact CE1-CE1 3.97Å; F1829-Y1854 HydrophobicContact CE1-CE1 3.97Å; F1829-Y1854 AromaticContact CE2-CD1 3.94Å; F1829-Y1854 HydrophobicContact CE2-CD1 3.94Å; F1829-Y1854 HydrophobicContact CE2-CG 4.21Å; F1829-Y1854 AromaticContact CG-CD1 3.27Å; F1829-Y1854 HydrophobicContact CG-CD1 3.27Å; F1829-Y1854 HydrophobicContact CG-CD2 4.22Å; F1829-Y1854 AromaticContact CG-CE1 3.47Å; F1829-Y1854 HydrophobicContact CG-CE1 3.47Å; F1829-Y1854 VanDerWaalsContact CG-CE1 3.47Å; F1829-Y1854 HydrophobicContact CG-CE2 4.35Å; F1829-Y1854 AromaticContact CG-CG 3.7Å; F1829-Y1854 HydrophobicContact CG-CG 3.7Å; F1829-Y1854 AromaticContact CZ-CD1 3.97Å; F1829-Y1854 HydrophobicContact CZ-CD1 3.97Å; Q1849-Y1854 HydrophobicContact CB-CD1 4.31Å; Q1849-Y1854 HydrophobicContact CG-CD1 3.83Å; Q1849-Y1854 HydrophobicContact CG-CE1 3.88Å; Y1854-L1871 HydrophobicContact CD2-CD1 4.14Å; Y1854-L1871 HydrophobicContact CD2-CD2 4.2Å; Y1854-L1871 HydrophobicContact CG-CD1 4.38Å; Y1854-S1873 PolarHBondContact OH-OG 2.97Å |
| 1855 | K | 80 | Confident | 72.9 | Confident | 58 Ų | 58 | 60.3 Ų | 60.3 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 128.9 | -176 | 164.1 | 175.7 | 174.5 | 157.4 | 0 | 111.3 | E1816 K1818 I1847 S1848 T1857 | E1816-K1855 HydrophobicContact CG-CD 4.23Å; E1816-K1855 HydrophobicContact CG-CG 4.3Å; E1816-K1855 WeakPolarHBondContact OE1-CD 3.46Å; E1816-K1855 VanDerWaalsContact OE1-CE 3.25Å; E1816-K1855 WeakPolarHBondContact OE1-CE 3.44Å; E1816-K1855 IonicContact OE1-NZ 2.72Å; E1816-K1855 PolarHBondContact OE1-NZ 2.97Å; E1816-K1855 WeakPolarHBondContact OE2-CE 3.4Å; E1816-K1855 IonicContact OE2-NZ 3.15Å; E1816-K1855 PolarHBondContact OE2-NZ 3.5Å; K1818-K1855 HydrophobicContact CB-CB 4.3Å; I1847-K1855 CarbonylContact C-O 3.52Å; I1847-K1855 WeakPolarHBondContact CA-O 3.43Å; S1848-K1855 PolarHBondContact N-O 3.38Å; S1848-K1855 PolarHBondContact O-N 2.99Å; S1848-K1855 WeakPolarHBondContact OG-CB 3.5Å; S1848-K1855 PolarHBondContact OG-O 3.3Å; K1855-T1857 WeakPolarHBondContact CE-OG1 3.49Å |
| 1856 | L | 83.7 | Confident | 73.7 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 136.1 | 166.9 | 167.1 | 67.5 | 0 | 0 | 0 | 108.6 | L1817 W1831 F1845 Q1846 I1847 L1858 W1869 | L1817-L1856 HydrophobicContact CB-CB 4.41Å; L1817-L1856 HydrophobicContact CD1-CD2 4.19Å; L1817-L1856 PolarHBondContact N-O 3.43Å; L1817-L1856 PolarHBondContact O-N 3.36Å; W1831-L1856 HydrophobicContact CD2-CB 4.04Å; W1831-L1856 HydrophobicContact CD2-CD2 3.95Å; W1831-L1856 HydrophobicContact CE3-CB 4.41Å; W1831-L1856 HydrophobicContact CE3-CD2 3.7Å; W1831-L1856 HydrophobicContact CH2-CB 3.8Å; W1831-L1856 HydrophobicContact CH2-CD2 4.11Å; W1831-L1856 HydrophobicContact CZ2-CB 3.42Å; W1831-L1856 VanDerWaalsContact CZ2-CB 3.42Å; W1831-L1856 HydrophobicContact CZ2-CD2 4.39Å; W1831-L1856 HydrophobicContact CZ3-CB 4.3Å; W1831-L1856 HydrophobicContact CZ3-CD2 3.79Å; F1845-L1856 HydrophobicContact CB-CD1 4.01Å; F1845-L1856 HydrophobicContact CD2-CD1 4.04Å; F1845-L1856 HydrophobicContact CG-CD1 4.33Å; Q1846-L1856 CarbonylContact O-C 3.44Å; Q1846-L1856 WeakPolarHBondContact O-CA 3.31Å; I1847-L1856 HydrophobicContact CG1-CD1 3.89Å; L1856-L1858 HydrophobicContact CD1-CD2 4.02Å; L1856-L1858 HydrophobicContact CD2-CD2 4.43Å; L1856-L1858 HydrophobicContact CG-CD2 4.2Å; L1856-W1869 HydrophobicContact CD1-CZ3 4.21Å; L1856-W1869 HydrophobicContact CD2-CD2 4.04Å; L1856-W1869 HydrophobicContact CD2-CE3 3.31Å; L1856-W1869 HydrophobicContact CD2-CH2 4.26Å; L1856-W1869 HydrophobicContact CD2-CZ3 3.44Å; L1856-W1869 VanDerWaalsContact CD2-CZ3 3.44Å; L1856-W1869 HydrophobicContact CG-CZ3 4.43Å |
| 1857 | T | 82 | Confident | 74.2 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 11% | 0.11 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.5 | 178.4 | -39.3 | 0 | 0 | 0 | 0 | 109.4 | V1814 V1815 F1845 Q1846 K1855 | V1814-T1857 HydrophobicContact CG1-CG2 4.39Å; V1815-T1857 CarbonylContact O-C 3.54Å; V1815-T1857 WeakPolarHBondContact O-CA 3.39Å; F1845-T1857 CarbonylContact C-O 3.54Å; F1845-T1857 VanDerWaalsContact CA-O 3.29Å; F1845-T1857 WeakPolarHBondContact CA-O 3.46Å; F1845-T1857 WeakPolarHBondContact CB-O 3.44Å; Q1846-T1857 PolarHBondContact N-O 3.45Å; Q1846-T1857 PolarHBondContact O-N 2.9Å; K1855-T1857 WeakPolarHBondContact CE-OG1 3.49Å |
| 1858 | L | 83.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 102.2 | 174 | -48.5 | -178.5 | 0 | 0 | 0 | 107 | V1814 V1815 F1845 L1856 D1860 V1861 H1865 W1869 L1886 | V1814-L1858 WeakPolarHBondContact CA-O 3.41Å; V1815-L1858 HydrophobicContact CB-CB 4.19Å; V1815-L1858 HydrophobicContact CB-CD1 4.25Å; V1815-L1858 HydrophobicContact CB-CG 4.39Å; V1815-L1858 HydrophobicContact CG1-CD1 4.04Å; V1815-L1858 HydrophobicContact CG1-CG 4.3Å; V1815-L1858 PolarHBondContact N-O 3.06Å; V1815-L1858 PolarHBondContact O-N 3.02Å; F1845-L1858 HydrophobicContact CB-CD2 3.59Å; L1856-L1858 HydrophobicContact CD1-CD2 4.02Å; L1856-L1858 HydrophobicContact CD2-CD2 4.43Å; L1856-L1858 HydrophobicContact CG-CD2 4.2Å; L1858-D1860 VanDerWaalsContact C-N 3.31Å; L1858-D1860 PolarHBondContact O-N 3.05Å; L1858-V1861 HydrophobicContact CB-CG2 3.86Å; L1858-V1861 HydrophobicContact CD1-CG2 4.18Å; L1858-H1865 HydrophobicContact CD1-CB 4.31Å; L1858-W1869 HydrophobicContact CD1-CH2 4.42Å; L1858-W1869 HydrophobicContact CD1-CZ2 3.85Å; L1858-W1869 HydrophobicContact CD2-CH2 3.61Å; L1858-W1869 HydrophobicContact CD2-CZ2 3.88Å; L1858-W1869 HydrophobicContact CD2-CZ3 4.34Å; L1858-L1886 HydrophobicContact CD1-CD2 3.7Å |
| 1859 | P | 73.9 | Confident | 75.3 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -70.8 | -24.6 | -172.5 | -21 | 34.7 | 0 | 0 | 0 | 114.4 | V1814 N1844 | V1814-P1859 WeakPolarHBondContact CG2-O 3.41Å; N1844-P1859 VanDerWaalsContact O-CD 3.25Å; N1844-P1859 WeakPolarHBondContact O-CD 3.44Å |
| 1860 | D | 73.1 | Confident | 75.7 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -143.4 | 103.2 | 179.4 | -175.3 | -4.1 | 0 | 0 | 0 | 107.7 | G1812 L1858 T1862 H1865 | G1812-D1860 WeakPolarHBondContact CA-OD1 3.5Å; L1858-D1860 VanDerWaalsContact C-N 3.31Å; L1858-D1860 PolarHBondContact O-N 3.05Å; D1860-T1862 PolarHBondContact O-N 3.46Å; D1860-H1865 PolarHBondContact O-CE1 3.3Å; D1860-H1865 PolarHBondContact O-ND1 3.38Å |
| 1861 | V | 74.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -80.3 | 113 | -178.4 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | V1809 A1811 G1812 Q1813 V1815 L1858 H1865 L1886 V1888 | V1809-V1861 HydrophobicContact CG2-CG1 3.88Å; A1811-V1861 CarbonylContact C-O 3.57Å; A1811-V1861 VanDerWaalsContact CA-O 3.24Å; A1811-V1861 WeakPolarHBondContact CA-O 3.34Å; G1812-V1861 PolarHBondContact N-O 3.42Å; Q1813-V1861 VanDerWaalsContact O-CB 3.26Å; Q1813-V1861 WeakPolarHBondContact O-CB 3.26Å; Q1813-V1861 VanDerWaalsContact O-CG2 3.22Å; Q1813-V1861 WeakPolarHBondContact O-CG2 3.41Å; Q1813-V1861 PolarHBondContact O-N 2.82Å; V1815-V1861 HydrophobicContact CB-CG2 3.76Å; V1815-V1861 HydrophobicContact CG2-CG2 3.68Å; L1858-V1861 HydrophobicContact CB-CG2 3.86Å; L1858-V1861 HydrophobicContact CD1-CG2 4.18Å; V1861-H1865 HydrophobicContact CG1-CB 4.44Å; V1861-L1886 HydrophobicContact CG1-CD2 4.27Å; V1861-V1888 HydrophobicContact CG1-CB 4.23Å; V1861-V1888 HydrophobicContact CG1-CG1 3.78Å; V1861-V1888 HydrophobicContact CG1-CG2 3.37Å | ||
| 1862 | T | 76.5 | Confident | 77.3 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 27% | 0.27 | 20% | 0.195 | S | C | . | . | trans | -103.8 | 166.9 | 173.4 | 72.5 | 0 | 0 | 0 | 0 | 110.6 | D1860 Q1864 H1865 | D1860-T1862 PolarHBondContact O-N 3.46Å; T1862-Q1864 PolarHBondContact O-N 3.04Å; T1862-Q1864 PolarHBondContact OG1-N 2.87Å; T1862-H1865 PolarHBondContact N-ND1 2.89Å; T1862-H1865 WeakPolarHBondContact O-CB 3.35Å; T1862-H1865 PolarHBondContact O-N 3.42Å | ||
| 1863 | K | 71.5 | Confident | 77.7 | Confident | 127 Ų | 127 | 37 Ų | 37 | 55% | 0.552 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -54.9 | -26.3 | 174.9 | -151.2 | 172 | -165 | 165.7 | 0 | 113.4 | H1865 S1866 E1890 | K1863-H1865 VanDerWaalsContact C-N 3.32Å; K1863-S1866 WeakPolarHBondContact O-CB 3.2Å; K1863-S1866 PolarHBondContact O-N 2.88Å; K1863-E1890 WeakPolarHBondContact CE-OE2 3.49Å; K1863-E1890 IonicContact NZ-OE1 3.52Å; K1863-E1890 IonicContact NZ-OE2 3.27Å; K1863-E1890 PolarHBondContact NZ-OE2 2.91Å |
| 1864 | Q | 67.3 | Low | 77.3 | Confident | 152 Ų | 152 | 37.2 Ų | 37.2 | 71% | 0.71 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -72.6 | -21.1 | 175.4 | -60.3 | 179.4 | -9.5 | 0 | 0 | 113.6 | K1833 T1862 S1866 | K1833-Q1864 WeakPolarHBondContact CE-O 3.2Å; K1833-Q1864 PolarHBondContact NZ-O 3.2Å; K1833-Q1864 VanDerWaalsContact NZ-O 3.12Å; T1862-Q1864 PolarHBondContact O-N 3.04Å; T1862-Q1864 PolarHBondContact OG1-N 2.87Å; Q1864-S1866 VanDerWaalsContact C-N 3.32Å |
| 1865 | H | 80.3 | Confident | 76.7 | Confident | 15 Ų | 15 | 37.9 Ų | 37.9 | 7% | 0.069 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -81.7 | -14 | 177.5 | -59.8 | 163 | 0 | 0 | 0 | 112.3 | K1833 L1858 D1860 V1861 T1862 K1863 W1869 L1886 | K1833-H1865 WeakPolarHBondContact CE-O 3.32Å; L1858-H1865 HydrophobicContact CD1-CB 4.31Å; D1860-H1865 PolarHBondContact O-CE1 3.3Å; D1860-H1865 PolarHBondContact O-ND1 3.38Å; V1861-H1865 HydrophobicContact CG1-CB 4.44Å; T1862-H1865 PolarHBondContact N-ND1 2.89Å; T1862-H1865 WeakPolarHBondContact O-CB 3.35Å; T1862-H1865 PolarHBondContact O-N 3.42Å; K1863-H1865 VanDerWaalsContact C-N 3.32Å; H1865-W1869 PolarHBondContact O-NE1 2.76Å; H1865-L1886 HydrophobicContact CB-CD2 4.31Å; H1865-L1886 WeakPolarHBondContact O-CD2 3.37Å |
| 1866 | S | 79.5 | Confident | 75.7 | Confident | 41 Ų | 41 | 37.1 Ų | 37.1 | 29% | 0.287 | 20% | 0.198 | S | C | . | . | trans | -59.7 | 145.4 | 168.5 | -164 | 0 | 0 | 0 | 0 | 111 | K1833 K1863 Q1864 L1886 | K1833-S1866 WeakPolarHBondContact CE-O 3.3Å; K1833-S1866 PolarHBondContact NZ-O 3.39Å; K1863-S1866 WeakPolarHBondContact O-CB 3.2Å; K1863-S1866 PolarHBondContact O-N 2.88Å; Q1864-S1866 VanDerWaalsContact C-N 3.32Å; S1866-L1886 WeakPolarHBondContact CA-O 3.4Å; S1866-L1886 WeakPolarHBondContact CB-O 3.42Å; S1866-L1886 PolarHBondContact OG-O 3.01Å | ||
| 1867 | G | 73.5 | Confident | 74.9 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 14% | 0.144 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.3 | -177.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1834 Q1885 L1886 | D1834-G1867 WeakPolarHBondContact OD1-CA 3.23Å; G1867-Q1885 WeakPolarHBondContact O-CA 3.44Å; G1867-L1886 PolarHBondContact N-O 3.16Å; G1867-L1886 VanDerWaalsContact N-O 3.12Å; G1867-L1886 PolarHBondContact O-N 2.85Å |
| 1868 | I | 76.6 | Confident | 73.6 | Confident | 70 Ų | 70 | 39 Ų | 39 | 36% | 0.359 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 124 | 176.5 | -59.4 | 174.1 | 0 | 0 | 0 | 109.1 | K1833 D1834 Q1885 | K1833-I1868 CarbonylContact C-O 3.47Å; K1833-I1868 WeakPolarHBondContact CA-O 3.48Å; D1834-I1868 PolarHBondContact N-O 2.92Å; D1834-I1868 PolarHBondContact OD1-N 2.88Å; I1868-Q1885 HydrophobicContact CG1-CB 4.44Å; I1868-Q1885 HydrophobicContact CG1-CG 4.07Å |
| 1869 | W | 84.1 | Confident | 72.9 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.2 | 176.8 | -69.1 | 83.5 | 0 | 0 | 0 | 110.3 | L1817 W1831 L1832 K1833 M1838 L1856 L1858 H1865 S1883 C1884 | L1817-W1869 HydrophobicContact CD1-CB 4.15Å; L1817-W1869 HydrophobicContact CD1-CG 4.32Å; W1831-W1869 HydrophobicContact CZ3-CB 4.45Å; L1832-W1869 WeakPolarHBondContact O-CA 3.42Å; K1833-W1869 HydrophobicContact CB-CD2 4.14Å; K1833-W1869 HydrophobicContact CB-CE3 3.95Å; K1833-W1869 HydrophobicContact CB-CH2 4.41Å; K1833-W1869 HydrophobicContact CB-CZ3 4.11Å; K1833-W1869 HydrophobicContact CD-CH2 4.04Å; K1833-W1869 HydrophobicContact CD-CZ2 3.65Å; K1833-W1869 HydrophobicContact CG-CD2 4.02Å; K1833-W1869 HydrophobicContact CG-CE3 4.31Å; K1833-W1869 HydrophobicContact CG-CH2 4.41Å; K1833-W1869 HydrophobicContact CG-CZ2 4.06Å; M1838-W1869 HydrophobicContact CE-CE3 4.49Å; M1838-W1869 HydrophobicContact CE-CH2 3.34Å; M1838-W1869 HydrophobicContact CE-CZ2 4.36Å; M1838-W1869 HydrophobicContact CE-CZ3 3.41Å; M1838-W1869 VanDerWaalsContact CE-CZ3 3.41Å; M1838-W1869 HydrophobicContact CG-CZ3 4.09Å; L1856-W1869 HydrophobicContact CD1-CZ3 4.21Å; L1856-W1869 HydrophobicContact CD2-CD2 4.04Å; L1856-W1869 HydrophobicContact CD2-CE3 3.31Å; L1856-W1869 HydrophobicContact CD2-CH2 4.26Å; L1856-W1869 HydrophobicContact CD2-CZ3 3.44Å; L1856-W1869 VanDerWaalsContact CD2-CZ3 3.44Å; L1856-W1869 HydrophobicContact CG-CZ3 4.43Å; L1858-W1869 HydrophobicContact CD1-CH2 4.42Å; L1858-W1869 HydrophobicContact CD1-CZ2 3.85Å; L1858-W1869 HydrophobicContact CD2-CH2 3.61Å; L1858-W1869 HydrophobicContact CD2-CZ2 3.88Å; L1858-W1869 HydrophobicContact CD2-CZ3 4.34Å; H1865-W1869 PolarHBondContact O-NE1 2.76Å; W1869-S1883 CarbonylContact O-C 3.56Å; W1869-S1883 WeakPolarHBondContact O-CA 3.46Å; W1869-C1884 PolarHBondContact N-O 3.45Å; W1869-C1884 PolarHBondContact O-N 3.48Å |
| 1870 | D | 75.5 | Confident | 72.5 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.3 | -180 | -57.8 | -49.2 | 0 | 0 | 0 | 111.1 | W1831 L1832 I1872 I1881 S1883 | W1831-D1870 CarbonylContact C-O 3.51Å; W1831-D1870 VanDerWaalsContact CA-O 3.3Å; W1831-D1870 WeakPolarHBondContact CA-O 3.42Å; L1832-D1870 HydrophobicContact CB-CB 4.15Å; L1832-D1870 PolarHBondContact N-O 3.37Å; L1832-D1870 PolarHBondContact O-N 3.24Å; D1870-I1872 HydrophobicContact CB-CG1 4.46Å; D1870-I1881 HydrophobicContact CB-CG2 4.22Å; D1870-S1883 WeakPolarHBondContact OD1-CB 3.35Å; D1870-S1883 PolarHBondContact OD1-OG 3.41Å |
| 1871 | L | 83.7 | Confident | 72.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 113.9 | 161.6 | 171.5 | 62.3 | 0 | 0 | 0 | 108.4 | F1798 F1803 C1819 F1829 W1831 Y1854 I1881 K1882 | F1798-L1871 HydrophobicContact CE1-CD2 4.37Å; F1803-L1871 HydrophobicContact CE2-CB 4.23Å; F1803-L1871 HydrophobicContact CE2-CD2 4.39Å; F1803-L1871 HydrophobicContact CZ-CB 4.42Å; C1819-L1871 HydrophobicContact CB-CD2 3.62Å; F1829-L1871 HydrophobicContact CB-CD1 4.2Å; F1829-L1871 HydrophobicContact CD2-CD1 3.86Å; W1831-L1871 HydrophobicContact CD2-CB 4.33Å; W1831-L1871 HydrophobicContact CD2-CD1 4.34Å; W1831-L1871 HydrophobicContact CE3-CB 4.1Å; W1831-L1871 HydrophobicContact CH2-CB 4.13Å; W1831-L1871 HydrophobicContact CZ2-CB 4.29Å; W1831-L1871 HydrophobicContact CZ2-CD1 4.24Å; W1831-L1871 HydrophobicContact CZ2-CD2 4.49Å; W1831-L1871 HydrophobicContact CZ3-CB 4.01Å; Y1854-L1871 HydrophobicContact CD2-CD1 4.14Å; Y1854-L1871 HydrophobicContact CD2-CD2 4.2Å; Y1854-L1871 HydrophobicContact CG-CD1 4.38Å; L1871-I1881 CarbonylContact O-C 3.53Å; L1871-I1881 WeakPolarHBondContact O-CA 3.4Å; L1871-K1882 PolarHBondContact N-O 3.29Å; L1871-K1882 PolarHBondContact O-N 3.07Å |
| 1872 | I | 72.8 | Confident | 72.5 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.4 | 172.9 | -56.2 | -166.8 | 0 | 0 | 0 | 108.9 | F1829 F1830 L1832 D1870 L1879 I1881 | F1829-I1872 CarbonylContact C-O 3.55Å; F1829-I1872 WeakPolarHBondContact CA-O 3.31Å; F1830-I1872 HydrophobicContact CD1-CB 4.31Å; F1830-I1872 HydrophobicContact CD1-CG2 4.5Å; F1830-I1872 HydrophobicContact CD2-CB 4.31Å; F1830-I1872 HydrophobicContact CE1-CB 3.84Å; F1830-I1872 HydrophobicContact CE1-CG2 3.66Å; F1830-I1872 HydrophobicContact CE2-CB 3.85Å; F1830-I1872 HydrophobicContact CE2-CD1 3.77Å; F1830-I1872 HydrophobicContact CE2-CG1 4.07Å; F1830-I1872 HydrophobicContact CE2-CG2 4.31Å; F1830-I1872 HydrophobicContact CZ-CB 3.6Å; F1830-I1872 HydrophobicContact CZ-CD1 3.8Å; F1830-I1872 HydrophobicContact CZ-CG1 4.15Å; F1830-I1872 HydrophobicContact CZ-CG2 3.56Å; F1830-I1872 PolarHBondContact N-O 2.77Å; F1830-I1872 PolarHBondContact O-N 2.91Å; L1832-I1872 HydrophobicContact CD1-CD1 3.8Å; L1832-I1872 HydrophobicContact CG-CD1 4.32Å; D1870-I1872 HydrophobicContact CB-CG1 4.46Å; I1872-L1879 HydrophobicContact CG2-CD1 3.82Å; I1872-L1879 HydrophobicContact CG2-CD2 4.41Å; I1872-L1879 HydrophobicContact CG2-CG 4.1Å; I1872-I1881 HydrophobicContact CD1-CD1 4.22Å; I1872-I1881 HydrophobicContact CD1-CG1 4.38Å; I1872-I1881 HydrophobicContact CG1-CD1 4.48Å; I1872-I1881 HydrophobicContact CG1-CG1 4.12Å; I1872-I1881 HydrophobicContact CG1-CG2 4.25Å; I1872-I1881 HydrophobicContact CG2-CG1 4.47Å |
| 1873 | S | 77.4 | Confident | 72.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.7 | 178.2 | -176 | 0 | 0 | 0 | 0 | 112 | P1827 S1828 Y1854 L1879 I1880 | P1827-S1873 VanDerWaalsContact CB-OG 3.27Å; P1827-S1873 WeakPolarHBondContact CB-OG 3.48Å; S1828-S1873 CarbonylContact O-C 3.59Å; S1828-S1873 WeakPolarHBondContact O-CA 3.3Å; S1828-S1873 WeakPolarHBondContact O-CB 3.17Å; S1828-S1873 PolarHBondContact O-OG 2.88Å; Y1854-S1873 PolarHBondContact OH-OG 2.97Å; S1873-L1879 CarbonylContact O-C 3.54Å; S1873-L1879 WeakPolarHBondContact O-CA 3.47Å; S1873-I1880 PolarHBondContact N-O 3.2Å; S1873-I1880 PolarHBondContact O-N 3.37Å |
| 1874 | Y | 72 | Confident | 72.9 | Confident | 54 Ų | 54 | 35.3 Ų | 35.3 | 21% | 0.212 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 151.8 | -168.4 | 67.7 | -86.5 | 0 | 0 | 0 | 113.4 | Y1680 P1827 S1828 F1830 G1878 | Y1680-Y1874 HydrophobicContact CE1-CE1 4.48Å; P1827-Y1874 CarbonylContact C-O 3.5Å; P1827-Y1874 VanDerWaalsContact CA-O 3.29Å; P1827-Y1874 WeakPolarHBondContact CA-O 3.33Å; P1827-Y1874 WeakPolarHBondContact CB-O 3.41Å; S1828-Y1874 VanDerWaalsContact CB-CZ 3.42Å; S1828-Y1874 PolarHBondContact N-O 2.89Å; S1828-Y1874 PolarHBondContact O-N 2.82Å; F1830-Y1874 HydrophobicContact CD1-CE1 4.16Å; F1830-Y1874 HydrophobicContact CE1-CD1 4.24Å; F1830-Y1874 HydrophobicContact CE1-CE1 4.13Å; Y1874-G1878 WeakPolarHBondContact CA-O 3.49Å |
| 1875 | N | 69.7 | Low | 73.6 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | -175.5 | 164.8 | 74.7 | 7.7 | 0 | 0 | 0 | 110.1 | T1794 P1796 P1825 P1827 Q1877 G1878 | T1794-N1875 PolarHBondContact O-ND2 3.42Å; P1796-N1875 WeakPolarHBondContact CD-OD1 3.48Å; P1796-N1875 HydrophobicContact CG-CB 4.35Å; P1825-N1875 PolarHBondContact O-ND2 2.91Å; P1827-N1875 HydrophobicContact CB-CB 4.44Å; P1827-N1875 HydrophobicContact CG-CB 4.33Å; N1875-Q1877 PolarHBondContact O-N 3.05Å; N1875-Q1877 WeakPolarHBondContact OD1-CA 3.4Å; N1875-Q1877 WeakPolarHBondContact OD1-CB 3.49Å; N1875-Q1877 PolarHBondContact OD1-N 2.72Å; N1875-G1878 PolarHBondContact N-O 2.86Å; N1875-G1878 PolarHBondContact O-N 3.24Å; N1875-G1878 VanDerWaalsContact O-O 3.1Å; N1875-G1878 PolarHBondContact OD1-N 2.85Å |
| 1876 | S | 59.4 | Low | 73.7 | Confident | 42 Ų | 42 | 31.5 Ų | 31.5 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 0.5 | -179.4 | 58.7 | 0 | 0 | 0 | 0 | 115.4 | P1825 | P1825-S1876 WeakPolarHBondContact CD-OG 3.47Š|
| 1877 | Q | 66.5 | Low | 73.5 | Confident | 47 Ų | 47 | 33 Ų | 33 | 22% | 0.22 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -20.1 | 179.6 | -57.9 | -64.3 | -86.6 | 0 | 0 | 113 | R1694 K1793 A1795 N1875 | R1694-Q1877 PolarHBondContact NH1-O 3.5Å; K1793-Q1877 HydrophobicContact CB-CG 3.75Å; K1793-Q1877 VanDerWaalsContact CB-OE1 3.28Å; A1795-Q1877 HydrophobicContact CB-CB 4.24Å; N1875-Q1877 PolarHBondContact O-N 3.05Å; N1875-Q1877 WeakPolarHBondContact OD1-CA 3.4Å; N1875-Q1877 WeakPolarHBondContact OD1-CB 3.49Å; N1875-Q1877 PolarHBondContact OD1-N 2.72Å |
| 1878 | G | 55.5 | Low | 73.8 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 11% | 0.113 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | -178.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1796 Y1874 N1875 | P1796-G1878 VanDerWaalsContact CD-C 3.47Å; P1796-G1878 VanDerWaalsContact CD-O 3.26Å; P1796-G1878 WeakPolarHBondContact CD-O 3.42Å; P1796-G1878 VanDerWaalsContact CG-O 3.3Å; P1796-G1878 WeakPolarHBondContact CG-O 3.33Å; Y1874-G1878 WeakPolarHBondContact CA-O 3.49Å; N1875-G1878 PolarHBondContact N-O 2.86Å; N1875-G1878 PolarHBondContact O-N 3.24Å; N1875-G1878 VanDerWaalsContact O-O 3.1Å; N1875-G1878 PolarHBondContact OD1-N 2.85Å |
| 1879 | L | 67.3 | Low | 72.9 | Confident | 51 Ų | 51 | 31.6 Ų | 31.6 | 27% | 0.267 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.3 | 178.1 | 172.5 | 149.6 | 0 | 0 | 0 | 108.8 | F1696 F1740 I1872 S1873 I1881 | F1696-L1879 HydrophobicContact CZ-CB 4.49Å; F1740-L1879 HydrophobicContact CE1-CD1 4.3Å; F1740-L1879 HydrophobicContact CZ-CD1 3.82Å; F1740-L1879 HydrophobicContact CZ-CD2 4.31Å; I1872-L1879 HydrophobicContact CG2-CD1 3.82Å; I1872-L1879 HydrophobicContact CG2-CD2 4.41Å; I1872-L1879 HydrophobicContact CG2-CG 4.1Å; S1873-L1879 CarbonylContact O-C 3.54Å; S1873-L1879 WeakPolarHBondContact O-CA 3.47Å; L1879-I1881 HydrophobicContact CD2-CD1 4.15Å; L1879-I1881 HydrophobicContact CD2-CG1 3.78Å |
| 1880 | I | 66.7 | Low | 71.1 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 16% | 0.159 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 152.1 | 173.2 | 63.8 | -176.8 | 0 | 0 | 0 | 109.9 | P1796 F1798 V1821 S1873 | P1796-I1880 HydrophobicContact CB-CD1 3.61Å; P1796-I1880 HydrophobicContact CB-CG1 3.78Å; P1796-I1880 HydrophobicContact CB-CG2 4.11Å; P1796-I1880 WeakPolarHBondContact O-CG2 3.33Å; F1798-I1880 HydrophobicContact CD1-CD1 3.91Å; F1798-I1880 HydrophobicContact CD2-CD1 4Å; F1798-I1880 HydrophobicContact CE1-CD1 3.5Å; F1798-I1880 HydrophobicContact CE1-CG1 4.09Å; F1798-I1880 HydrophobicContact CE2-CB 3.92Å; F1798-I1880 HydrophobicContact CE2-CD1 3.62Å; F1798-I1880 HydrophobicContact CE2-CG1 3.94Å; F1798-I1880 HydrophobicContact CG-CD1 4.12Å; F1798-I1880 HydrophobicContact CZ-CB 3.94Å; F1798-I1880 HydrophobicContact CZ-CD1 3.32Å; F1798-I1880 HydrophobicContact CZ-CG1 3.52Å; V1821-I1880 HydrophobicContact CG1-CD1 3.78Å; V1821-I1880 HydrophobicContact CG2-CD1 4.09Å; S1873-I1880 PolarHBondContact N-O 3.2Å; S1873-I1880 PolarHBondContact O-N 3.37Å |
| 1881 | I | 70.5 | Confident | 69.2 | Low | 75 Ų | 75 | 44.3 Ų | 44.3 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.9 | 175.6 | -53.5 | -178.1 | 0 | 0 | 0 | 107.3 | D1870 L1871 I1872 L1879 | D1870-I1881 HydrophobicContact CB-CG2 4.22Å; L1871-I1881 CarbonylContact O-C 3.53Å; L1871-I1881 WeakPolarHBondContact O-CA 3.4Å; I1872-I1881 HydrophobicContact CD1-CD1 4.22Å; I1872-I1881 HydrophobicContact CD1-CG1 4.38Å; I1872-I1881 HydrophobicContact CG1-CD1 4.48Å; I1872-I1881 HydrophobicContact CG1-CG1 4.12Å; I1872-I1881 HydrophobicContact CG1-CG2 4.25Å; I1872-I1881 HydrophobicContact CG2-CG1 4.47Å; L1879-I1881 HydrophobicContact CD2-CD1 4.15Å; L1879-I1881 HydrophobicContact CD2-CG1 3.78Å |
| 1882 | K | 75.6 | Confident | 66.8 | Low | 38 Ų | 38 | 49.5 Ų | 49.5 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 122.6 | 166.9 | -147.9 | 171 | -178.4 | 173.3 | 0 | 109.6 | F1798 F1803 L1871 | F1798-K1882 HydrophobicContact CD1-CD 4.12Å; F1798-K1882 HydrophobicContact CD2-CD 4.13Å; F1798-K1882 HydrophobicContact CE1-CB 4.02Å; F1798-K1882 HydrophobicContact CE1-CD 4.09Å; F1798-K1882 HydrophobicContact CE2-CB 3.99Å; F1798-K1882 HydrophobicContact CE2-CD 4.09Å; F1798-K1882 HydrophobicContact CE2-CG 4.25Å; F1798-K1882 HydrophobicContact CG-CD 4.16Å; F1798-K1882 HydrophobicContact CZ-CB 3.55Å; F1798-K1882 HydrophobicContact CZ-CD 4.1Å; F1798-K1882 HydrophobicContact CZ-CG 4.23Å; F1803-K1882 HydrophobicContact CB-CD 3.97Å; F1803-K1882 HydrophobicContact CD1-CB 4.3Å; F1803-K1882 HydrophobicContact CD1-CD 3.67Å; F1803-K1882 HydrophobicContact CD1-CG 3.64Å; F1803-K1882 HydrophobicContact CD2-CD 4.44Å; F1803-K1882 HydrophobicContact CE1-CB 3.94Å; F1803-K1882 HydrophobicContact CE1-CD 4.2Å; F1803-K1882 HydrophobicContact CE1-CG 3.7Å; F1803-K1882 HydrophobicContact CG-CD 3.8Å; F1803-K1882 HydrophobicContact CG-CG 4.24Å; F1803-K1882 HydrophobicContact CZ-CB 4.08Å; F1803-K1882 HydrophobicContact CZ-CG 4.32Å; F1803-K1882 VanDerWaalsContact CZ-O 3.3Å; F1803-K1882 WeakPolarHBondContact CZ-O 3.19Å; L1871-K1882 PolarHBondContact N-O 3.29Å; L1871-K1882 PolarHBondContact O-N 3.07Å |
| 1883 | S | 78.7 | Confident | 64.6 | Low | 55 Ų | 55 | 57 Ų | 57 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.6 | -172.1 | -53 | 0 | 0 | 0 | 0 | 111.2 | W1869 D1870 | W1869-S1883 CarbonylContact O-C 3.56Å; W1869-S1883 WeakPolarHBondContact O-CA 3.46Å; D1870-S1883 WeakPolarHBondContact OD1-CB 3.35Å; D1870-S1883 PolarHBondContact OD1-OG 3.41Å |
| 1884 | C | 78.1 | Confident | 62.2 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 118.7 | 173.9 | 169.3 | 0 | 0 | 0 | 0 | 109.4 | F1803 S1804 P1805 L1817 W1869 | F1803-C1884 HydrophobicContact CD1-CB 4.42Å; F1803-C1884 HydrophobicContact CE1-CB 3.63Å; F1803-C1884 HydrophobicContact CZ-CB 3.91Å; S1804-C1884 WeakPolarHBondContact O-CB 3.31Å; S1804-C1884 PolarHBondContact O-SG 3.27Å; S1804-C1884 VanDerWaalsContact O-SG 3.33Å; P1805-C1884 WeakPolarHBondContact O-CA 3.46Å; L1817-C1884 HydrophobicContact CD1-CB 4.28Å; L1817-C1884 HydrophobicContact CD2-CB 4.41Å; W1869-C1884 PolarHBondContact N-O 3.45Å; W1869-C1884 PolarHBondContact O-N 3.48Å |
| 1885 | Q | 82 | Confident | 59.9 | Low | 86 Ų | 86 | 69.1 Ų | 69.1 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 111.9 | 172.9 | -164.7 | 165.4 | -20 | 0 | 0 | 110.5 | P1805 M1806 M1807 G1867 I1868 F1887 | P1805-Q1885 PolarHBondContact O-N 2.8Å; M1806-Q1885 WeakPolarHBondContact CA-O 3.49Å; M1807-Q1885 PolarHBondContact N-O 3.5Å; G1867-Q1885 WeakPolarHBondContact O-CA 3.44Å; I1868-Q1885 HydrophobicContact CG1-CB 4.44Å; I1868-Q1885 HydrophobicContact CG1-CG 4.07Å; Q1885-F1887 HydrophobicContact CB-CE2 4.08Å; Q1885-F1887 HydrophobicContact CG-CD2 4.27Å; Q1885-F1887 HydrophobicContact CG-CE2 3.6Å; Q1885-F1887 HydrophobicContact CG-CZ 4.04Å; Q1885-F1887 VanDerWaalsContact NE2-CZ 3.34Å |
| 1886 | L | 83.1 | Confident | 57.9 | Low | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120 | -179.4 | -166 | 71.5 | 0 | 0 | 0 | 109.9 | M1807 V1809 V1815 L1858 V1861 H1865 S1866 G1867 V1888 | M1807-L1886 HydrophobicContact CB-CD1 3.93Å; M1807-L1886 HydrophobicContact CG-CD1 3.86Å; M1807-L1886 WeakPolarHBondContact O-CA 3.43Å; M1807-L1886 HydrophobicContact SD-CD1 3.97Å; V1809-L1886 HydrophobicContact CG2-CD1 3.81Å; V1809-L1886 HydrophobicContact CG2-CG 4.27Å; V1815-L1886 HydrophobicContact CG1-CD1 4.25Å; V1815-L1886 HydrophobicContact CG2-CD1 4.2Å; L1858-L1886 HydrophobicContact CD1-CD2 3.7Å; V1861-L1886 HydrophobicContact CG1-CD2 4.27Å; H1865-L1886 HydrophobicContact CB-CD2 4.31Å; H1865-L1886 WeakPolarHBondContact O-CD2 3.37Å; S1866-L1886 WeakPolarHBondContact CA-O 3.4Å; S1866-L1886 WeakPolarHBondContact CB-O 3.42Å; S1866-L1886 PolarHBondContact OG-O 3.01Å; G1867-L1886 PolarHBondContact N-O 3.16Å; G1867-L1886 VanDerWaalsContact N-O 3.12Å; G1867-L1886 PolarHBondContact O-N 2.85Å; L1886-V1888 HydrophobicContact CD2-CG2 4.26Å; L1886-V1888 HydrophobicContact CG-CG2 4.25Å |
| 1887 | F | 75.9 | Confident | 56.2 | Low | 73 Ų | 73 | 82.7 Ų | 82.7 | 32% | 0.32 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 130.7 | 172.9 | -71.6 | -94 | 0 | 0 | 0 | 109.1 | M1806 M1807 E1808 V1809 Q1885 | M1806-F1887 HydrophobicContact CE-CD2 3.73Å; M1806-F1887 HydrophobicContact CE-CE2 3.63Å; M1806-F1887 HydrophobicContact CE-CG 4.38Å; M1806-F1887 HydrophobicContact CE-CZ 4.21Å; M1806-F1887 HydrophobicContact CG-CD2 3.84Å; M1806-F1887 HydrophobicContact CG-CE2 3.79Å; M1806-F1887 HydrophobicContact SD-CD2 4.36Å; M1806-F1887 HydrophobicContact SD-CE2 3.93Å; M1807-F1887 PolarHBondContact O-N 3.34Å; E1808-F1887 WeakPolarHBondContact CA-O 3.44Å; E1808-F1887 HydrophobicContact CB-CB 4.22Å; E1808-F1887 HydrophobicContact CG-CB 4.18Å; V1809-F1887 PolarHBondContact N-O 3.25Å; Q1885-F1887 HydrophobicContact CB-CE2 4.08Å; Q1885-F1887 HydrophobicContact CG-CD2 4.27Å; Q1885-F1887 HydrophobicContact CG-CE2 3.6Å; Q1885-F1887 HydrophobicContact CG-CZ 4.04Å; Q1885-F1887 VanDerWaalsContact NE2-CZ 3.34Å |
| 1888 | V | 79.9 | Confident | 54.2 | Low | 17 Ų | 17 | 85 Ų | 85 | 10% | 0.103 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 109.3 | -176.2 | -175 | 0 | 0 | 0 | 0 | 110.1 | V1809 A1811 V1861 L1886 | V1809-V1888 HydrophobicContact CG2-CG2 4.42Å; V1809-V1888 WeakPolarHBondContact O-CA 3.3Å; A1811-V1888 HydrophobicContact CB-CG1 4.09Å; V1861-V1888 HydrophobicContact CG1-CB 4.23Å; V1861-V1888 HydrophobicContact CG1-CG1 3.78Å; V1861-V1888 HydrophobicContact CG1-CG2 3.37Å; L1886-V1888 HydrophobicContact CD2-CG2 4.26Å; L1886-V1888 HydrophobicContact CG-CG2 4.25Å |
| 1889 | S | 56.2 | Low | 52.6 | Low | 37 Ų | 37 | 90.9 Ų | 90.9 | 26% | 0.259 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 149.4 | -177.6 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | E1808 V1809 I1810 A1811 | E1808-S1889 WeakPolarHBondContact OE1-CB 3.33Å; E1808-S1889 PolarHBondContact OE1-OG 2.95Å; V1809-S1889 PolarHBondContact O-N 3.43Å; V1809-S1889 PolarHBondContact O-OG 3.35Å; I1810-S1889 WeakPolarHBondContact CA-O 3.22Å; A1811-S1889 PolarHBondContact N-O 3.16Å |
| 1890 | E | 46.2 | Very low | 50.6 | Low | 108 Ų | 108 | 95.1 Ų | 95.1 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | trans | -115.2 | 130.3 | -178.4 | -70.7 | 170.1 | 146.8 | 0 | 0 | 109.9 | A1811 K1863 S1892 | A1811-E1890 HydrophobicContact CB-CG 4.33Å; K1863-E1890 WeakPolarHBondContact CE-OE2 3.49Å; K1863-E1890 IonicContact NZ-OE1 3.52Å; K1863-E1890 IonicContact NZ-OE2 3.27Å; K1863-E1890 PolarHBondContact NZ-OE2 2.91Å; E1890-S1892 PolarHBondContact O-N 3.27Å | ||
| 1891 | Y | 36.8 | Very low | 48.5 | Very low | 187 Ų | 187 | 100 Ų | 100 | 73% | 0.733 | 53% | 0.526 | S | S | * | . | trans | -66.3 | 122.1 | -178.2 | -114.4 | -89.1 | 0 | 0 | 0 | 111.6 | I1810 | I1810-Y1891 HydrophobicContact CD1-CD2 4.46Å; I1810-Y1891 HydrophobicContact CD1-CE2 3.89Å; I1810-Y1891 HydrophobicContact CG1-CD2 4.49Å; I1810-Y1891 HydrophobicContact CG1-CE2 4.36Å; I1810-Y1891 HydrophobicContact CG2-CD2 3.93Å; I1810-Y1891 HydrophobicContact CG2-CE2 4.42Å | ||
| 1892 | S | 31.8 | Very low | 46.3 | Very low | 108 Ų | 108 | 104.5 Ų | 104.5 | 76% | 0.755 | 55% | 0.545 | S | S | * | . | trans | -131.7 | 98.6 | 175.5 | 42.5 | 0 | 0 | 0 | 0 | 111.7 | E1890 | E1890-S1892 PolarHBondContact O-N 3.27Š| ||
| 1893 | N | 26.4 | Very low | 43.8 | Very low | 163 Ų | 163 | 108.7 Ų | 108.7 | 87% | 0.872 | 57% | 0.574 | S | S | * | * | trans | -76.3 | 119.7 | 166.6 | -83.1 | -32.5 | 0 | 0 | 0 | 108.9 | ||||
| 1894 | G | 28.4 | Very low | 41.3 | Very low | 75 Ų | 75 | 113.3 Ų | 113.3 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | trans | -156.4 | 26.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | L1896 | G1894-L1896 PolarHBondContact O-N 2.88Š| ||
| 1895 | Y | 23.5 | Very low | 38.8 | Very low | 234 Ų | 234 | 120.9 Ų | 120.9 | 92% | 0.918 | 63% | 0.631 | S | S | * | * | trans | -79.8 | 109.3 | 163.5 | -92.4 | -89.5 | 0 | 0 | 0 | 109.9 | ||||
| 1896 | L | 26.5 | Very low | 36.2 | Very low | 146 Ų | 146 | 123.9 Ų | 123.9 | 76% | 0.764 | 65% | 0.65 | S | S | * | * | trans | 161.1 | 134.2 | 130.3 | -87.6 | 163.4 | 0 | 0 | 0 | 114.7 | G1894 | G1894-L1896 PolarHBondContact O-N 2.88Š| ||
| 1897 | K | 24.8 | Very low | 33.5 | Very low | 194 Ų | 194 | 131.8 Ų | 131.8 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | 84.7 | 153.1 | 145.3 | -75.7 | 179.2 | 177.3 | -173.1 | 0 | 121.9 | ||||
| 1898 | S | 23.7 | Very low | 31.2 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | trans | -92.2 | 162.3 | -178.2 | 52.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1899 | D | 23.4 | Very low | 29.3 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 59.8 | 126.1 | 150.6 | -59.5 | -4.3 | 0 | 0 | 0 | 120.7 | ||||
| 1900 | N | 24 | Very low | 27.7 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 72.9 | 114.7 | 150.3 | -58 | -32.2 | 0 | 0 | 0 | 120 | ||||
| 1901 | N | 23.3 | Very low | 26.8 | Very low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | 56.1 | 114.8 | 132.7 | -62.8 | 11.7 | 0 | 0 | 0 | 121.4 | ||||
| 1902 | E | 23.2 | Very low | 26.2 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | 75.1 | 144.7 | 131.3 | -61.6 | -174.3 | 140.3 | 0 | 0 | 121.8 | ||||
| 1903 | T | 24.5 | Very low | 25.9 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | 65 | 92.5 | 161.1 | 51.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1904 | I | 25.3 | Very low | 26 | Very low | 153 Ų | 153 | 151.4 Ų | 151.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | 24.7 | 122.4 | 120.8 | -44.6 | 168.6 | 0 | 0 | 0 | 117.8 | |||||
| 1905 | I | 26.4 | Very low | 25.9 | Very low | 158 Ų | 158 | 156.1 Ų | 156.1 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | -174.5 | 146.1 | 125.7 | -97 | 155.7 | 0 | 0 | 0 | 111.8 | |||||
| 1906 | N | 27.3 | Very low | 26 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -80.2 | 153.1 | 178.4 | -66.5 | -71 | 0 | 0 | 0 | 113.4 | ||||
| 1907 | I | 27.1 | Very low | 26.1 | Very low | 166 Ų | 166 | 153.6 Ų | 153.6 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -149.6 | 149.1 | 145.4 | -95.4 | 132.5 | 0 | 0 | 0 | 109.7 | ||||
| 1908 | K | 25.7 | Very low | 26.1 | Very low | 194 Ų | 194 | 149.8 Ų | 149.8 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -108 | 165.9 | -177.8 | -103.3 | -175.9 | 177.3 | 179.7 | 0 | 112.1 | ||||
| 1909 | P | 40.1 | Very low | 26.2 | Very low | 121 Ų | 121 | 154.2 Ų | 154.2 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -86.9 | 151 | -161.2 | 33.9 | -37.5 | 0 | 0 | 0 | 115.6 | ||||
| 1910 | P | 24.1 | Very low | 26.3 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -114.5 | 175.9 | 160.1 | 39.1 | -28.6 | 0 | 0 | 0 | 112.7 | ||||
| 1911 | S | 26.3 | Very low | 26.7 | Very low | 108 Ų | 108 | 156.1 Ų | 156.1 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -131.2 | -179.1 | -172.4 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1912 | N | 24.8 | Very low | 26.9 | Very low | 153 Ų | 153 | 157.6 Ų | 157.6 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 91.7 | 144.7 | 160.9 | -93.1 | -36.1 | 0 | 0 | 0 | 121.7 | ||||
| 1913 | K | 24.5 | Very low | 27 | Very low | 182 Ų | 182 | 157.5 Ų | 157.5 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 72.2 | 96.7 | 164.6 | -66.3 | 179.7 | -179.7 | -177.7 | 0 | 119.7 | ||||
| 1914 | F | 28.9 | Very low | 27.1 | Very low | 216 Ų | 216 | 157.4 Ų | 157.4 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | -131.4 | 129.1 | 120 | -119.5 | -89.9 | 0 | 0 | 0 | 108.9 | |||||
| 1915 | Q | 26.2 | Very low | 27.1 | Very low | 174 Ų | 174 | 157.2 Ų | 157.2 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | -143.6 | 120.8 | 175.7 | -90.7 | -171.1 | -48.2 | 0 | 0 | 108.3 | ||||
| 1916 | E | 25.4 | Very low | 27.1 | Very low | 164 Ų | 164 | 154.7 Ų | 154.7 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -169.1 | 165.9 | 147.2 | -110 | 159.1 | -160.6 | 0 | 0 | 109.1 | I1918 | E1916-I1918 HydrophobicContact CB-CD1 4.41Å; E1916-I1918 HydrophobicContact CG-CD1 3.65Å | ||
| 1917 | N | 30 | Very low | 26.9 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 56.9 | 72.5 | -164.1 | -57.5 | -23.8 | 0 | 0 | 0 | 113.2 | ||||
| 1918 | I | 25.1 | Very low | 26.9 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 59% | 0.59 | 78% | 0.782 | S | S | * | * | cis | 77.3 | 97.5 | 34.1 | -59.8 | 178.3 | 0 | 0 | 0 | 114.7 | E1916 | E1916-I1918 HydrophobicContact CB-CD1 4.41Å; E1916-I1918 HydrophobicContact CG-CD1 3.65Å | ||
| 1919 | K | 24.5 | Very low | 26.8 | Very low | 187 Ų | 187 | 149.9 Ų | 149.9 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 60.7 | 101.2 | 145.2 | -59.9 | 170.7 | -171.8 | 171.2 | 0 | 119.9 | ||||
| 1920 | L | 25.6 | Very low | 26.1 | Very low | 170 Ų | 170 | 152 Ų | 152 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | 168 | 125.9 | 135.3 | -92 | 160.2 | 0 | 0 | 0 | 106.8 | ||||
| 1921 | I | 32.2 | Very low | 26.2 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | cis | -131.4 | 135.7 | -0.3 | -70.2 | 162.7 | 0 | 0 | 0 | 108.6 | ||||
| 1922 | N | 28.6 | Very low | 26.1 | Very low | 164 Ų | 164 | 154.5 Ų | 154.5 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -108.2 | 129 | 160 | -125.9 | 3.2 | 0 | 0 | 0 | 106.8 | ||||
| 1923 | K | 25.5 | Very low | 26.3 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 73% | 0.726 | 78% | 0.775 | S | S | * | * | trans | -174.1 | 123.6 | 158.8 | -111.5 | -168.9 | 168.5 | -136.8 | 0 | 114.7 | ||||
| 1924 | Q | 25 | Very low | 26.3 | Very low | 123 Ų | 123 | 155.2 Ų | 155.2 | 58% | 0.575 | 78% | 0.778 | S | S | * | * | trans | 66.9 | 135.5 | 147.2 | -43.5 | -167.6 | -113.9 | 0 | 0 | 118.4 | ||||
| 1925 | E | 25.3 | Very low | 26.2 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | cis | -160.5 | 142.8 | -16.9 | -125.5 | 132.3 | -136.4 | 0 | 0 | 111.7 | ||||
| 1926 | S | 26.4 | Very low | 26.2 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -35 | 162.2 | 145.6 | 52.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1927 | S | 23.6 | Very low | 26.1 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | cis | -155.2 | 173.8 | 27.9 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1928 | V | 26.5 | Very low | 25.9 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | -158.1 | 138.4 | 67.7 | 162.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1929 | E | 24.3 | Very low | 25.9 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -85.6 | 151.5 | 168 | -52.7 | 164 | 114.6 | 0 | 0 | 110.9 | ||||
| 1930 | Q | 25.2 | Very low | 25.9 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | 175.2 | 131.6 | 129.1 | -100.1 | 168.6 | 51.5 | 0 | 0 | 114.1 | |||||
| 1931 | N | 25.7 | Very low | 25.9 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 65% | 0.647 | 76% | 0.758 | S | S | * | * | trans | 63.3 | 156.2 | 143.9 | -56.4 | -26.6 | 0 | 0 | 0 | 120.1 | ||||
| 1932 | M | 24 | Very low | 25.6 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 84% | 0.837 | 76% | 0.763 | S | S | * | * | cis | -162.1 | 167.1 | -30.7 | -106.4 | -163.2 | -166.2 | 0 | 0 | 108 | ||||
| 1933 | N | 29.2 | Very low | 25.5 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -69 | 138.1 | 173.9 | -57 | -47.8 | 0 | 0 | 0 | 113 | ||||
| 1934 | K | 26.2 | Very low | 25.6 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 174.9 | 153.1 | 136.5 | -101.4 | 164.4 | -177.1 | -179.4 | 0 | 114.9 | ||||
| 1935 | T | 25.1 | Very low | 25.8 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 54.6 | 119.4 | 158.6 | 44.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1936 | L | 25.8 | Very low | 25.7 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | 88.1 | 134.5 | 56.7 | -82.1 | 160.7 | 0 | 0 | 0 | 115 | |||||
| 1937 | E | 25.1 | Very low | 25.6 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | 78.5 | 95 | 153.6 | -70.6 | 172.7 | -139.8 | 0 | 0 | 123.2 | ||||
| 1938 | T | 25 | Very low | 25.8 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | 71.4 | 135.6 | 119.9 | -11.8 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1939 | Q | 25.6 | Very low | 25.6 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 107 | 103.3 | 149.4 | -59 | -163.4 | 20.4 | 0 | 0 | 121.5 | ||||
| 1940 | S | 24.7 | Very low | 25.7 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | 72.6 | 117.1 | 135.4 | 60.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1941 | N | 24.9 | Very low | 25.8 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 84 | 141.6 | 136.5 | -62.7 | -9.1 | 0 | 0 | 0 | 121.8 | ||||
| 1942 | S | 26.3 | Very low | 26 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 45.3 | 92 | 167.4 | 54.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1943 | S | 26.2 | Very low | 26.5 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -156.6 | 140.6 | 157.7 | 32.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1944 | G | 27 | Very low | 27.1 | Very low | 59 Ų | 59 | 137.9 Ų | 137.9 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | trans | -88.2 | -167.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1945 | T | 28.9 | Very low | 29.1 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | 53.5 | 72.4 | 167.9 | 41.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1946 | K | 23.8 | Very low | 31.2 | Very low | 207 Ų | 207 | 131.4 Ų | 131.4 | 90% | 0.9 | 74% | 0.739 | S | S | * | * | trans | -163.3 | 151.6 | 153.4 | -92 | 137.4 | -177.7 | 179.2 | 0 | 106.9 | ||||
| 1947 | G | 25.7 | Very low | 33.6 | Very low | 68 Ų | 68 | 127.6 Ų | 127.6 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | -168.8 | 176.9 | -3.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1948 | I | 26.1 | Very low | 36.5 | Very low | 169 Ų | 169 | 120.3 Ų | 120.3 | 87% | 0.867 | 69% | 0.689 | S | S | * | * | trans | -74.9 | 127.9 | -178.1 | -61.6 | 166.4 | 0 | 0 | 0 | 110.7 | ||||
| 1949 | T | 23.7 | Very low | 39.2 | Very low | 125 Ų | 125 | 120 Ų | 120 | 77% | 0.767 | 68% | 0.68 | S | S | * | * | trans | -135.7 | 117.6 | 165.1 | -50.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1950 | M | 26.4 | Very low | 42 | Very low | 166 Ų | 166 | 113 Ų | 113 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | trans | -71.6 | 143 | 175.1 | -55.5 | -160.4 | -51.1 | 0 | 0 | 110.3 | ||||
| 1951 | Q | 26.1 | Very low | 44.5 | Very low | 184 Ų | 184 | 112.7 Ų | 112.7 | 86% | 0.86 | 64% | 0.635 | S | S | * | * | trans | -113.6 | 134.3 | 171.4 | -70.4 | -174.2 | -34.6 | 0 | 0 | 109.8 | S1953 | Q1951-S1953 PolarHBondContact O-N 2.89Š| ||
| 1952 | N | 31 | Very low | 46.8 | Very low | 161 Ų | 161 | 109.1 Ų | 109.1 | 86% | 0.861 | 62% | 0.615 | S | S | * | * | trans | -74.4 | 106.9 | -163.3 | -66.2 | -23.4 | 0 | 0 | 0 | 112.7 | K1954 | N1952-K1954 PolarHBondContact O-N 3.02Š| ||
| 1953 | S | 33 | Very low | 49.3 | Very low | 83 Ų | 83 | 108.6 Ų | 108.6 | 58% | 0.58 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 116.4 | 152.9 | 62.8 | 0 | 0 | 0 | 0 | 108.4 | Q1951 L1955 | Q1951-S1953 PolarHBondContact O-N 2.89Å; S1953-L1955 PolarHBondContact O-N 3.49Å |
| 1954 | K | 42.3 | Very low | 51.8 | Low | 128 Ų | 128 | 103.6 Ų | 103.6 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 124.8 | 177.7 | -175.5 | -179.7 | 166.8 | -155.2 | 0 | 109.4 | N1952 E1956 N1984 | N1952-K1954 PolarHBondContact O-N 3.02Å; K1954-E1956 HydrophobicContact CB-CG 4.41Å; K1954-E1956 HydrophobicContact CD-CG 4.15Å; K1954-E1956 VanDerWaalsContact CD-OE1 3.31Å; K1954-E1956 WeakPolarHBondContact CD-OE1 3.13Å; K1954-E1956 WeakPolarHBondContact CE-OE1 3.43Å; K1954-E1956 HydrophobicContact CG-CG 3.92Å; K1954-E1956 IonicContact NZ-OE1 2.66Å; K1954-E1956 PolarHBondContact NZ-OE1 3.19Å; K1954-N1984 PolarHBondContact O-ND2 3.46Å |
| 1955 | L | 67.7 | Low | 54 | Low | 108 Ų | 108 | 105.5 Ų | 105.5 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 126.3 | 174.8 | -68.9 | 172.1 | 0 | 0 | 0 | 108.4 | S1953 N1984 I2037 | S1953-L1955 PolarHBondContact O-N 3.49Å; L1955-N1984 WeakPolarHBondContact CA-O 3.24Å; L1955-I2037 HydrophobicContact CB-CD1 3.75Å; L1955-I2037 HydrophobicContact CB-CG1 4.02Å; L1955-I2037 HydrophobicContact CD1-CD1 3.98Å; L1955-I2037 HydrophobicContact CD2-CD1 4.15Å; L1955-I2037 HydrophobicContact CG-CD1 4.17Å |
| 1956 | E | 69.3 | Low | 56.7 | Low | 70 Ų | 70 | 103.5 Ų | 103.5 | 33% | 0.327 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.6 | -169.6 | -65.8 | -176.2 | 148.8 | 0 | 0 | 109.8 | K1954 N1984 N2035 | K1954-E1956 HydrophobicContact CB-CG 4.41Å; K1954-E1956 HydrophobicContact CD-CG 4.15Å; K1954-E1956 VanDerWaalsContact CD-OE1 3.31Å; K1954-E1956 WeakPolarHBondContact CD-OE1 3.13Å; K1954-E1956 WeakPolarHBondContact CE-OE1 3.43Å; K1954-E1956 HydrophobicContact CG-CG 3.92Å; K1954-E1956 IonicContact NZ-OE1 2.66Å; K1954-E1956 PolarHBondContact NZ-OE1 3.19Å; E1956-N1984 HydrophobicContact CB-CB 4.24Å; E1956-N1984 PolarHBondContact N-O 3.15Å; E1956-N1984 PolarHBondContact O-N 3.29Å; E1956-N2035 PolarHBondContact O-ND2 3.19Å |
| 1957 | P | 76.8 | Confident | 59.3 | Low | 69 Ų | 69 | 97.2 Ų | 97.2 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 168.9 | 174.5 | 31.3 | -35.7 | 0 | 0 | 0 | 111 | G1983 I2037 | P1957-G1983 WeakPolarHBondContact O-CA 3.45Å; P1957-I2037 HydrophobicContact CB-CG2 4.17Å |
| 1958 | P | 85.3 | Confident | 62.1 | Low | 9 Ų | 9 | 98.3 Ų | 98.3 | 6% | 0.058 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 136.7 | 174.5 | -13.7 | 31.1 | 0 | 0 | 0 | 110 | K1982 P1987 A2033 N2035 G2038 A2040 | P1958-K1982 VanDerWaalsContact CA-O 3.3Å; P1958-K1982 WeakPolarHBondContact CA-O 3.12Å; P1958-P1987 HydrophobicContact CB-CB 3.97Å; P1958-P1987 HydrophobicContact CB-CG 4.2Å; P1958-P1987 HydrophobicContact CG-CB 3.95Å; P1958-A2033 HydrophobicContact CB-CB 3.79Å; P1958-A2033 WeakPolarHBondContact CG-O 3.25Å; P1958-N2035 WeakPolarHBondContact CD-OD1 3.47Å; P1958-N2035 HydrophobicContact CG-CB 4.32Å; P1958-G2038 WeakPolarHBondContact CD-O 3.47Å; P1958-G2038 VanDerWaalsContact CG-O 3.25Å; P1958-G2038 WeakPolarHBondContact CG-O 3.28Å; P1958-A2040 HydrophobicContact CB-CB 4.15Å; P1958-A2040 VanDerWaalsContact O-CB 3.31Å; P1958-A2040 WeakPolarHBondContact O-CB 3.42Å |
| 1959 | E | 82.4 | Confident | 64.9 | Low | 116 Ų | 116 | 91.7 Ų | 91.7 | 54% | 0.542 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 136.7 | -179.2 | -171.9 | -167.9 | 172.3 | 0 | 0 | 109.8 | L1981 K1982 | E1959-L1981 CarbonylContact O-C 3.44Å; E1959-L1981 WeakPolarHBondContact O-CA 3.45Å; E1959-L1981 WeakPolarHBondContact O-CB 3.45Å; E1959-K1982 PolarHBondContact N-O 3.05Å; E1959-K1982 VanDerWaalsContact N-O 3.08Å; E1959-K1982 PolarHBondContact O-N 2.97Å |
| 1960 | F | 84.6 | Confident | 67.5 | Low | 26 Ų | 26 | 89 Ų | 89 | 11% | 0.114 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 108.5 | 177.3 | -71.6 | -82.8 | 0 | 0 | 0 | 111.8 | I1962 L1963 C1979 S1980 L1981 V2031 A2033 A2040 C2042 | F1960-I1962 VanDerWaalsContact C-N 3.34Å; F1960-L1963 HydrophobicContact CB-CD2 3.58Å; F1960-L1963 HydrophobicContact CG-CD2 4.18Å; F1960-C1979 HydrophobicContact CD1-CB 4.06Å; F1960-C1979 HydrophobicContact CE1-CB 4.28Å; F1960-S1980 CarbonylContact C-O 3.58Å; F1960-S1980 VanDerWaalsContact CA-O 3.3Å; F1960-S1980 WeakPolarHBondContact CA-O 3.42Å; F1960-L1981 HydrophobicContact CD1-CB 3.81Å; F1960-L1981 HydrophobicContact CD1-CD2 3.96Å; F1960-L1981 HydrophobicContact CE1-CB 4.06Å; F1960-L1981 HydrophobicContact CE1-CD2 3.37Å; F1960-L1981 HydrophobicContact CE1-CG 4.35Å; F1960-L1981 HydrophobicContact CG-CB 4.36Å; F1960-L1981 HydrophobicContact CZ-CD2 4.04Å; F1960-V2031 HydrophobicContact CE1-CG1 3.5Å; F1960-V2031 HydrophobicContact CZ-CG1 3.57Å; F1960-A2033 HydrophobicContact CE2-CB 4.38Å; F1960-A2033 HydrophobicContact CZ-CB 3.99Å; F1960-A2040 HydrophobicContact CD2-CB 3.82Å; F1960-A2040 HydrophobicContact CE2-CB 3.62Å; F1960-C2042 HydrophobicContact CD1-CB 4.06Å; F1960-C2042 HydrophobicContact CD2-CB 3.89Å; F1960-C2042 HydrophobicContact CE1-CB 4.04Å; F1960-C2042 HydrophobicContact CE2-CB 3.88Å; F1960-C2042 HydrophobicContact CG-CB 3.99Å; F1960-C2042 HydrophobicContact CZ-CB 3.98Å |
| 1961 | E | 77.3 | Confident | 69.9 | Low | 87 Ų | 87 | 84.4 Ų | 84.4 | 41% | 0.407 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | -30.7 | 171.9 | -55.8 | 179.8 | 106.8 | 0 | 0 | 112.7 | S1980 K1982 | E1961-S1980 PolarHBondContact N-O 2.87Å; E1961-S1980 PolarHBondContact OE2-OG 2.73Å; E1961-K1982 HydrophobicContact CG-CD 3.92Å; E1961-K1982 HydrophobicContact CG-CG 4.09Å; E1961-K1982 WeakPolarHBondContact OE1-CE 3.42Å; E1961-K1982 IonicContact OE1-NZ 3.51Å; E1961-K1982 PolarHBondContact OE1-NZ 2.68Å |
| 1962 | I | 74 | Confident | 72.3 | Confident | 73 Ų | 73 | 77.3 Ų | 77.3 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 120.3 | 176.4 | -58.8 | 174.6 | 0 | 0 | 0 | 107.3 | F1960 C1979 S1980 | F1960-I1962 VanDerWaalsContact C-N 3.34Å; I1962-C1979 WeakPolarHBondContact O-CA 3.44Å; I1962-C1979 WeakPolarHBondContact O-CB 3.21Å; I1962-S1980 PolarHBondContact N-O 3.39Å; I1962-S1980 VanDerWaalsContact N-O 3.17Å; I1962-S1980 PolarHBondContact O-N 3.26Å; I1962-S1980 VanDerWaalsContact O-N 3.09Å |
| 1963 | L | 78.5 | Confident | 74.5 | Confident | 111 Ų | 111 | 73.1 Ų | 73.1 | 58% | 0.581 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 146 | 171.5 | -56.2 | 171.1 | 0 | 0 | 0 | 109.2 | F1960 C2042 | F1960-L1963 HydrophobicContact CB-CD2 3.58Å; F1960-L1963 HydrophobicContact CG-CD2 4.18Å; L1963-C2042 HydrophobicContact CD2-CB 3.89Å; L1963-C2042 WeakPolarHBondContact CD2-SG 3.26Å |
| 1964 | F | 78.2 | Confident | 76.7 | Confident | 11 Ų | 11 | 72.3 Ų | 72.3 | 5% | 0.048 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 140.9 | 168.2 | 62.7 | -75 | 0 | 0 | 0 | 109.5 | L1977 C1979 W1991 V2031 C2042 A2044 | F1964-L1977 HydrophobicContact CB-CB 4.43Å; F1964-L1977 HydrophobicContact CD2-CB 4.02Å; F1964-L1977 HydrophobicContact CD2-CD1 4.08Å; F1964-L1977 HydrophobicContact CD2-CD2 4.24Å; F1964-L1977 HydrophobicContact CD2-CG 4.34Å; F1964-L1977 HydrophobicContact CE2-CD1 4.1Å; F1964-L1977 HydrophobicContact CG-CB 4.35Å; F1964-C1979 HydrophobicContact CD1-CB 4.21Å; F1964-W1991 HydrophobicContact CD1-CH2 4.34Å; F1964-W1991 HydrophobicContact CD1-CZ3 4.47Å; F1964-W1991 HydrophobicContact CE1-CH2 4.18Å; F1964-W1991 AromaticContact CE1-CZ3 3.96Å; F1964-W1991 HydrophobicContact CE1-CZ3 3.96Å; F1964-W1991 HydrophobicContact CE2-CZ3 4.16Å; F1964-W1991 HydrophobicContact CZ-CH2 4.43Å; F1964-W1991 AromaticContact CZ-CZ3 3.78Å; F1964-W1991 HydrophobicContact CZ-CZ3 3.78Å; F1964-V2031 HydrophobicContact CD1-CG1 4.44Å; F1964-V2031 HydrophobicContact CE1-CB 4.24Å; F1964-V2031 HydrophobicContact CE1-CG1 3.62Å; F1964-V2031 HydrophobicContact CZ-CG1 4.45Å; F1964-C2042 HydrophobicContact CD1-CB 4.37Å; F1964-C2042 WeakPolarHBondContact CD1-SG 3.4Å; F1964-C2042 HydrophobicContact CE1-CB 3.97Å; F1964-C2042 WeakPolarHBondContact CE1-SG 3.24Å; F1964-A2044 HydrophobicContact CD2-CB 3.43Å; F1964-A2044 VanDerWaalsContact CD2-CB 3.43Å; F1964-A2044 HydrophobicContact CE2-CB 3.55Å; F1964-A2044 HydrophobicContact CG-CB 4.38Å |
| 1965 | T | 73.7 | Confident | 78.7 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 61% | 0.607 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -101 | 166.6 | -178.2 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | A2044 | T1965-A2044 WeakPolarHBondContact O-CB 2.88Š|
| 1966 | D | 85.7 | Confident | 79.5 | Confident | 104 Ų | 104 | 63 Ų | 63 | 56% | 0.556 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 145.1 | 170.9 | -67.4 | 5.2 | 0 | 0 | 0 | 110.8 | A2044 L2045 | D1966-A2044 VanDerWaalsContact OD1-CA 3.27Å; D1966-A2044 WeakPolarHBondContact OD1-CA 2.96Å; D1966-A2044 WeakPolarHBondContact OD1-CB 3.09Å; D1966-L2045 CarbonylContact C-O 3.42Å; D1966-L2045 WeakPolarHBondContact CA-O 3.22Å; D1966-L2045 HydrophobicContact CB-CB 4.4Å; D1966-L2045 PolarHBondContact OD1-N 2.93Å |
| 1967 | K | 78 | Confident | 80.3 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 33% | 0.326 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.5 | -179.4 | -74.1 | -163.3 | 172.7 | -173 | 0 | 111.9 | M1969 V1975 C1976 L1977 L2045 L2046 I2047 | K1967-M1969 HydrophobicContact CB-CG 4.43Å; K1967-M1969 HydrophobicContact CB-SD 4.46Å; K1967-M1969 HydrophobicContact CD-SD 4.31Å; K1967-V1975 HydrophobicContact CD-CG1 4.36Å; K1967-C1976 PolarHBondContact NZ-O 2.91Å; K1967-L1977 HydrophobicContact CD-CD2 4.05Å; K1967-L1977 HydrophobicContact CG-CD2 4.45Å; K1967-L2045 PolarHBondContact N-O 3.15Å; K1967-L2046 HydrophobicContact CB-CD1 4.16Å; K1967-L2046 WeakPolarHBondContact O-CA 3.37Å; K1967-I2047 PolarHBondContact O-N 3.44Å |
| 1968 | V | 84.3 | Confident | 80.6 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.6 | 166.5 | -171.8 | 0 | 0 | 0 | 0 | 107.4 | I2047 N2049 | V1968-I2047 CarbonylContact C-O 3.58Å; V1968-I2047 WeakPolarHBondContact CA-O 3.4Å; V1968-I2047 HydrophobicContact CG1-CB 4.48Å; V1968-I2047 HydrophobicContact CG2-CB 4.31Å; V1968-I2047 HydrophobicContact CG2-CD1 4.4Å; V1968-N2049 VanDerWaalsContact CG1-ND2 3.25Å; V1968-N2049 WeakPolarHBondContact CG1-ND2 3.39Å |
| 1969 | M | 83.7 | Confident | 80.5 | Confident | 31 Ų | 31 | 59.7 Ų | 59.7 | 15% | 0.153 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 166.1 | -178.1 | -52.6 | -70.7 | -57.4 | 0 | 0 | 108.9 | K1967 E1973 V1975 L2046 I2047 I2048 N2049 | K1967-M1969 HydrophobicContact CB-CG 4.43Å; K1967-M1969 HydrophobicContact CB-SD 4.46Å; K1967-M1969 HydrophobicContact CD-SD 4.31Å; M1969-E1973 WeakPolarHBondContact CA-OE2 3.46Å; M1969-E1973 HydrophobicContact CE-CB 3.87Å; M1969-E1973 WeakPolarHBondContact CE-OE2 3.45Å; M1969-V1975 HydrophobicContact CB-CG2 4.47Å; M1969-V1975 HydrophobicContact CE-CG2 4.44Å; M1969-V1975 HydrophobicContact CG-CG1 4.17Å; M1969-V1975 HydrophobicContact CG-CG2 3.93Å; M1969-V1975 HydrophobicContact SD-CG1 4.45Å; M1969-L2046 HydrophobicContact CB-CD1 4.45Å; M1969-L2046 HydrophobicContact CG-CD1 3.71Å; M1969-I2047 PolarHBondContact N-O 2.84Å; M1969-I2048 HydrophobicContact CB-CG1 4.25Å; M1969-I2048 CarbonylContact O-C 3.57Å; M1969-I2048 WeakPolarHBondContact O-CA 3.25Å; M1969-N2049 PolarHBondContact O-N 3.22Å |
| 1970 | N | 78.6 | Confident | 80.5 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 157.7 | 171.4 | -55.3 | -69.5 | 0 | 0 | 0 | 111.4 | G1972 E1973 | N1970-G1972 PolarHBondContact O-N 3.37Å; N1970-E1973 HydrophobicContact CB-CG 4.19Å; N1970-E1973 WeakPolarHBondContact CB-OE1 3.48Å; N1970-E1973 VanDerWaalsContact N-CD 3.35Å; N1970-E1973 PolarHBondContact N-OE2 3.34Å; N1970-E1973 PolarHBondContact ND2-OE1 2.83Å; N1970-E1973 WeakPolarHBondContact O-CB 3.12Å; N1970-E1973 PolarHBondContact O-N 3.34Å |
| 1971 | V | 78.4 | Confident | 80.7 | Confident | 71 Ų | 71 | 53.3 Ų | 53.3 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 128.4 | 175 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | A2021 I2048 N2049 N2050 | V1971-A2021 CarbonylContact C-O 3.57Å; V1971-A2021 WeakPolarHBondContact CA-O 3.15Å; V1971-I2048 HydrophobicContact CB-CG2 4.32Å; V1971-I2048 HydrophobicContact CG2-CG2 3.56Å; V1971-N2049 PolarHBondContact N-O 3.22Å; V1971-N2050 HydrophobicContact CG2-CB 4.23Å |
| 1972 | G | 74.6 | Confident | 80.9 | Confident | 35 Ų | 35 | 53.7 Ų | 53.7 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.7 | -15.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N1970 N2020 A2021 | N1970-G1972 PolarHBondContact O-N 3.37Å; G1972-N2020 WeakPolarHBondContact CA-OD1 3.41Å; G1972-A2021 PolarHBondContact N-O 3.36Å |
| 1973 | E | 77.8 | Confident | 81.2 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 34% | 0.336 | 29% | 0.285 | S | S | . | . | trans | -68.6 | 160.3 | 177.5 | -67.7 | 177 | 173.2 | 0 | 0 | 112 | M1969 N1970 A2021 | M1969-E1973 WeakPolarHBondContact CA-OE2 3.46Å; M1969-E1973 HydrophobicContact CE-CB 3.87Å; M1969-E1973 WeakPolarHBondContact CE-OE2 3.45Å; N1970-E1973 HydrophobicContact CB-CG 4.19Å; N1970-E1973 WeakPolarHBondContact CB-OE1 3.48Å; N1970-E1973 VanDerWaalsContact N-CD 3.35Å; N1970-E1973 PolarHBondContact N-OE2 3.34Å; N1970-E1973 PolarHBondContact ND2-OE1 2.83Å; N1970-E1973 WeakPolarHBondContact O-CB 3.12Å; N1970-E1973 PolarHBondContact O-N 3.34Å; E1973-A2021 WeakPolarHBondContact O-CB 3.48Å; E1973-A2021 PolarHBondContact O-N 3.08Å | ||
| 1974 | T | 80.3 | Confident | 81.3 | Confident | 67 Ų | 67 | 48.2 Ų | 48.2 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | trans | -95.3 | 114.5 | 174 | -63 | 0 | 0 | 0 | 0 | 109.8 | F2017 I2018 Y2019 | T1974-F2017 HydrophobicContact CG2-CD1 4.08Å; T1974-I2018 CarbonylContact C-O 3.53Å; T1974-I2018 WeakPolarHBondContact CA-O 3.1Å; T1974-Y2019 HydrophobicContact CG2-CD1 3.56Å; T1974-Y2019 HydrophobicContact CG2-CE1 3.9Å | ||
| 1975 | V | 83.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 140.3 | 175.8 | -159.7 | 0 | 0 | 0 | 0 | 109.6 | K1967 M1969 L1977 F2017 I2018 A2021 L2046 | K1967-V1975 HydrophobicContact CD-CG1 4.36Å; M1969-V1975 HydrophobicContact CB-CG2 4.47Å; M1969-V1975 HydrophobicContact CE-CG2 4.44Å; M1969-V1975 HydrophobicContact CG-CG1 4.17Å; M1969-V1975 HydrophobicContact CG-CG2 3.93Å; M1969-V1975 HydrophobicContact SD-CG1 4.45Å; V1975-L1977 HydrophobicContact CG1-CD2 4.03Å; V1975-L1977 HydrophobicContact CG1-CG 4.29Å; V1975-F2017 CarbonylContact O-C 3.57Å; V1975-F2017 WeakPolarHBondContact O-CA 3.34Å; V1975-I2018 HydrophobicContact CB-CB 4.03Å; V1975-I2018 HydrophobicContact CB-CD1 4.14Å; V1975-I2018 HydrophobicContact CB-CG1 4.5Å; V1975-I2018 HydrophobicContact CG2-CB 4.19Å; V1975-I2018 HydrophobicContact CG2-CD1 4.44Å; V1975-I2018 PolarHBondContact N-O 3.42Å; V1975-I2018 PolarHBondContact O-N 2.9Å; V1975-A2021 HydrophobicContact CG2-CB 3.63Å; V1975-L2046 HydrophobicContact CB-CD2 4.39Å; V1975-L2046 HydrophobicContact CG1-CD1 3.78Å; V1975-L2046 HydrophobicContact CG1-CD2 4.09Å; V1975-L2046 HydrophobicContact CG2-CD1 4.09Å; V1975-L2046 HydrophobicContact CG2-CD2 3.95Å |
| 1976 | C | 83.8 | Confident | 81.5 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 27% | 0.27 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 113 | 173.6 | 169.2 | 0 | 0 | 0 | 0 | 108.4 | K1967 I2015 L2016 F2017 | K1967-C1976 PolarHBondContact NZ-O 2.91Å; C1976-I2015 WeakPolarHBondContact SG-CG2 3.48Å; C1976-L2016 WeakPolarHBondContact CA-O 3.47Å; C1976-F2017 HydrophobicContact CB-CD1 4.07Å; C1976-F2017 HydrophobicContact CB-CE1 3.88Å |
| 1977 | L | 87 | Confident | 81.3 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 104.3 | 173.6 | -54.6 | -178.9 | 0 | 0 | 0 | 108 | F1964 K1967 V1975 W1991 I2015 L2016 Y2029 | F1964-L1977 HydrophobicContact CB-CB 4.43Å; F1964-L1977 HydrophobicContact CD2-CB 4.02Å; F1964-L1977 HydrophobicContact CD2-CD1 4.08Å; F1964-L1977 HydrophobicContact CD2-CD2 4.24Å; F1964-L1977 HydrophobicContact CD2-CG 4.34Å; F1964-L1977 HydrophobicContact CE2-CD1 4.1Å; F1964-L1977 HydrophobicContact CG-CB 4.35Å; K1967-L1977 HydrophobicContact CD-CD2 4.05Å; K1967-L1977 HydrophobicContact CG-CD2 4.45Å; V1975-L1977 HydrophobicContact CG1-CD2 4.03Å; V1975-L1977 HydrophobicContact CG1-CG 4.29Å; L1977-W1991 HydrophobicContact CB-CH2 4.18Å; L1977-W1991 HydrophobicContact CB-CZ3 4.27Å; L1977-I2015 WeakPolarHBondContact O-CA 3.36Å; L1977-L2016 HydrophobicContact CB-CB 4.33Å; L1977-L2016 HydrophobicContact CD1-CD2 4.44Å; L1977-L2016 PolarHBondContact N-O 3.15Å; L1977-L2016 PolarHBondContact O-N 3.27Å; L1977-Y2029 HydrophobicContact CD1-CD1 4.03Å; L1977-Y2029 HydrophobicContact CD1-CD2 3.98Å; L1977-Y2029 HydrophobicContact CD1-CG 3.61Å |
| 1978 | K | 83 | Confident | 81.4 | Confident | 74 Ų | 74 | 47.9 Ų | 47.9 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.7 | -177 | 167.4 | 168 | 167.7 | 161.6 | 0 | 110.7 | E2013 I2015 | K1978-E2013 VanDerWaalsContact CE-CD 3.41Å; K1978-E2013 VanDerWaalsContact CE-OE1 3.23Å; K1978-E2013 WeakPolarHBondContact CE-OE1 2.8Å; K1978-E2013 VanDerWaalsContact CE-OE2 3.31Å; K1978-E2013 WeakPolarHBondContact CE-OE2 3.31Å; K1978-E2013 IonicContact NZ-OE1 2.78Å; K1978-E2013 PolarHBondContact NZ-OE1 2.8Å; K1978-E2013 IonicContact NZ-OE2 2.76Å; K1978-E2013 PolarHBondContact NZ-OE2 2.91Å; K1978-I2015 HydrophobicContact CB-CG1 4.13Å; K1978-I2015 HydrophobicContact CB-CG2 4.27Å; K1978-I2015 HydrophobicContact CD-CD1 4.1Å; K1978-I2015 HydrophobicContact CD-CG1 4.16Å; K1978-I2015 HydrophobicContact CG-CG1 4.04Å |
| 1979 | C | 83 | Confident | 81.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 160 | 165.1 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | F1960 I1962 F1964 E2013 Y2014 | F1960-C1979 HydrophobicContact CD1-CB 4.06Å; F1960-C1979 HydrophobicContact CE1-CB 4.28Å; I1962-C1979 WeakPolarHBondContact O-CA 3.44Å; I1962-C1979 WeakPolarHBondContact O-CB 3.21Å; F1964-C1979 HydrophobicContact CD1-CB 4.21Å; C1979-E2013 WeakPolarHBondContact O-CA 3.46Å; C1979-Y2014 PolarHBondContact N-O 2.9Å; C1979-Y2014 PolarHBondContact O-N 3.21Å; C1979-Y2014 PolarHBondContact SG-O 2.91Å |
| 1980 | S | 83.6 | Confident | 81.6 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.4 | 168.2 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | F1960 E1961 I1962 N2012 | F1960-S1980 CarbonylContact C-O 3.58Å; F1960-S1980 VanDerWaalsContact CA-O 3.3Å; F1960-S1980 WeakPolarHBondContact CA-O 3.42Å; E1961-S1980 PolarHBondContact N-O 2.87Å; E1961-S1980 PolarHBondContact OE2-OG 2.73Å; I1962-S1980 PolarHBondContact N-O 3.39Å; I1962-S1980 VanDerWaalsContact N-O 3.17Å; I1962-S1980 PolarHBondContact O-N 3.26Å; I1962-S1980 VanDerWaalsContact O-N 3.09Å; S1980-N2012 CarbonylContact C-O 3.57Å; S1980-N2012 VanDerWaalsContact CA-O 3.3Å; S1980-N2012 WeakPolarHBondContact CA-O 3.3Å; S1980-N2012 PolarHBondContact OG-O 2.81Å |
| 1981 | L | 86.8 | Confident | 82 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 143.9 | -177.6 | 62.1 | 97.8 | 0 | 0 | 0 | 114 | E1959 F1960 P1987 V1989 N2012 Y2014 A2033 | E1959-L1981 CarbonylContact O-C 3.44Å; E1959-L1981 WeakPolarHBondContact O-CA 3.45Å; E1959-L1981 WeakPolarHBondContact O-CB 3.45Å; F1960-L1981 HydrophobicContact CD1-CB 3.81Å; F1960-L1981 HydrophobicContact CD1-CD2 3.96Å; F1960-L1981 HydrophobicContact CE1-CB 4.06Å; F1960-L1981 HydrophobicContact CE1-CD2 3.37Å; F1960-L1981 HydrophobicContact CE1-CG 4.35Å; F1960-L1981 HydrophobicContact CG-CB 4.36Å; F1960-L1981 HydrophobicContact CZ-CD2 4.04Å; L1981-P1987 HydrophobicContact CD1-CG 3.35Å; L1981-V1989 HydrophobicContact CD1-CG2 3.99Å; L1981-V1989 HydrophobicContact CD2-CG1 4.46Å; L1981-V1989 HydrophobicContact CD2-CG2 3.99Å; L1981-N2012 PolarHBondContact N-O 3.3Å; L1981-N2012 VanDerWaalsContact O-CB 3.24Å; L1981-N2012 WeakPolarHBondContact O-CB 3.34Å; L1981-N2012 VanDerWaalsContact O-CG 3.29Å; L1981-Y2014 HydrophobicContact CD1-CD2 4.31Å; L1981-Y2014 HydrophobicContact CD1-CE2 3.6Å; L1981-Y2014 HydrophobicContact CD2-CD2 3.47Å; L1981-Y2014 VanDerWaalsContact CD2-CD2 3.47Å; L1981-Y2014 HydrophobicContact CD2-CE2 3.63Å; L1981-Y2014 HydrophobicContact CD2-CG 4.17Å; L1981-Y2014 HydrophobicContact CG-CD2 3.67Å; L1981-Y2014 HydrophobicContact CG-CE2 3.43Å; L1981-Y2014 VanDerWaalsContact CG-CE2 3.43Å; L1981-A2033 HydrophobicContact CD1-CB 4.12Å; L1981-A2033 HydrophobicContact CD2-CB 4.16Å |
| 1982 | K | 82.2 | Confident | 82.6 | Confident | 95 Ų | 95 | 43.2 Ų | 43.2 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 173.2 | 176.2 | -82.3 | 169.8 | 167.9 | 148.1 | 0 | 111.1 | P1958 E1959 E1961 N2012 | P1958-K1982 VanDerWaalsContact CA-O 3.3Å; P1958-K1982 WeakPolarHBondContact CA-O 3.12Å; E1959-K1982 PolarHBondContact N-O 3.05Å; E1959-K1982 VanDerWaalsContact N-O 3.08Å; E1959-K1982 PolarHBondContact O-N 2.97Å; E1961-K1982 HydrophobicContact CG-CD 3.92Å; E1961-K1982 HydrophobicContact CG-CG 4.09Å; E1961-K1982 WeakPolarHBondContact OE1-CE 3.42Å; E1961-K1982 IonicContact OE1-NZ 3.51Å; E1961-K1982 PolarHBondContact OE1-NZ 2.68Å; K1982-N2012 WeakPolarHBondContact CG-ND2 3.41Å |
| 1983 | G | 81.4 | Confident | 83.3 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 19% | 0.186 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151 | 143.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1957 P1985 | P1957-G1983 WeakPolarHBondContact O-CA 3.45Å; G1983-P1985 CarbonylContact C-O 3.59Å; G1983-P1985 VanDerWaalsContact C-O 3.32Å; G1983-P1985 CarbonylContact O-C 3.51Å |
| 1984 | N | 79.1 | Confident | 83.7 | Confident | 50 Ų | 50 | 44.1 Ų | 44.1 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 112.9 | 178.8 | -176.4 | 28.8 | 0 | 0 | 0 | 110.9 | K1954 L1955 E1956 | K1954-N1984 PolarHBondContact O-ND2 3.46Å; L1955-N1984 WeakPolarHBondContact CA-O 3.24Å; E1956-N1984 HydrophobicContact CB-CB 4.24Å; E1956-N1984 PolarHBondContact N-O 3.15Å; E1956-N1984 PolarHBondContact O-N 3.29Å |
| 1985 | P | 82 | Confident | 83.5 | Confident | 53 Ų | 53 | 43.9 Ų | 43.9 | 34% | 0.344 | 24% | 0.242 | S | C | . | . | S | Bend | cis | -62.7 | 158.2 | 3 | -23.8 | 35.9 | 0 | 0 | 0 | 114.2 | G1983 N2035 V2036 | G1983-P1985 CarbonylContact C-O 3.59Å; G1983-P1985 VanDerWaalsContact C-O 3.32Å; G1983-P1985 CarbonylContact O-C 3.51Å; P1985-N2035 WeakPolarHBondContact O-CB 3.15Å; P1985-N2035 PolarHBondContact O-ND2 3Å; P1985-V2036 HydrophobicContact CG-CG2 3.83Å |
| 1986 | K | 75.1 | Confident | 83.3 | Confident | 123 Ų | 123 | 51.7 Ų | 51.7 | 54% | 0.535 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 124 | 179.4 | -175.1 | -178.6 | 177.3 | -172 | 0 | 110 | Q2009 K2011 | K1986-Q2009 VanDerWaalsContact CE-NE2 3.27Å; K1986-K2011 WeakPolarHBondContact CE-O 3.36Å |
| 1987 | P | 81.1 | Confident | 83.1 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 147.7 | -174.9 | 28.1 | -35.8 | 0 | 0 | 0 | 113.6 | P1958 L1981 A2033 E2034 N2035 | P1958-P1987 HydrophobicContact CB-CB 3.97Å; P1958-P1987 HydrophobicContact CB-CG 4.2Å; P1958-P1987 HydrophobicContact CG-CB 3.95Å; L1981-P1987 HydrophobicContact CD1-CG 3.35Å; P1987-A2033 HydrophobicContact CB-CB 4.18Å; P1987-A2033 HydrophobicContact CG-CB 4.39Å; P1987-E2034 CarbonylContact C-O 3.43Å; P1987-E2034 VanDerWaalsContact CA-O 3.3Å; P1987-E2034 WeakPolarHBondContact CA-O 3.34Å; P1987-N2035 HydrophobicContact CB-CB 4.15Å |
| 1988 | V | 80.9 | Confident | 82.9 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 132 | 166.6 | -179.4 | 0 | 0 | 0 | 0 | 108 | A2033 E2034 | V1988-A2033 CarbonylContact O-C 3.49Å; V1988-A2033 WeakPolarHBondContact O-CA 3.4Å; V1988-E2034 PolarHBondContact N-O 2.89Å; V1988-E2034 PolarHBondContact O-N 3.3Å |
| 1989 | V | 87 | Confident | 82.3 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 17% | 0.17 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.5 | -173.3 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | L1981 Y2014 V2031 T2032 A2033 | L1981-V1989 HydrophobicContact CD1-CG2 3.99Å; L1981-V1989 HydrophobicContact CD2-CG1 4.46Å; L1981-V1989 HydrophobicContact CD2-CG2 3.99Å; V1989-Y2014 HydrophobicContact CB-CD1 3.95Å; V1989-Y2014 HydrophobicContact CB-CE1 3.63Å; V1989-Y2014 HydrophobicContact CG1-CD1 3.81Å; V1989-Y2014 HydrophobicContact CG1-CE1 4.02Å; V1989-Y2014 HydrophobicContact CG1-CG 4.34Å; V1989-Y2014 HydrophobicContact CG2-CD1 4.04Å; V1989-Y2014 HydrophobicContact CG2-CE1 3.41Å; V1989-Y2014 VanDerWaalsContact CG2-CE1 3.41Å; V1989-Y2014 HydrophobicContact CG2-CE2 4.22Å; V1989-V2031 HydrophobicContact CG1-CG2 3.43Å; V1989-V2031 VanDerWaalsContact CG1-CG2 3.43Å; V1989-T2032 CarbonylContact C-O 3.53Å; V1989-T2032 WeakPolarHBondContact CA-O 3.43Å; V1989-A2033 HydrophobicContact CG2-CB 4.14Å |
| 1990 | Q | 83.8 | Confident | 81.7 | Confident | 77 Ų | 77 | 60.7 Ų | 60.7 | 36% | 0.36 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123.8 | -177.6 | -70.4 | -177.7 | 2 | 0 | 0 | 110.1 | L1997 V2031 T2032 | Q1990-L1997 HydrophobicContact CB-CD1 3.85Å; Q1990-L1997 HydrophobicContact CG-CD1 4.17Å; Q1990-V2031 CarbonylContact O-C 3.54Å; Q1990-V2031 WeakPolarHBondContact O-CA 3.44Å; Q1990-T2032 PolarHBondContact N-O 3Å; Q1990-T2032 PolarHBondContact O-N 3.26Å |
| 1991 | W | 88.5 | Confident | 80.2 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 145.5 | 170.7 | -69.8 | 84.8 | 0 | 0 | 0 | 111.5 | F1964 L1977 L1997 L1998 L2000 M2007 L2016 E2030 V2031 | F1964-W1991 HydrophobicContact CD1-CH2 4.34Å; F1964-W1991 HydrophobicContact CD1-CZ3 4.47Å; F1964-W1991 HydrophobicContact CE1-CH2 4.18Å; F1964-W1991 AromaticContact CE1-CZ3 3.96Å; F1964-W1991 HydrophobicContact CE1-CZ3 3.96Å; F1964-W1991 HydrophobicContact CE2-CZ3 4.16Å; F1964-W1991 HydrophobicContact CZ-CH2 4.43Å; F1964-W1991 AromaticContact CZ-CZ3 3.78Å; F1964-W1991 HydrophobicContact CZ-CZ3 3.78Å; L1977-W1991 HydrophobicContact CB-CH2 4.18Å; L1977-W1991 HydrophobicContact CB-CZ3 4.27Å; W1991-L1997 WeakPolarHBondContact O-CD1 3.4Å; W1991-L1998 HydrophobicContact CB-CB 4.32Å; W1991-L1998 HydrophobicContact CB-CD1 4.05Å; W1991-L1998 PolarHBondContact O-N 2.94Å; W1991-L2000 HydrophobicContact CB-CD1 3.75Å; W1991-L2000 HydrophobicContact CG-CD1 3.9Å; W1991-M2007 VanDerWaalsContact CD1-SD 3.55Å; W1991-M2007 PolarHBondContact NE1-SD 2.85Å; W1991-L2016 HydrophobicContact CD2-CB 4.14Å; W1991-L2016 HydrophobicContact CD2-CD1 4.28Å; W1991-L2016 HydrophobicContact CD2-CD2 4.21Å; W1991-L2016 HydrophobicContact CD2-CG 4.46Å; W1991-L2016 HydrophobicContact CE3-CB 4.11Å; W1991-L2016 HydrophobicContact CE3-CD2 3.78Å; W1991-L2016 HydrophobicContact CE3-CG 4.41Å; W1991-L2016 HydrophobicContact CG-CD1 4.33Å; W1991-L2016 HydrophobicContact CH2-CB 3.78Å; W1991-L2016 HydrophobicContact CZ2-CB 3.8Å; W1991-L2016 HydrophobicContact CZ3-CB 3.93Å; W1991-L2016 HydrophobicContact CZ3-CD2 4.09Å; W1991-E2030 CarbonylContact C-O 3.51Å; W1991-E2030 WeakPolarHBondContact CA-O 3.4Å; W1991-V2031 HydrophobicContact CD2-CB 3.8Å; W1991-V2031 HydrophobicContact CD2-CG2 3.63Å; W1991-V2031 HydrophobicContact CE3-CB 3.8Å; W1991-V2031 HydrophobicContact CE3-CG2 4.18Å; W1991-V2031 HydrophobicContact CG-CB 4.38Å; W1991-V2031 HydrophobicContact CG-CG2 3.88Å; W1991-V2031 HydrophobicContact CH2-CB 4.22Å; W1991-V2031 HydrophobicContact CZ2-CB 4.2Å; W1991-V2031 HydrophobicContact CZ2-CG2 4.01Å; W1991-V2031 HydrophobicContact CZ3-CB 4.02Å |
| 1992 | R | 89.9 | Confident | 79.3 | Confident | 51 Ų | 51 | 68.6 Ų | 68.6 | 19% | 0.192 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 150 | 171.8 | -55.9 | -171.7 | -177.4 | 100.1 | 18.6 | 110.3 | K1996 L1997 Y2029 E2030 T2032 | R1992-K1996 CarbonylContact C-O 3.56Å; R1992-K1996 WeakPolarHBondContact CA-O 3.46Å; R1992-K1996 VanDerWaalsContact CB-O 3.32Å; R1992-K1996 WeakPolarHBondContact CB-O 3.32Å; R1992-L1997 HydrophobicContact CG-CD1 4.44Å; R1992-Y2029 WeakPolarHBondContact O-CA 3.49Å; R1992-E2030 HydrophobicContact CB-CB 4.33Å; R1992-E2030 WeakPolarHBondContact CD-OE1 2.94Å; R1992-E2030 IonicContact CZ-OE1 3.18Å; R1992-E2030 PolarHBondContact N-O 3.37Å; R1992-E2030 IonicContact NE-OE1 2.68Å; R1992-E2030 IonicContact NH1-OE1 2.73Å; R1992-E2030 PolarHBondContact NH1-OE1 2.96Å; R1992-E2030 PolarHBondContact O-N 3.3Å; R1992-T2032 PolarHBondContact NH1-OG1 3.46Å |
| 1993 | F | 90 | Very high | 78.5 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 16% | 0.158 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.7 | 169.4 | 172.6 | -121.2 | 0 | 0 | 0 | 108.7 | G1995 K1996 L1998 N2024 D2025 T2026 Y2029 | F1993-G1995 PolarHBondContact O-N 3.48Å; F1993-G1995 VanDerWaalsContact O-N 3.15Å; F1993-K1996 PolarHBondContact N-O 3.43Å; F1993-K1996 PolarHBondContact O-N 2.81Å; F1993-L1998 HydrophobicContact CB-CD1 4.06Å; F1993-L1998 HydrophobicContact CB-CD2 3.75Å; F1993-L1998 HydrophobicContact CB-CG 3.89Å; F1993-N2024 WeakPolarHBondContact CE1-O 3.32Å; F1993-N2024 VanDerWaalsContact CZ-O 3.28Å; F1993-N2024 WeakPolarHBondContact CZ-O 3.37Å; F1993-D2025 VanDerWaalsContact CE2-O 3.29Å; F1993-D2025 WeakPolarHBondContact CE2-O 3.49Å; F1993-T2026 WeakPolarHBondContact CZ-O 3.49Å; F1993-Y2029 HydrophobicContact CB-CD1 4.29Å; F1993-Y2029 HydrophobicContact CB-CE1 4.01Å; F1993-Y2029 HydrophobicContact CD2-CD1 4.15Å; F1993-Y2029 AromaticContact CD2-CD2 3.83Å; F1993-Y2029 HydrophobicContact CD2-CD2 3.83Å; F1993-Y2029 AromaticContact CD2-CE1 3.7Å; F1993-Y2029 HydrophobicContact CD2-CE1 3.7Å; F1993-Y2029 AromaticContact CD2-CE2 3.32Å; F1993-Y2029 HydrophobicContact CD2-CE2 3.32Å; F1993-Y2029 HydrophobicContact CD2-CG 4.21Å; F1993-Y2029 AromaticContact CD2-CZ 3.24Å; F1993-Y2029 HydrophobicContact CE2-CD2 4.21Å; F1993-Y2029 HydrophobicContact CE2-CE1 4.46Å; F1993-Y2029 AromaticContact CE2-CE2 3.43Å; F1993-Y2029 HydrophobicContact CE2-CE2 3.43Å; F1993-Y2029 VanDerWaalsContact CE2-CE2 3.43Å; F1993-Y2029 AromaticContact CE2-CZ 3.58Å; F1993-Y2029 HydrophobicContact CG-CE1 4.08Å; F1993-Y2029 HydrophobicContact CG-CE2 4.42Å; F1993-Y2029 AromaticContact CG-CZ 3.95Å |
| 1994 | N | 84.9 | Confident | 78.3 | Confident | 90 Ų | 90 | 76.5 Ų | 76.5 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 43.1 | -176.4 | -69.6 | -33.8 | 0 | 0 | 0 | 112.5 | K1996 G2027 R2028 | N1994-K1996 VanDerWaalsContact C-N 3.26Å; N1994-K1996 PolarHBondContact O-N 3.34Å; N1994-G2027 VanDerWaalsContact OD1-CA 3.27Å; N1994-G2027 WeakPolarHBondContact OD1-CA 3.38Å; N1994-R2028 PolarHBondContact N-O 3.14Å; N1994-R2028 PolarHBondContact OD1-N 2.92Å |
| 1995 | G | 77.3 | Confident | 78.4 | Confident | 63 Ų | 63 | 74.8 Ų | 74.8 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -10.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | F1993 | F1993-G1995 PolarHBondContact O-N 3.48Å; F1993-G1995 VanDerWaalsContact O-N 3.15Å |
| 1996 | K | 78.8 | Confident | 77.8 | Confident | 164 Ų | 164 | 74.3 Ų | 74.3 | 71% | 0.713 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138.5 | 176.1 | -64.4 | 178.7 | -179 | 175.2 | 0 | 110.6 | R1992 F1993 N1994 L1998 | R1992-K1996 CarbonylContact C-O 3.56Å; R1992-K1996 WeakPolarHBondContact CA-O 3.46Å; R1992-K1996 VanDerWaalsContact CB-O 3.32Å; R1992-K1996 WeakPolarHBondContact CB-O 3.32Å; F1993-K1996 PolarHBondContact N-O 3.43Å; F1993-K1996 PolarHBondContact O-N 2.81Å; N1994-K1996 VanDerWaalsContact C-N 3.26Å; N1994-K1996 PolarHBondContact O-N 3.34Å; K1996-L1998 PolarHBondContact O-N 3.34Å |
| 1997 | L | 80.1 | Confident | 77.9 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 48% | 0.482 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 133.6 | 173.4 | -167.1 | 75.8 | 0 | 0 | 0 | 110.5 | Q1990 W1991 R1992 | Q1990-L1997 HydrophobicContact CB-CD1 3.85Å; Q1990-L1997 HydrophobicContact CG-CD1 4.17Å; W1991-L1997 WeakPolarHBondContact O-CD1 3.4Å; R1992-L1997 HydrophobicContact CG-CD1 4.44Å |
| 1998 | L | 81.5 | Confident | 77.5 | Confident | 32 Ų | 32 | 73.8 Ų | 73.8 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -84 | 120.7 | 172.1 | -74.8 | 171.8 | 0 | 0 | 0 | 109.4 | W1991 F1993 K1996 L2000 L2016 Y2029 | W1991-L1998 HydrophobicContact CB-CB 4.32Å; W1991-L1998 HydrophobicContact CB-CD1 4.05Å; W1991-L1998 PolarHBondContact O-N 2.94Å; F1993-L1998 HydrophobicContact CB-CD1 4.06Å; F1993-L1998 HydrophobicContact CB-CD2 3.75Å; F1993-L1998 HydrophobicContact CB-CG 3.89Å; K1996-L1998 PolarHBondContact O-N 3.34Å; L1998-L2000 HydrophobicContact CB-CD1 4.06Å; L1998-L2000 HydrophobicContact CB-CD2 4.2Å; L1998-L2000 HydrophobicContact CB-CG 3.85Å; L1998-L2000 PolarHBondContact O-N 2.91Å; L1998-L2016 HydrophobicContact CD1-CD1 4.48Å; L1998-L2016 HydrophobicContact CD1-CD2 3.97Å; L1998-Y2029 HydrophobicContact CD1-CD1 4.09Å; L1998-Y2029 HydrophobicContact CD1-CE1 3.97Å |
| 1999 | N | 71.3 | Confident | 77 | Confident | 133 Ų | 133 | 73.2 Ų | 73.2 | 71% | 0.711 | 38% | 0.379 | S | S | * | . | trans | -76.7 | 89.9 | 172.9 | -69.6 | -9.8 | 0 | 0 | 0 | 108.9 | T2002 | N1999-T2002 WeakPolarHBondContact O-CG2 3.37Š| ||
| 2000 | L | 69.7 | Low | 75.7 | Confident | 51 Ų | 51 | 75.6 Ų | 75.6 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -100.5 | 143.8 | -174.8 | -63.5 | 166.6 | 0 | 0 | 0 | 111.7 | W1991 L1998 I2005 M2007 L2016 | W1991-L2000 HydrophobicContact CB-CD1 3.75Å; W1991-L2000 HydrophobicContact CG-CD1 3.9Å; L1998-L2000 HydrophobicContact CB-CD1 4.06Å; L1998-L2000 HydrophobicContact CB-CD2 4.2Å; L1998-L2000 HydrophobicContact CB-CG 3.85Å; L1998-L2000 PolarHBondContact O-N 2.91Å; L2000-I2005 HydrophobicContact CD2-CB 4.36Å; L2000-I2005 HydrophobicContact CD2-CG2 3.76Å; L2000-I2005 WeakPolarHBondContact CD2-O 3.46Å; L2000-M2007 HydrophobicContact CD1-CB 4.18Å; L2000-L2016 HydrophobicContact CD1-CD1 3.59Å; L2000-L2016 HydrophobicContact CD2-CD1 3.7Å; L2000-L2016 HydrophobicContact CG-CD1 4.32Å |
| 2001 | P | 52.5 | Low | 74.8 | Confident | 103 Ų | 103 | 75.2 Ų | 75.2 | 67% | 0.669 | 39% | 0.388 | S | S | * | . | cis | -80.2 | 158.7 | -7 | 34.4 | -35.5 | 0 | 0 | 0 | 113.2 | F2006 | P2001-F2006 HydrophobicContact CB-CB 3.81Š| ||
| 2002 | T | 68.2 | Low | 74.2 | Confident | 70 Ų | 70 | 77.8 Ų | 77.8 | 43% | 0.429 | 40% | 0.402 | S | S | . | . | trans | -120.9 | 166.1 | 163.3 | 66.7 | 0 | 0 | 0 | 0 | 109 | N1999 R2004 I2005 | N1999-T2002 WeakPolarHBondContact O-CG2 3.37Å; T2002-R2004 PolarHBondContact O-N 3.44Å; T2002-R2004 VanDerWaalsContact O-N 3.08Å; T2002-I2005 PolarHBondContact N-O 3.42Å; T2002-I2005 WeakPolarHBondContact OG1-CA 3.26Å; T2002-I2005 PolarHBondContact OG1-N 3.01Å; T2002-I2005 PolarHBondContact OG1-O 2.81Å | ||
| 2003 | E | 65 | Low | 73.6 | Confident | 202 Ų | 202 | 78 Ų | 78 | 94% | 0.944 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -54.3 | -29.4 | 178.1 | -61.2 | 179.8 | 156.2 | 0 | 0 | 113.9 | ||
| 2004 | R | 77.6 | Confident | 73.3 | Confident | 78 Ų | 78 | 76.4 Ų | 76.4 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -111.9 | -29 | -173.4 | -163.3 | 177.4 | 65 | 76 | 1.4 | 113.9 | T2002 Y2019 D2025 | T2002-R2004 PolarHBondContact O-N 3.44Å; T2002-R2004 VanDerWaalsContact O-N 3.08Å; R2004-Y2019 WeakPolarHBondContact CD-O 3.42Å; R2004-Y2019 WeakPolarHBondContact CG-O 2.96Å; R2004-Y2019 PolarHBondContact NH1-O 3.09Å; R2004-Y2019 PolarHBondContact O-N 3.22Å; R2004-D2025 IonicContact CZ-OD1 2.76Å; R2004-D2025 IonicContact CZ-OD2 2.96Å; R2004-D2025 VanDerWaalsContact CZ-OD2 3.3Å; R2004-D2025 IonicContact NH1-OD1 2.63Å; R2004-D2025 PolarHBondContact NH1-OD1 3.32Å; R2004-D2025 IonicContact NH1-OD2 3.46Å; R2004-D2025 PolarHBondContact NH1-OD2 2.67Å; R2004-D2025 VanDerWaalsContact NH2-CG 3.33Å; R2004-D2025 IonicContact NH2-OD1 2.68Å; R2004-D2025 PolarHBondContact NH2-OD1 3.21Å; R2004-D2025 IonicContact NH2-OD2 2.93Å; R2004-D2025 PolarHBondContact NH2-OD2 2.9Å; R2004-D2025 VanDerWaalsContact NH2-OD2 3.15Å |
| 2005 | I | 80.8 | Confident | 73.2 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 116.7 | 177.6 | -49 | -177.9 | 0 | 0 | 0 | 109.3 | L2000 T2002 L2016 F2017 I2018 | L2000-I2005 HydrophobicContact CD2-CB 4.36Å; L2000-I2005 HydrophobicContact CD2-CG2 3.76Å; L2000-I2005 WeakPolarHBondContact CD2-O 3.46Å; T2002-I2005 PolarHBondContact N-O 3.42Å; T2002-I2005 WeakPolarHBondContact OG1-CA 3.26Å; T2002-I2005 PolarHBondContact OG1-N 3.01Å; T2002-I2005 PolarHBondContact OG1-O 2.81Å; I2005-L2016 HydrophobicContact CG2-CD1 3.77Å; I2005-L2016 HydrophobicContact CG2-CD2 4.31Å; I2005-L2016 HydrophobicContact CG2-CG 4.05Å; I2005-F2017 VanDerWaalsContact CA-O 3.28Å; I2005-F2017 WeakPolarHBondContact CA-O 3.31Å; I2005-F2017 WeakPolarHBondContact CG2-O 3.41Å; I2005-I2018 HydrophobicContact CD1-CG1 4.3Å; I2005-I2018 HydrophobicContact CD1-CG2 4.49Å; I2005-I2018 HydrophobicContact CG1-CB 4.46Å; I2005-I2018 HydrophobicContact CG1-CG1 4.12Å; I2005-I2018 HydrophobicContact CG1-CG2 4.17Å; I2005-I2018 HydrophobicContact CG2-CG1 3.95Å |
| 2006 | F | 69.4 | Low | 73.7 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 160.4 | -178.2 | 70.8 | -74.3 | 0 | 0 | 0 | 111.2 | P2001 I2008 F2017 Y2019 | P2001-F2006 HydrophobicContact CB-CB 3.81Å; F2006-I2008 HydrophobicContact CD2-CG1 4.25Å; F2006-I2008 HydrophobicContact CE2-CD1 4.07Å; F2006-I2008 HydrophobicContact CE2-CG1 3.82Å; F2006-F2017 HydrophobicContact CD1-CB 3.81Å; F2006-F2017 HydrophobicContact CE1-CB 3.21Å; F2006-F2017 HydrophobicContact CE1-CD2 4.35Å; F2006-F2017 AromaticContact CE1-CG 3.94Å; F2006-F2017 HydrophobicContact CE1-CG 3.94Å; F2006-F2017 HydrophobicContact CE2-CB 4.21Å; F2006-F2017 AromaticContact CE2-CD2 3.91Å; F2006-F2017 HydrophobicContact CE2-CD2 3.91Å; F2006-F2017 HydrophobicContact CE2-CG 4.32Å; F2006-F2017 HydrophobicContact CG-CB 4.49Å; F2006-F2017 HydrophobicContact CZ-CB 3.45Å; F2006-F2017 VanDerWaalsContact CZ-CB 3.45Å; F2006-F2017 AromaticContact CZ-CD2 3.68Å; F2006-F2017 HydrophobicContact CZ-CD2 3.68Å; F2006-F2017 AromaticContact CZ-CG 3.65Å; F2006-F2017 HydrophobicContact CZ-CG 3.65Å; F2006-F2017 PolarHBondContact N-O 2.94Å; F2006-F2017 VanDerWaalsContact N-O 3.07Å; F2006-F2017 PolarHBondContact O-N 3.32Å; F2006-Y2019 HydrophobicContact CD1-CD2 4.23Å; F2006-Y2019 AromaticContact CD1-CE2 3.95Å; F2006-Y2019 HydrophobicContact CD1-CE2 3.95Å; F2006-Y2019 AromaticContact CE1-CD2 3.71Å; F2006-Y2019 HydrophobicContact CE1-CD2 3.71Å; F2006-Y2019 HydrophobicContact CE1-CE1 4.2Å; F2006-Y2019 AromaticContact CE1-CE2 3.16Å; F2006-Y2019 HydrophobicContact CE1-CE2 3.16Å; F2006-Y2019 HydrophobicContact CE1-CG 4.43Å; F2006-Y2019 AromaticContact CE1-CZ 3.43Å; F2006-Y2019 VanDerWaalsContact CE1-CZ 3.43Å; F2006-Y2019 AromaticContact CZ-CE2 3.82Å; F2006-Y2019 HydrophobicContact CZ-CE2 3.82Å; F2006-Y2019 AromaticContact CZ-CZ 3.7Å; F2006-Y2019 WeakPolarHBondContact CZ-OH 3.46Å |
| 2007 | M | 78 | Confident | 74 | Confident | 58 Ų | 58 | 64.5 Ų | 64.5 | 29% | 0.286 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.9 | 180 | 179 | -172.8 | 71.6 | 0 | 0 | 110.3 | W1991 L2000 Q2009 Y2014 I2015 L2016 | W1991-M2007 VanDerWaalsContact CD1-SD 3.55Å; W1991-M2007 PolarHBondContact NE1-SD 2.85Å; L2000-M2007 HydrophobicContact CD1-CB 4.18Å; M2007-Q2009 HydrophobicContact CE-CB 4.42Å; M2007-Y2014 HydrophobicContact CE-CD1 4.48Å; M2007-Y2014 HydrophobicContact SD-CD1 3.94Å; M2007-I2015 CarbonylContact C-O 3.56Å; M2007-I2015 VanDerWaalsContact CA-O 3.29Å; M2007-I2015 WeakPolarHBondContact CA-O 3.33Å; M2007-L2016 HydrophobicContact CB-CD1 4.46Å |
| 2008 | I | 71.3 | Confident | 74.4 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 133.9 | 164.3 | -52.9 | -172.9 | 0 | 0 | 0 | 108.3 | F2006 N2010 Y2014 I2015 F2017 | F2006-I2008 HydrophobicContact CD2-CG1 4.25Å; F2006-I2008 HydrophobicContact CE2-CD1 4.07Å; F2006-I2008 HydrophobicContact CE2-CG1 3.82Å; I2008-N2010 WeakPolarHBondContact CG2-OD1 3.33Å; I2008-Y2014 WeakPolarHBondContact O-CA 3.22Å; I2008-I2015 HydrophobicContact CB-CB 4.46Å; I2008-I2015 PolarHBondContact N-O 3.27Å; I2008-I2015 PolarHBondContact O-N 3.39Å; I2008-F2017 HydrophobicContact CD1-CD2 4.17Å; I2008-F2017 HydrophobicContact CD1-CE2 3.7Å; I2008-F2017 HydrophobicContact CG1-CD2 4.22Å; I2008-F2017 HydrophobicContact CG1-CE2 4.15Å |
| 2009 | Q | 72.1 | Confident | 74.4 | Confident | 86 Ų | 86 | 63.9 Ų | 63.9 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 101.8 | 175.8 | 178.1 | -177.9 | 10.9 | 0 | 0 | 110 | K1986 M2007 E2013 Y2014 | K1986-Q2009 VanDerWaalsContact CE-NE2 3.27Å; M2007-Q2009 HydrophobicContact CE-CB 4.42Å; Q2009-E2013 CarbonylContact C-O 3.55Å; Q2009-E2013 WeakPolarHBondContact CA-O 3.41Å; Q2009-Y2014 HydrophobicContact CB-CD1 4.17Å; Q2009-Y2014 HydrophobicContact CB-CE1 4.22Å; Q2009-Y2014 HydrophobicContact CG-CD1 3.83Å; Q2009-Y2014 HydrophobicContact CG-CE1 3.43Å; Q2009-Y2014 VanDerWaalsContact CG-CE1 3.43Å; Q2009-Y2014 VanDerWaalsContact NE2-CZ 3.3Å; Q2009-Y2014 PolarHBondContact NE2-OH 3.04Å |
| 2010 | N | 58.9 | Low | 74.7 | Confident | 78 Ų | 78 | 62.7 Ų | 62.7 | 42% | 0.417 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 94.7 | 178.1 | -75.7 | 6.5 | 0 | 0 | 0 | 109.6 | I2008 N2012 E2013 | I2008-N2010 WeakPolarHBondContact CG2-OD1 3.33Å; N2010-N2012 VanDerWaalsContact C-N 3.34Å; N2010-N2012 PolarHBondContact O-N 3.37Å; N2010-E2013 PolarHBondContact N-O 2.74Å; N2010-E2013 PolarHBondContact O-N 3.28Å |
| 2011 | K | 64.7 | Low | 75.4 | Confident | 69 Ų | 69 | 60.3 Ų | 60.3 | 30% | 0.3 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -83.2 | -175.3 | -59.7 | -179.5 | 177.4 | 178.7 | 0 | 114.2 | S1380 L1401 E1402 K1986 | S1380-K2011 WeakPolarHBondContact OG-CE 3.38Å; S1380-K2011 PolarHBondContact OG-NZ 3.09Å; L1401-K2011 PolarHBondContact O-NZ 3.49Å; E1402-K2011 WeakPolarHBondContact OE1-CE 3.05Å; E1402-K2011 VanDerWaalsContact OE1-CG 3.26Å; E1402-K2011 WeakPolarHBondContact OE1-CG 3.39Å; E1402-K2011 WeakPolarHBondContact OE2-CE 3.43Å; K1986-K2011 WeakPolarHBondContact CE-O 3.36Å |
| 2012 | N | 77 | Confident | 76.8 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 32% | 0.316 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -20.7 | -179.2 | -72.2 | 20.6 | 0 | 0 | 0 | 112.2 | S1980 L1981 K1982 N2010 Y2014 | S1980-N2012 CarbonylContact C-O 3.57Å; S1980-N2012 VanDerWaalsContact CA-O 3.3Å; S1980-N2012 WeakPolarHBondContact CA-O 3.3Å; S1980-N2012 PolarHBondContact OG-O 2.81Å; L1981-N2012 PolarHBondContact N-O 3.3Å; L1981-N2012 VanDerWaalsContact O-CB 3.24Å; L1981-N2012 WeakPolarHBondContact O-CB 3.34Å; L1981-N2012 VanDerWaalsContact O-CG 3.29Å; K1982-N2012 WeakPolarHBondContact CG-ND2 3.41Å; N2010-N2012 VanDerWaalsContact C-N 3.34Å; N2010-N2012 PolarHBondContact O-N 3.37Å; N2012-Y2014 WeakPolarHBondContact O-CD2 3.48Å; N2012-Y2014 WeakPolarHBondContact O-CE2 3.17Å |
| 2013 | E | 76.1 | Confident | 77.4 | Confident | 56 Ų | 56 | 58.9 Ų | 58.9 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 134.5 | 177.8 | -59.3 | -161.8 | 155.8 | 0 | 0 | 110.9 | K1978 C1979 Q2009 N2010 | K1978-E2013 VanDerWaalsContact CE-CD 3.41Å; K1978-E2013 VanDerWaalsContact CE-OE1 3.23Å; K1978-E2013 WeakPolarHBondContact CE-OE1 2.8Å; K1978-E2013 VanDerWaalsContact CE-OE2 3.31Å; K1978-E2013 WeakPolarHBondContact CE-OE2 3.31Å; K1978-E2013 IonicContact NZ-OE1 2.78Å; K1978-E2013 PolarHBondContact NZ-OE1 2.8Å; K1978-E2013 IonicContact NZ-OE2 2.76Å; K1978-E2013 PolarHBondContact NZ-OE2 2.91Å; C1979-E2013 WeakPolarHBondContact O-CA 3.46Å; Q2009-E2013 CarbonylContact C-O 3.55Å; Q2009-E2013 WeakPolarHBondContact CA-O 3.41Å; N2010-E2013 PolarHBondContact N-O 2.74Å; N2010-E2013 PolarHBondContact O-N 3.28Å |
| 2014 | Y | 83.2 | Confident | 78.3 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 118.8 | 176.4 | -61 | -107.5 | 0 | 0 | 0 | 107.3 | C1979 L1981 V1989 M2007 I2008 Q2009 N2012 | C1979-Y2014 PolarHBondContact N-O 2.9Å; C1979-Y2014 PolarHBondContact O-N 3.21Å; C1979-Y2014 PolarHBondContact SG-O 2.91Å; L1981-Y2014 HydrophobicContact CD1-CD2 4.31Å; L1981-Y2014 HydrophobicContact CD1-CE2 3.6Å; L1981-Y2014 HydrophobicContact CD2-CD2 3.47Å; L1981-Y2014 VanDerWaalsContact CD2-CD2 3.47Å; L1981-Y2014 HydrophobicContact CD2-CE2 3.63Å; L1981-Y2014 HydrophobicContact CD2-CG 4.17Å; L1981-Y2014 HydrophobicContact CG-CD2 3.67Å; L1981-Y2014 HydrophobicContact CG-CE2 3.43Å; L1981-Y2014 VanDerWaalsContact CG-CE2 3.43Å; V1989-Y2014 HydrophobicContact CB-CD1 3.95Å; V1989-Y2014 HydrophobicContact CB-CE1 3.63Å; V1989-Y2014 HydrophobicContact CG1-CD1 3.81Å; V1989-Y2014 HydrophobicContact CG1-CE1 4.02Å; V1989-Y2014 HydrophobicContact CG1-CG 4.34Å; V1989-Y2014 HydrophobicContact CG2-CD1 4.04Å; V1989-Y2014 HydrophobicContact CG2-CE1 3.41Å; V1989-Y2014 VanDerWaalsContact CG2-CE1 3.41Å; V1989-Y2014 HydrophobicContact CG2-CE2 4.22Å; M2007-Y2014 HydrophobicContact CE-CD1 4.48Å; M2007-Y2014 HydrophobicContact SD-CD1 3.94Å; I2008-Y2014 WeakPolarHBondContact O-CA 3.22Å; Q2009-Y2014 HydrophobicContact CB-CD1 4.17Å; Q2009-Y2014 HydrophobicContact CB-CE1 4.22Å; Q2009-Y2014 HydrophobicContact CG-CD1 3.83Å; Q2009-Y2014 HydrophobicContact CG-CE1 3.43Å; Q2009-Y2014 VanDerWaalsContact CG-CE1 3.43Å; Q2009-Y2014 VanDerWaalsContact NE2-CZ 3.3Å; Q2009-Y2014 PolarHBondContact NE2-OH 3.04Å; N2012-Y2014 WeakPolarHBondContact O-CD2 3.48Å; N2012-Y2014 WeakPolarHBondContact O-CE2 3.17Å |
| 2015 | I | 82.6 | Confident | 78.8 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 111 | -174.2 | -49 | 177.6 | 0 | 0 | 0 | 108.4 | C1976 L1977 K1978 M2007 I2008 F2017 | C1976-I2015 WeakPolarHBondContact SG-CG2 3.48Å; L1977-I2015 WeakPolarHBondContact O-CA 3.36Å; K1978-I2015 HydrophobicContact CB-CG1 4.13Å; K1978-I2015 HydrophobicContact CB-CG2 4.27Å; K1978-I2015 HydrophobicContact CD-CD1 4.1Å; K1978-I2015 HydrophobicContact CD-CG1 4.16Å; K1978-I2015 HydrophobicContact CG-CG1 4.04Å; M2007-I2015 CarbonylContact C-O 3.56Å; M2007-I2015 VanDerWaalsContact CA-O 3.29Å; M2007-I2015 WeakPolarHBondContact CA-O 3.33Å; I2008-I2015 HydrophobicContact CB-CB 4.46Å; I2008-I2015 PolarHBondContact N-O 3.27Å; I2008-I2015 PolarHBondContact O-N 3.39Å; I2015-F2017 HydrophobicContact CB-CD2 4.42Å; I2015-F2017 HydrophobicContact CB-CE2 4.06Å; I2015-F2017 HydrophobicContact CG2-CD2 3.77Å; I2015-F2017 HydrophobicContact CG2-CE2 3.37Å; I2015-F2017 HydrophobicContact CG2-CZ 3.87Å |
| 2016 | L | 88.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 118.4 | 169.9 | -169.3 | 76.6 | 0 | 0 | 0 | 109.1 | C1976 L1977 W1991 L1998 L2000 I2005 M2007 Y2029 | C1976-L2016 WeakPolarHBondContact CA-O 3.47Å; L1977-L2016 HydrophobicContact CB-CB 4.33Å; L1977-L2016 HydrophobicContact CD1-CD2 4.44Å; L1977-L2016 PolarHBondContact N-O 3.15Å; L1977-L2016 PolarHBondContact O-N 3.27Å; W1991-L2016 HydrophobicContact CD2-CB 4.14Å; W1991-L2016 HydrophobicContact CD2-CD1 4.28Å; W1991-L2016 HydrophobicContact CD2-CD2 4.21Å; W1991-L2016 HydrophobicContact CD2-CG 4.46Å; W1991-L2016 HydrophobicContact CE3-CB 4.11Å; W1991-L2016 HydrophobicContact CE3-CD2 3.78Å; W1991-L2016 HydrophobicContact CE3-CG 4.41Å; W1991-L2016 HydrophobicContact CG-CD1 4.33Å; W1991-L2016 HydrophobicContact CH2-CB 3.78Å; W1991-L2016 HydrophobicContact CZ2-CB 3.8Å; W1991-L2016 HydrophobicContact CZ3-CB 3.93Å; W1991-L2016 HydrophobicContact CZ3-CD2 4.09Å; L1998-L2016 HydrophobicContact CD1-CD1 4.48Å; L1998-L2016 HydrophobicContact CD1-CD2 3.97Å; L2000-L2016 HydrophobicContact CD1-CD1 3.59Å; L2000-L2016 HydrophobicContact CD2-CD1 3.7Å; L2000-L2016 HydrophobicContact CG-CD1 4.32Å; I2005-L2016 HydrophobicContact CG2-CD1 3.77Å; I2005-L2016 HydrophobicContact CG2-CD2 4.31Å; I2005-L2016 HydrophobicContact CG2-CG 4.05Å; M2007-L2016 HydrophobicContact CB-CD1 4.46Å; L2016-Y2029 HydrophobicContact CD2-CD1 3.57Å; L2016-Y2029 HydrophobicContact CD2-CE1 3.76Å |
| 2017 | F | 84.7 | Confident | 79.9 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 20% | 0.202 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 139.8 | 171 | -77.9 | -85.2 | 0 | 0 | 0 | 110.4 | T1974 V1975 C1976 I2005 F2006 I2008 I2015 | T1974-F2017 HydrophobicContact CG2-CD1 4.08Å; V1975-F2017 CarbonylContact O-C 3.57Å; V1975-F2017 WeakPolarHBondContact O-CA 3.34Å; C1976-F2017 HydrophobicContact CB-CD1 4.07Å; C1976-F2017 HydrophobicContact CB-CE1 3.88Å; I2005-F2017 VanDerWaalsContact CA-O 3.28Å; I2005-F2017 WeakPolarHBondContact CA-O 3.31Å; I2005-F2017 WeakPolarHBondContact CG2-O 3.41Å; F2006-F2017 HydrophobicContact CD1-CB 3.81Å; F2006-F2017 HydrophobicContact CE1-CB 3.21Å; F2006-F2017 HydrophobicContact CE1-CD2 4.35Å; F2006-F2017 AromaticContact CE1-CG 3.94Å; F2006-F2017 HydrophobicContact CE1-CG 3.94Å; F2006-F2017 HydrophobicContact CE2-CB 4.21Å; F2006-F2017 AromaticContact CE2-CD2 3.91Å; F2006-F2017 HydrophobicContact CE2-CD2 3.91Å; F2006-F2017 HydrophobicContact CE2-CG 4.32Å; F2006-F2017 HydrophobicContact CG-CB 4.49Å; F2006-F2017 HydrophobicContact CZ-CB 3.45Å; F2006-F2017 VanDerWaalsContact CZ-CB 3.45Å; F2006-F2017 AromaticContact CZ-CD2 3.68Å; F2006-F2017 HydrophobicContact CZ-CD2 3.68Å; F2006-F2017 AromaticContact CZ-CG 3.65Å; F2006-F2017 HydrophobicContact CZ-CG 3.65Å; F2006-F2017 PolarHBondContact N-O 2.94Å; F2006-F2017 VanDerWaalsContact N-O 3.07Å; F2006-F2017 PolarHBondContact O-N 3.32Å; I2008-F2017 HydrophobicContact CD1-CD2 4.17Å; I2008-F2017 HydrophobicContact CD1-CE2 3.7Å; I2008-F2017 HydrophobicContact CG1-CD2 4.22Å; I2008-F2017 HydrophobicContact CG1-CE2 4.15Å; I2015-F2017 HydrophobicContact CB-CD2 4.42Å; I2015-F2017 HydrophobicContact CB-CE2 4.06Å; I2015-F2017 HydrophobicContact CG2-CD2 3.77Å; I2015-F2017 HydrophobicContact CG2-CE2 3.37Å; I2015-F2017 HydrophobicContact CG2-CZ 3.87Å |
| 2018 | I | 88.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 101.4 | 171.9 | -58.1 | 161 | 0 | 0 | 0 | 106.1 | T1974 V1975 I2005 A2021 D2025 Y2029 L2046 | T1974-I2018 CarbonylContact C-O 3.53Å; T1974-I2018 WeakPolarHBondContact CA-O 3.1Å; V1975-I2018 HydrophobicContact CB-CB 4.03Å; V1975-I2018 HydrophobicContact CB-CD1 4.14Å; V1975-I2018 HydrophobicContact CB-CG1 4.5Å; V1975-I2018 HydrophobicContact CG2-CB 4.19Å; V1975-I2018 HydrophobicContact CG2-CD1 4.44Å; V1975-I2018 PolarHBondContact N-O 3.42Å; V1975-I2018 PolarHBondContact O-N 2.9Å; I2005-I2018 HydrophobicContact CD1-CG1 4.3Å; I2005-I2018 HydrophobicContact CD1-CG2 4.49Å; I2005-I2018 HydrophobicContact CG1-CB 4.46Å; I2005-I2018 HydrophobicContact CG1-CG1 4.12Å; I2005-I2018 HydrophobicContact CG1-CG2 4.17Å; I2005-I2018 HydrophobicContact CG2-CG1 3.95Å; I2018-A2021 HydrophobicContact CG2-CB 3.93Å; I2018-D2025 HydrophobicContact CG2-CB 4.46Å; I2018-Y2029 HydrophobicContact CD1-CE1 3.79Å; I2018-Y2029 HydrophobicContact CD1-CE2 4.21Å; I2018-Y2029 WeakPolarHBondContact CD1-OH 3.35Å; I2018-L2046 HydrophobicContact CD1-CD2 3.72Å |
| 2019 | Y | 81.1 | Confident | 81.5 | Confident | 111 Ų | 111 | 53.9 Ų | 53.9 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -73.4 | 151 | 172.9 | -70.1 | -47 | 0 | 0 | 0 | 110.8 | T1974 R2004 F2006 A2021 | T1974-Y2019 HydrophobicContact CG2-CD1 3.56Å; T1974-Y2019 HydrophobicContact CG2-CE1 3.9Å; R2004-Y2019 WeakPolarHBondContact CD-O 3.42Å; R2004-Y2019 WeakPolarHBondContact CG-O 2.96Å; R2004-Y2019 PolarHBondContact NH1-O 3.09Å; R2004-Y2019 PolarHBondContact O-N 3.22Å; F2006-Y2019 HydrophobicContact CD1-CD2 4.23Å; F2006-Y2019 AromaticContact CD1-CE2 3.95Å; F2006-Y2019 HydrophobicContact CD1-CE2 3.95Å; F2006-Y2019 AromaticContact CE1-CD2 3.71Å; F2006-Y2019 HydrophobicContact CE1-CD2 3.71Å; F2006-Y2019 HydrophobicContact CE1-CE1 4.2Å; F2006-Y2019 AromaticContact CE1-CE2 3.16Å; F2006-Y2019 HydrophobicContact CE1-CE2 3.16Å; F2006-Y2019 HydrophobicContact CE1-CG 4.43Å; F2006-Y2019 AromaticContact CE1-CZ 3.43Å; F2006-Y2019 VanDerWaalsContact CE1-CZ 3.43Å; F2006-Y2019 AromaticContact CZ-CE2 3.82Å; F2006-Y2019 HydrophobicContact CZ-CE2 3.82Å; F2006-Y2019 AromaticContact CZ-CZ 3.7Å; F2006-Y2019 WeakPolarHBondContact CZ-OH 3.46Å; Y2019-A2021 VanDerWaalsContact C-N 3.32Å; Y2019-A2021 PolarHBondContact O-N 3.31Å |
| 2020 | N | 78.9 | Confident | 82.3 | Confident | 109 Ų | 109 | 52 Ų | 52 | 58% | 0.583 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 45 | 56.5 | 173.5 | -168.9 | 17.5 | 0 | 0 | 0 | 111.8 | G1972 C2022 | G1972-N2020 WeakPolarHBondContact CA-OD1 3.41Å; N2020-C2022 PolarHBondContact O-N 2.8Å |
| 2021 | A | 83.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -66.5 | 132.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1971 G1972 E1973 V1975 I2018 Y2019 I2048 | V1971-A2021 CarbonylContact C-O 3.57Å; V1971-A2021 WeakPolarHBondContact CA-O 3.15Å; G1972-A2021 PolarHBondContact N-O 3.36Å; E1973-A2021 WeakPolarHBondContact O-CB 3.48Å; E1973-A2021 PolarHBondContact O-N 3.08Å; V1975-A2021 HydrophobicContact CG2-CB 3.63Å; I2018-A2021 HydrophobicContact CG2-CB 3.93Å; Y2019-A2021 VanDerWaalsContact C-N 3.32Å; Y2019-A2021 PolarHBondContact O-N 3.31Å; A2021-I2048 HydrophobicContact CB-CD1 3.69Å; A2021-I2048 HydrophobicContact CB-CG1 4.5Å | ||
| 2022 | C | 82.6 | Confident | 84.9 | Confident | 38 Ų | 38 | 45 Ų | 45 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | trans | -113.8 | 163.9 | -174.2 | 70.7 | 0 | 0 | 0 | 0 | 110.7 | N2020 N2024 D2025 I2048 | N2020-C2022 PolarHBondContact O-N 2.8Å; C2022-N2024 PolarHBondContact O-N 3.34Å; C2022-D2025 PolarHBondContact N-OD2 2.86Å; C2022-D2025 WeakPolarHBondContact O-CB 3.43Å; C2022-D2025 PolarHBondContact O-N 2.97Å; C2022-D2025 PolarHBondContact SG-OD2 3.2Å; C2022-I2048 WeakPolarHBondContact O-CD1 3.39Å | ||
| 2023 | E | 81.5 | Confident | 85.5 | Confident | 106 Ų | 106 | 42.2 Ų | 42.2 | 50% | 0.495 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -55.1 | -28.7 | -178 | -167.4 | 171.7 | 178.9 | 0 | 0 | 112.8 | D2025 T2026 N2050 | E2023-D2025 VanDerWaalsContact C-N 3.28Å; E2023-D2025 PolarHBondContact O-N 2.89Å; E2023-T2026 WeakPolarHBondContact O-CB 3.49Å; E2023-T2026 PolarHBondContact O-N 2.85Å; E2023-T2026 PolarHBondContact O-OG1 3.23Å; E2023-N2050 PolarHBondContact OE2-ND2 2.97Å |
| 2024 | N | 83.5 | Confident | 86 | Confident | 138 Ų | 138 | 43.6 Ų | 43.6 | 74% | 0.738 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -71 | -11.9 | 175.1 | -61.1 | -45.7 | 0 | 0 | 0 | 115.1 | F1993 C2022 T2026 | F1993-N2024 WeakPolarHBondContact CE1-O 3.32Å; F1993-N2024 VanDerWaalsContact CZ-O 3.28Å; F1993-N2024 WeakPolarHBondContact CZ-O 3.37Å; C2022-N2024 PolarHBondContact O-N 3.34Å; N2024-T2026 VanDerWaalsContact C-N 3.29Å |
| 2025 | D | 87.7 | Confident | 86 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -84.8 | -3.9 | 169 | -57.5 | -65.6 | 0 | 0 | 0 | 111.8 | F1993 R2004 I2018 C2022 E2023 G2027 Y2029 L2046 I2048 | F1993-D2025 VanDerWaalsContact CE2-O 3.29Å; F1993-D2025 WeakPolarHBondContact CE2-O 3.49Å; R2004-D2025 IonicContact CZ-OD1 2.76Å; R2004-D2025 IonicContact CZ-OD2 2.96Å; R2004-D2025 VanDerWaalsContact CZ-OD2 3.3Å; R2004-D2025 IonicContact NH1-OD1 2.63Å; R2004-D2025 PolarHBondContact NH1-OD1 3.32Å; R2004-D2025 IonicContact NH1-OD2 3.46Å; R2004-D2025 PolarHBondContact NH1-OD2 2.67Å; R2004-D2025 VanDerWaalsContact NH2-CG 3.33Å; R2004-D2025 IonicContact NH2-OD1 2.68Å; R2004-D2025 PolarHBondContact NH2-OD1 3.21Å; R2004-D2025 IonicContact NH2-OD2 2.93Å; R2004-D2025 PolarHBondContact NH2-OD2 2.9Å; R2004-D2025 VanDerWaalsContact NH2-OD2 3.15Å; I2018-D2025 HydrophobicContact CG2-CB 4.46Å; C2022-D2025 PolarHBondContact N-OD2 2.86Å; C2022-D2025 WeakPolarHBondContact O-CB 3.43Å; C2022-D2025 PolarHBondContact O-N 2.97Å; C2022-D2025 PolarHBondContact SG-OD2 3.2Å; E2023-D2025 VanDerWaalsContact C-N 3.28Å; E2023-D2025 PolarHBondContact O-N 2.89Å; D2025-G2027 PolarHBondContact O-N 3.09Å; D2025-Y2029 WeakPolarHBondContact O-CE2 3.43Å; D2025-Y2029 PolarHBondContact O-OH 3.48Å; D2025-L2046 HydrophobicContact CB-CD2 4.32Å; D2025-I2048 HydrophobicContact CB-CD1 3.6Å |
| 2026 | T | 86.9 | Confident | 85.6 | Confident | 53 Ų | 53 | 49.5 Ų | 49.5 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | trans | -61.1 | 125 | 168.8 | -62.4 | 0 | 0 | 0 | 0 | 109.6 | F1993 E2023 N2024 L2046 I2048 | F1993-T2026 WeakPolarHBondContact CZ-O 3.49Å; E2023-T2026 WeakPolarHBondContact O-CB 3.49Å; E2023-T2026 PolarHBondContact O-N 2.85Å; E2023-T2026 PolarHBondContact O-OG1 3.23Å; N2024-T2026 VanDerWaalsContact C-N 3.29Å; T2026-L2046 CarbonylContact C-O 3.59Å; T2026-L2046 WeakPolarHBondContact CA-O 3.42Å; T2026-I2048 PolarHBondContact OG1-N 3.45Å; T2026-I2048 VanDerWaalsContact OG1-N 3.12Å | ||
| 2027 | G | 86.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.5 | -178 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N1994 D2025 L2046 | N1994-G2027 VanDerWaalsContact OD1-CA 3.27Å; N1994-G2027 WeakPolarHBondContact OD1-CA 3.38Å; D2025-G2027 PolarHBondContact O-N 3.09Å; G2027-L2046 PolarHBondContact N-O 3.42Å; G2027-L2046 PolarHBondContact O-N 3.38Å |
| 2028 | R | 90.8 | Very high | 84.9 | Confident | 148 Ų | 148 | 51.9 Ų | 51.9 | 56% | 0.558 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116 | -174.7 | -166.1 | 175 | -173 | -166.5 | 2.8 | 110.6 | N1994 S2043 A2044 | N1994-R2028 PolarHBondContact N-O 3.14Å; N1994-R2028 PolarHBondContact OD1-N 2.92Å; R2028-S2043 VanDerWaalsContact CG-OG 3.31Å; R2028-S2043 WeakPolarHBondContact CG-OG 3.48Å; R2028-S2043 PolarHBondContact NE-OG 3.23Å; R2028-A2044 CarbonylContact C-O 3.55Å; R2028-A2044 WeakPolarHBondContact CA-O 3.49Å |
| 2029 | Y | 91.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 140.7 | 170.1 | -71.4 | -98.4 | 0 | 0 | 0 | 109.2 | L1977 R1992 F1993 L1998 L2016 I2018 D2025 S2043 A2044 L2046 | L1977-Y2029 HydrophobicContact CD1-CD1 4.03Å; L1977-Y2029 HydrophobicContact CD1-CD2 3.98Å; L1977-Y2029 HydrophobicContact CD1-CG 3.61Å; R1992-Y2029 WeakPolarHBondContact O-CA 3.49Å; F1993-Y2029 HydrophobicContact CB-CD1 4.29Å; F1993-Y2029 HydrophobicContact CB-CE1 4.01Å; F1993-Y2029 HydrophobicContact CD2-CD1 4.15Å; F1993-Y2029 AromaticContact CD2-CD2 3.83Å; F1993-Y2029 HydrophobicContact CD2-CD2 3.83Å; F1993-Y2029 AromaticContact CD2-CE1 3.7Å; F1993-Y2029 HydrophobicContact CD2-CE1 3.7Å; F1993-Y2029 AromaticContact CD2-CE2 3.32Å; F1993-Y2029 HydrophobicContact CD2-CE2 3.32Å; F1993-Y2029 HydrophobicContact CD2-CG 4.21Å; F1993-Y2029 AromaticContact CD2-CZ 3.24Å; F1993-Y2029 HydrophobicContact CE2-CD2 4.21Å; F1993-Y2029 HydrophobicContact CE2-CE1 4.46Å; F1993-Y2029 AromaticContact CE2-CE2 3.43Å; F1993-Y2029 HydrophobicContact CE2-CE2 3.43Å; F1993-Y2029 VanDerWaalsContact CE2-CE2 3.43Å; F1993-Y2029 AromaticContact CE2-CZ 3.58Å; F1993-Y2029 HydrophobicContact CG-CE1 4.08Å; F1993-Y2029 HydrophobicContact CG-CE2 4.42Å; F1993-Y2029 AromaticContact CG-CZ 3.95Å; L1998-Y2029 HydrophobicContact CD1-CD1 4.09Å; L1998-Y2029 HydrophobicContact CD1-CE1 3.97Å; L2016-Y2029 HydrophobicContact CD2-CD1 3.57Å; L2016-Y2029 HydrophobicContact CD2-CE1 3.76Å; I2018-Y2029 HydrophobicContact CD1-CE1 3.79Å; I2018-Y2029 HydrophobicContact CD1-CE2 4.21Å; I2018-Y2029 WeakPolarHBondContact CD1-OH 3.35Å; D2025-Y2029 WeakPolarHBondContact O-CE2 3.43Å; D2025-Y2029 PolarHBondContact O-OH 3.48Å; Y2029-S2043 CarbonylContact O-C 3.57Å; Y2029-S2043 WeakPolarHBondContact O-CA 3.48Å; Y2029-S2043 WeakPolarHBondContact O-CB 3.37Å; Y2029-S2043 PolarHBondContact O-OG 3.15Å; Y2029-A2044 PolarHBondContact N-O 3.15Å; Y2029-A2044 PolarHBondContact O-N 3.22Å; Y2029-L2046 HydrophobicContact CD2-CB 3.86Å; Y2029-L2046 HydrophobicContact CD2-CD2 4.36Å; Y2029-L2046 HydrophobicContact CE2-CB 3.73Å; Y2029-L2046 HydrophobicContact CE2-CD2 3.6Å; Y2029-L2046 HydrophobicContact CE2-CG 4.3Å |
| 2030 | E | 90.2 | Very high | 84.8 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 131 | -179.6 | 177.7 | -172.9 | 92.6 | 0 | 0 | 108.6 | W1991 R1992 I2041 C2042 | W1991-E2030 CarbonylContact C-O 3.51Å; W1991-E2030 WeakPolarHBondContact CA-O 3.4Å; R1992-E2030 HydrophobicContact CB-CB 4.33Å; R1992-E2030 WeakPolarHBondContact CD-OE1 2.94Å; R1992-E2030 IonicContact CZ-OE1 3.18Å; R1992-E2030 PolarHBondContact N-O 3.37Å; R1992-E2030 IonicContact NE-OE1 2.68Å; R1992-E2030 IonicContact NH1-OE1 2.73Å; R1992-E2030 PolarHBondContact NH1-OE1 2.96Å; R1992-E2030 PolarHBondContact O-N 3.3Å; E2030-I2041 HydrophobicContact CG-CG2 3.41Å; E2030-I2041 VanDerWaalsContact CG-CG2 3.41Å; E2030-C2042 CarbonylContact C-O 3.51Å; E2030-C2042 WeakPolarHBondContact CA-O 3.32Å |
| 2031 | V | 89.7 | Confident | 85.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.5 | 172.8 | 75.8 | 0 | 0 | 0 | 0 | 109.3 | F1960 F1964 V1989 Q1990 W1991 I2041 C2042 | F1960-V2031 HydrophobicContact CE1-CG1 3.5Å; F1960-V2031 HydrophobicContact CZ-CG1 3.57Å; F1964-V2031 HydrophobicContact CD1-CG1 4.44Å; F1964-V2031 HydrophobicContact CE1-CB 4.24Å; F1964-V2031 HydrophobicContact CE1-CG1 3.62Å; F1964-V2031 HydrophobicContact CZ-CG1 4.45Å; V1989-V2031 HydrophobicContact CG1-CG2 3.43Å; V1989-V2031 VanDerWaalsContact CG1-CG2 3.43Å; Q1990-V2031 CarbonylContact O-C 3.54Å; Q1990-V2031 WeakPolarHBondContact O-CA 3.44Å; W1991-V2031 HydrophobicContact CD2-CB 3.8Å; W1991-V2031 HydrophobicContact CD2-CG2 3.63Å; W1991-V2031 HydrophobicContact CE3-CB 3.8Å; W1991-V2031 HydrophobicContact CE3-CG2 4.18Å; W1991-V2031 HydrophobicContact CG-CB 4.38Å; W1991-V2031 HydrophobicContact CG-CG2 3.88Å; W1991-V2031 HydrophobicContact CH2-CB 4.22Å; W1991-V2031 HydrophobicContact CZ2-CB 4.2Å; W1991-V2031 HydrophobicContact CZ2-CG2 4.01Å; W1991-V2031 HydrophobicContact CZ3-CB 4.02Å; V2031-I2041 WeakPolarHBondContact O-CA 3.5Å; V2031-C2042 HydrophobicContact CG1-CB 4Å; V2031-C2042 PolarHBondContact N-O 3.33Å; V2031-C2042 PolarHBondContact O-N 2.88Å |
| 2032 | T | 88.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.7 | 178.3 | -64.7 | 0 | 0 | 0 | 0 | 108.6 | V1989 Q1990 R1992 K2039 A2040 I2041 | V1989-T2032 CarbonylContact C-O 3.53Å; V1989-T2032 WeakPolarHBondContact CA-O 3.43Å; Q1990-T2032 PolarHBondContact N-O 3Å; Q1990-T2032 PolarHBondContact O-N 3.26Å; R1992-T2032 PolarHBondContact NH1-OG1 3.46Å; T2032-K2039 HydrophobicContact CG2-CD 4.4Å; T2032-K2039 HydrophobicContact CG2-CG 4.18Å; T2032-A2040 WeakPolarHBondContact CA-O 3.42Å; T2032-I2041 HydrophobicContact CG2-CG1 4.39Å |
| 2033 | A | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 131.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P1958 F1960 L1981 P1987 V1988 V1989 K2039 A2040 | P1958-A2033 HydrophobicContact CB-CB 3.79Å; P1958-A2033 WeakPolarHBondContact CG-O 3.25Å; F1960-A2033 HydrophobicContact CE2-CB 4.38Å; F1960-A2033 HydrophobicContact CZ-CB 3.99Å; L1981-A2033 HydrophobicContact CD1-CB 4.12Å; L1981-A2033 HydrophobicContact CD2-CB 4.16Å; P1987-A2033 HydrophobicContact CB-CB 4.18Å; P1987-A2033 HydrophobicContact CG-CB 4.39Å; V1988-A2033 CarbonylContact O-C 3.49Å; V1988-A2033 WeakPolarHBondContact O-CA 3.4Å; V1989-A2033 HydrophobicContact CG2-CB 4.14Å; A2033-K2039 CarbonylContact O-C 3.46Å; A2033-K2039 VanDerWaalsContact O-CA 3.31Å; A2033-K2039 WeakPolarHBondContact O-CA 3.38Å; A2033-A2040 PolarHBondContact N-O 3.48Å; A2033-A2040 PolarHBondContact O-N 3.44Å |
| 2034 | E | 86.6 | Confident | 85.4 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 131.5 | -171.8 | -169.7 | 168.9 | 146.8 | 0 | 0 | 111.6 | P1987 V1988 K2039 | P1987-E2034 CarbonylContact C-O 3.43Å; P1987-E2034 VanDerWaalsContact CA-O 3.3Å; P1987-E2034 WeakPolarHBondContact CA-O 3.34Å; V1988-E2034 PolarHBondContact N-O 2.89Å; V1988-E2034 PolarHBondContact O-N 3.3Å; E2034-K2039 HydrophobicContact CB-CG 4.31Å; E2034-K2039 HydrophobicContact CG-CB 4.35Å; E2034-K2039 HydrophobicContact CG-CD 4.35Å; E2034-K2039 HydrophobicContact CG-CG 4.29Å; E2034-K2039 WeakPolarHBondContact OE2-CD 3.48Å; E2034-K2039 WeakPolarHBondContact OE2-CE 3.27Å; E2034-K2039 IonicContact OE2-NZ 2.83Å; E2034-K2039 PolarHBondContact OE2-NZ 3.28Å |
| 2035 | N | 83.4 | Confident | 85.5 | Confident | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.123 | 23% | 0.233 | C | C | . | . | trans | -136.6 | -178.3 | 170.7 | 74.4 | 8.1 | 0 | 0 | 0 | 110.5 | E1956 P1958 P1985 P1987 I2037 G2038 | E1956-N2035 PolarHBondContact O-ND2 3.19Å; P1958-N2035 WeakPolarHBondContact CD-OD1 3.47Å; P1958-N2035 HydrophobicContact CG-CB 4.32Å; P1985-N2035 WeakPolarHBondContact O-CB 3.15Å; P1985-N2035 PolarHBondContact O-ND2 3Å; P1987-N2035 HydrophobicContact CB-CB 4.15Å; N2035-I2037 PolarHBondContact O-N 3.43Å; N2035-I2037 WeakPolarHBondContact OD1-CA 3.15Å; N2035-I2037 WeakPolarHBondContact OD1-CB 3.48Å; N2035-I2037 PolarHBondContact OD1-N 3.33Å; N2035-G2038 PolarHBondContact N-O 3.35Å; N2035-G2038 PolarHBondContact O-N 2.83Å; N2035-G2038 VanDerWaalsContact O-O 3.12Å; N2035-G2038 PolarHBondContact OD1-N 3.03Å | ||
| 2036 | V | 73.5 | Confident | 85.6 | Confident | 124 Ų | 124 | 43.9 Ų | 43.9 | 75% | 0.752 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -68.5 | -2.2 | -178.5 | -58.3 | 0 | 0 | 0 | 0 | 114.7 | P1985 | P1985-V2036 HydrophobicContact CG-CG2 3.83Š|
| 2037 | I | 79.9 | Confident | 85.5 | Confident | 71 Ų | 71 | 44.4 Ų | 44.4 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -110.4 | -28.2 | -177.9 | -49.5 | -57.8 | 0 | 0 | 0 | 111.6 | L1955 P1957 N2035 | L1955-I2037 HydrophobicContact CB-CD1 3.75Å; L1955-I2037 HydrophobicContact CB-CG1 4.02Å; L1955-I2037 HydrophobicContact CD1-CD1 3.98Å; L1955-I2037 HydrophobicContact CD2-CD1 4.15Å; L1955-I2037 HydrophobicContact CG-CD1 4.17Å; P1957-I2037 HydrophobicContact CB-CG2 4.17Å; N2035-I2037 PolarHBondContact O-N 3.43Å; N2035-I2037 WeakPolarHBondContact OD1-CA 3.15Å; N2035-I2037 WeakPolarHBondContact OD1-CB 3.48Å; N2035-I2037 PolarHBondContact OD1-N 3.33Å |
| 2038 | G | 77.4 | Confident | 85.4 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 26% | 0.258 | 23% | 0.23 | S | C | . | . | trans | -179.8 | -166.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1958 N2035 | P1958-G2038 WeakPolarHBondContact CD-O 3.47Å; P1958-G2038 VanDerWaalsContact CG-O 3.25Å; P1958-G2038 WeakPolarHBondContact CG-O 3.28Å; N2035-G2038 PolarHBondContact N-O 3.35Å; N2035-G2038 PolarHBondContact O-N 2.83Å; N2035-G2038 VanDerWaalsContact O-O 3.12Å; N2035-G2038 PolarHBondContact OD1-N 3.03Å | ||
| 2039 | K | 85.2 | Confident | 84.8 | Confident | 113 Ų | 113 | 40.9 Ų | 40.9 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 131.9 | -174.9 | -174.7 | 173.3 | -171.6 | 148.6 | 0 | 110.6 | T2032 A2033 E2034 | T2032-K2039 HydrophobicContact CG2-CD 4.4Å; T2032-K2039 HydrophobicContact CG2-CG 4.18Å; A2033-K2039 CarbonylContact O-C 3.46Å; A2033-K2039 VanDerWaalsContact O-CA 3.31Å; A2033-K2039 WeakPolarHBondContact O-CA 3.38Å; E2034-K2039 HydrophobicContact CB-CG 4.31Å; E2034-K2039 HydrophobicContact CG-CB 4.35Å; E2034-K2039 HydrophobicContact CG-CD 4.35Å; E2034-K2039 HydrophobicContact CG-CG 4.29Å; E2034-K2039 WeakPolarHBondContact OE2-CD 3.48Å; E2034-K2039 WeakPolarHBondContact OE2-CE 3.27Å; E2034-K2039 IonicContact OE2-NZ 2.83Å; E2034-K2039 PolarHBondContact OE2-NZ 3.28Å |
| 2040 | A | 83.6 | Confident | 83.3 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 155.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P1958 F1960 T2032 A2033 | P1958-A2040 HydrophobicContact CB-CB 4.15Å; P1958-A2040 VanDerWaalsContact O-CB 3.31Å; P1958-A2040 WeakPolarHBondContact O-CB 3.42Å; F1960-A2040 HydrophobicContact CD2-CB 3.82Å; F1960-A2040 HydrophobicContact CE2-CB 3.62Å; T2032-A2040 WeakPolarHBondContact CA-O 3.42Å; A2033-A2040 PolarHBondContact N-O 3.48Å; A2033-A2040 PolarHBondContact O-N 3.44Å |
| 2041 | I | 87 | Confident | 81.1 | Confident | 94 Ų | 94 | 48 Ų | 48 | 48% | 0.482 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 133.8 | 178.5 | -54.8 | 179.3 | 0 | 0 | 0 | 109.1 | E2030 V2031 T2032 | E2030-I2041 HydrophobicContact CG-CG2 3.41Å; E2030-I2041 VanDerWaalsContact CG-CG2 3.41Å; V2031-I2041 WeakPolarHBondContact O-CA 3.5Å; T2032-I2041 HydrophobicContact CG2-CG1 4.39Å |
| 2042 | C | 83.5 | Confident | 78.4 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144 | 170.5 | 177.6 | 0 | 0 | 0 | 0 | 109 | F1960 L1963 F1964 E2030 V2031 | F1960-C2042 HydrophobicContact CD1-CB 4.06Å; F1960-C2042 HydrophobicContact CD2-CB 3.89Å; F1960-C2042 HydrophobicContact CE1-CB 4.04Å; F1960-C2042 HydrophobicContact CE2-CB 3.88Å; F1960-C2042 HydrophobicContact CG-CB 3.99Å; F1960-C2042 HydrophobicContact CZ-CB 3.98Å; L1963-C2042 HydrophobicContact CD2-CB 3.89Å; L1963-C2042 WeakPolarHBondContact CD2-SG 3.26Å; F1964-C2042 HydrophobicContact CD1-CB 4.37Å; F1964-C2042 WeakPolarHBondContact CD1-SG 3.4Å; F1964-C2042 HydrophobicContact CE1-CB 3.97Å; F1964-C2042 WeakPolarHBondContact CE1-SG 3.24Å; E2030-C2042 CarbonylContact C-O 3.51Å; E2030-C2042 WeakPolarHBondContact CA-O 3.32Å; V2031-C2042 HydrophobicContact CG1-CB 4Å; V2031-C2042 PolarHBondContact N-O 3.33Å; V2031-C2042 PolarHBondContact O-N 2.88Å |
| 2043 | S | 84.7 | Confident | 75.6 | Confident | 31 Ų | 31 | 58.4 Ų | 58.4 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 144.2 | -175 | 179.9 | 0 | 0 | 0 | 0 | 113.2 | R2028 Y2029 | R2028-S2043 VanDerWaalsContact CG-OG 3.31Å; R2028-S2043 WeakPolarHBondContact CG-OG 3.48Å; R2028-S2043 PolarHBondContact NE-OG 3.23Å; Y2029-S2043 CarbonylContact O-C 3.57Å; Y2029-S2043 WeakPolarHBondContact O-CA 3.48Å; Y2029-S2043 WeakPolarHBondContact O-CB 3.37Å; Y2029-S2043 PolarHBondContact O-OG 3.15Å |
| 2044 | A | 83.4 | Confident | 72.7 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 161.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1964 T1965 D1966 R2028 Y2029 | F1964-A2044 HydrophobicContact CD2-CB 3.43Å; F1964-A2044 VanDerWaalsContact CD2-CB 3.43Å; F1964-A2044 HydrophobicContact CE2-CB 3.55Å; F1964-A2044 HydrophobicContact CG-CB 4.38Å; T1965-A2044 WeakPolarHBondContact O-CB 2.88Å; D1966-A2044 VanDerWaalsContact OD1-CA 3.27Å; D1966-A2044 WeakPolarHBondContact OD1-CA 2.96Å; D1966-A2044 WeakPolarHBondContact OD1-CB 3.09Å; R2028-A2044 CarbonylContact C-O 3.55Å; R2028-A2044 WeakPolarHBondContact CA-O 3.49Å; Y2029-A2044 PolarHBondContact N-O 3.15Å; Y2029-A2044 PolarHBondContact O-N 3.22Å |
| 2045 | L | 86.2 | Confident | 69.8 | Low | 68 Ų | 68 | 64.9 Ų | 64.9 | 36% | 0.356 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 126 | 173.7 | -177.8 | 64.6 | 0 | 0 | 0 | 111.3 | D1966 K1967 I2047 | D1966-L2045 CarbonylContact C-O 3.42Å; D1966-L2045 WeakPolarHBondContact CA-O 3.22Å; D1966-L2045 HydrophobicContact CB-CB 4.4Å; D1966-L2045 PolarHBondContact OD1-N 2.93Å; K1967-L2045 PolarHBondContact N-O 3.15Å; L2045-I2047 HydrophobicContact CD2-CD1 3.91Å; L2045-I2047 HydrophobicContact CD2-CG1 3.95Å; L2045-I2047 HydrophobicContact CG-CD1 4.42Å; L2045-I2047 HydrophobicContact CG-CG1 3.92Å |
| 2046 | L | 89.8 | Confident | 67.4 | Low | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.2 | 165 | 177.3 | 57.2 | 0 | 0 | 0 | 109 | K1967 M1969 V1975 I2018 D2025 T2026 G2027 Y2029 I2048 | K1967-L2046 HydrophobicContact CB-CD1 4.16Å; K1967-L2046 WeakPolarHBondContact O-CA 3.37Å; M1969-L2046 HydrophobicContact CB-CD1 4.45Å; M1969-L2046 HydrophobicContact CG-CD1 3.71Å; V1975-L2046 HydrophobicContact CB-CD2 4.39Å; V1975-L2046 HydrophobicContact CG1-CD1 3.78Å; V1975-L2046 HydrophobicContact CG1-CD2 4.09Å; V1975-L2046 HydrophobicContact CG2-CD1 4.09Å; V1975-L2046 HydrophobicContact CG2-CD2 3.95Å; I2018-L2046 HydrophobicContact CD1-CD2 3.72Å; D2025-L2046 HydrophobicContact CB-CD2 4.32Å; T2026-L2046 CarbonylContact C-O 3.59Å; T2026-L2046 WeakPolarHBondContact CA-O 3.42Å; G2027-L2046 PolarHBondContact N-O 3.42Å; G2027-L2046 PolarHBondContact O-N 3.38Å; Y2029-L2046 HydrophobicContact CD2-CB 3.86Å; Y2029-L2046 HydrophobicContact CD2-CD2 4.36Å; Y2029-L2046 HydrophobicContact CE2-CB 3.73Å; Y2029-L2046 HydrophobicContact CE2-CD2 3.6Å; Y2029-L2046 HydrophobicContact CE2-CG 4.3Å; L2046-I2048 HydrophobicContact CD1-CG1 4.26Å; L2046-I2048 HydrophobicContact CD2-CD1 4Å; L2046-I2048 HydrophobicContact CG-CD1 4.14Å; L2046-I2048 HydrophobicContact CG-CG1 4.22Å |
| 2047 | I | 84.3 | Confident | 65.2 | Low | 63 Ų | 63 | 67.1 Ų | 67.1 | 32% | 0.323 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128 | 173.1 | -53.8 | -179.4 | 0 | 0 | 0 | 108 | K1967 V1968 M1969 L2045 | K1967-I2047 PolarHBondContact O-N 3.44Å; V1968-I2047 CarbonylContact C-O 3.58Å; V1968-I2047 WeakPolarHBondContact CA-O 3.4Å; V1968-I2047 HydrophobicContact CG1-CB 4.48Å; V1968-I2047 HydrophobicContact CG2-CB 4.31Å; V1968-I2047 HydrophobicContact CG2-CD1 4.4Å; M1969-I2047 PolarHBondContact N-O 2.84Å; L2045-I2047 HydrophobicContact CD2-CD1 3.91Å; L2045-I2047 HydrophobicContact CD2-CG1 3.95Å; L2045-I2047 HydrophobicContact CG-CD1 4.42Å; L2045-I2047 HydrophobicContact CG-CG1 3.92Å |
| 2048 | I | 85.3 | Confident | 62.6 | Low | 6 Ų | 6 | 70.3 Ų | 70.3 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 111 | 176.3 | -71.3 | 159.1 | 0 | 0 | 0 | 109.5 | M1969 V1971 A2021 C2022 D2025 T2026 L2046 | M1969-I2048 HydrophobicContact CB-CG1 4.25Å; M1969-I2048 CarbonylContact O-C 3.57Å; M1969-I2048 WeakPolarHBondContact O-CA 3.25Å; V1971-I2048 HydrophobicContact CB-CG2 4.32Å; V1971-I2048 HydrophobicContact CG2-CG2 3.56Å; A2021-I2048 HydrophobicContact CB-CD1 3.69Å; A2021-I2048 HydrophobicContact CB-CG1 4.5Å; C2022-I2048 WeakPolarHBondContact O-CD1 3.39Å; D2025-I2048 HydrophobicContact CB-CD1 3.6Å; T2026-I2048 PolarHBondContact OG1-N 3.45Å; T2026-I2048 VanDerWaalsContact OG1-N 3.12Å; L2046-I2048 HydrophobicContact CD1-CG1 4.26Å; L2046-I2048 HydrophobicContact CD2-CD1 4Å; L2046-I2048 HydrophobicContact CG-CD1 4.14Å; L2046-I2048 HydrophobicContact CG-CG1 4.22Å |
| 2049 | N | 77.1 | Confident | 60.1 | Low | 75 Ų | 75 | 73.2 Ų | 73.2 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.2 | -175.9 | -73.7 | -15.7 | 0 | 0 | 0 | 111.2 | V1968 M1969 V1971 | V1968-N2049 VanDerWaalsContact CG1-ND2 3.25Å; V1968-N2049 WeakPolarHBondContact CG1-ND2 3.39Å; M1969-N2049 PolarHBondContact O-N 3.22Å; V1971-N2049 PolarHBondContact N-O 3.22Å |
| 2050 | N | 60.9 | Low | 57.3 | Low | 98 Ų | 98 | 72.1 Ų | 72.1 | 52% | 0.524 | 40% | 0.397 | S | S | . | . | trans | -104.9 | 69.1 | 178.4 | -162.2 | -5.8 | 0 | 0 | 0 | 110.8 | V1971 E2023 A2052 | V1971-N2050 HydrophobicContact CG2-CB 4.23Å; E2023-N2050 PolarHBondContact OE2-ND2 2.97Å; N2050-A2052 PolarHBondContact O-N 3.01Å; N2050-A2052 VanDerWaalsContact O-N 3.14Å | ||
| 2051 | S | 43.6 | Very low | 54.7 | Low | 98 Ų | 98 | 74.8 Ų | 74.8 | 69% | 0.685 | 41% | 0.414 | S | S | * | . | trans | -84.1 | 75.2 | -174.5 | 42.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2052 | A | 33.7 | Very low | 51.7 | Low | 73 Ų | 73 | 77.3 Ų | 77.3 | 60% | 0.603 | 42% | 0.424 | S | S | * | . | trans | -84.5 | 124.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N2050 | N2050-A2052 PolarHBondContact O-N 3.01Å; N2050-A2052 VanDerWaalsContact O-N 3.14Å | ||
| 2053 | K | 28.6 | Very low | 48.9 | Very low | 147 Ų | 147 | 81.7 Ų | 81.7 | 64% | 0.639 | 45% | 0.453 | S | S | * | . | trans | 74.8 | 143.9 | 171.8 | -56.8 | 176.4 | -175.1 | 179.2 | 0 | 113.4 | E2350 | K2053-E2350 HydrophobicContact CB-CB 4.25Å; K2053-E2350 WeakPolarHBondContact CB-OE2 3.41Å; K2053-E2350 HydrophobicContact CD-CB 3.86Å; K2053-E2350 PolarHBondContact NZ-O 2.91Å | ||
| 2054 | S | 28.9 | Very low | 46.2 | Very low | 72 Ų | 72 | 86.8 Ų | 86.8 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | -152.3 | 129.3 | 55.7 | -176.3 | 0 | 0 | 0 | 0 | 116.8 | E2350 S2351 | S2054-E2350 WeakPolarHBondContact OG-CG 3.5Å; S2054-S2351 PolarHBondContact OG-OG 3.38Å | |||
| 2055 | R | 26.1 | Very low | 43.5 | Very low | 149 Ų | 149 | 95.3 Ų | 95.3 | 56% | 0.562 | 51% | 0.506 | S | S | * | . | S | Bend | trans | 74.9 | 105.1 | 155.5 | -98.5 | 141.2 | -136.7 | -103.5 | -0.6 | 117.6 | S2351 S2352 | R2055-S2351 VanDerWaalsContact CD-OG 3.27Å; R2055-S2351 WeakPolarHBondContact CD-OG 3.43Å; R2055-S2351 VanDerWaalsContact CG-OG 3.23Å; R2055-S2351 WeakPolarHBondContact CG-OG 3.22Å; R2055-S2351 PolarHBondContact N-OG 3.4Å; R2055-S2351 PolarHBondContact NE-OG 3.44Å; R2055-S2352 VanDerWaalsContact CG-OG 3.23Å; R2055-S2352 WeakPolarHBondContact CG-OG 3.24Å |
| 2056 | H | 33.4 | Very low | 40.7 | Very low | 130 Ų | 130 | 96.9 Ų | 96.9 | 60% | 0.602 | 52% | 0.519 | S | S | * | . | trans | 89.9 | 118.5 | 169.6 | -55.7 | -97 | 0 | 0 | 0 | 117.1 | S2352 D2353 | H2056-S2352 WeakPolarHBondContact CA-O 3.31Å; H2056-S2352 PolarHBondContact CD2-OG 3.48Å; H2056-S2352 PolarHBondContact CE1-OG 3.49Å; H2056-S2352 PolarHBondContact N-O 2.77Å; H2056-S2352 PolarHBondContact N-OG 2.94Å; H2056-S2352 PolarHBondContact NE2-OG 3.46Å; H2056-D2353 WeakPolarHBondContact ND1-CB 3.31Å; H2056-D2353 IonicContact ND1-OD2 2.83Å | ||
| 2057 | S | 25.7 | Very low | 37.6 | Very low | 63 Ų | 63 | 101.5 Ų | 101.5 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | cis | -175.7 | 146.2 | -4.4 | 34.9 | 0 | 0 | 0 | 0 | 119.5 | D2353 N2354 | S2057-D2353 WeakPolarHBondContact CB-O 3.38Å; S2057-N2354 VanDerWaalsContact CB-N 3.25Å; S2057-N2354 WeakPolarHBondContact CB-O 3.45Å; S2057-N2354 PolarHBondContact OG-O 3.35Å | ||
| 2058 | R | 27.3 | Very low | 35 | Very low | 139 Ų | 139 | 104.6 Ų | 104.6 | 53% | 0.525 | 58% | 0.579 | S | S | . | * | trans | 37.4 | 150.3 | 177.2 | -102.9 | -171.6 | -155.1 | 135.1 | 20.1 | 119.3 | D2353 N2354 D2355 | R2058-D2353 WeakPolarHBondContact CA-O 3.41Å; R2058-D2353 WeakPolarHBondContact CB-O 3.29Å; R2058-D2353 WeakPolarHBondContact CG-O 3.47Å; R2058-D2353 PolarHBondContact N-O 2.96Å; R2058-N2354 PolarHBondContact NH1-OD1 3.3Å; R2058-N2354 PolarHBondContact NH2-OD1 2.74Å; R2058-D2355 IonicContact CZ-OD1 2.76Å; R2058-D2355 IonicContact NH1-OD1 3.95Å; R2058-D2355 PolarHBondContact NH1-OD1 3.47Å | ||
| 2059 | P | 23.7 | Very low | 32.2 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 55% | 0.552 | 62% | 0.616 | S | S | * | * | trans | -130.6 | -144.3 | -151.1 | 32.1 | -6.4 | 0 | 0 | 0 | 111 | ||||
| 2060 | S | 25.6 | Very low | 29.7 | Very low | 90 Ų | 90 | 113.6 Ų | 113.6 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | trans | 22.5 | 121.3 | 143.7 | 67.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 2061 | S | 29.1 | Very low | 28.3 | Very low | 77 Ų | 77 | 115.1 Ų | 115.1 | 54% | 0.538 | 64% | 0.638 | S | S | . | * | -169.3 | 143.7 | 71.7 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | V2358 | S2061-V2358 WeakPolarHBondContact O-CG2 3.44Š| |||
| 2062 | E | 25.7 | Very low | 27.5 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | trans | -29.4 | 156.5 | 149.1 | -79.6 | 170.5 | 113 | 0 | 0 | 115.8 | E2064 | E2062-E2064 HydrophobicContact CB-CG 4.19Š| ||
| 2063 | P | 24.6 | Very low | 27.3 | Very low | 103 Ų | 103 | 122 Ų | 122 | 67% | 0.669 | 65% | 0.647 | S | S | * | * | -78 | 136.4 | 69 | 19.6 | -33.3 | 0 | 0 | 0 | 114.6 | |||||
| 2064 | E | 27.4 | Very low | 27.2 | Very low | 138 Ų | 138 | 122 Ų | 122 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | cis | 73.9 | 133.6 | 47.9 | -61.9 | 178.9 | 143.7 | 0 | 0 | 111.4 | E2062 | E2062-E2064 HydrophobicContact CB-CG 4.19Š| ||
| 2065 | Y | 27.4 | Very low | 27.3 | Very low | 181 Ų | 181 | 122.1 Ų | 122.1 | 71% | 0.71 | 66% | 0.66 | S | S | * | * | cis | -158.5 | 153.9 | 1.7 | -139.3 | -139.9 | 0 | 0 | 0 | 111.7 | ||||
| 2066 | T | 26.8 | Very low | 27.6 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 62% | 0.62 | 66% | 0.661 | S | S | * | * | trans | 42.9 | 126.7 | 148.6 | 54.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 2067 | A | 25.4 | Very low | 27.4 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 81% | 0.81 | 68% | 0.676 | S | S | * | * | trans | -65.3 | 147.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2068 | T | 28.7 | Very low | 27.9 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | trans | -159.4 | 155.6 | 149 | -0.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2069 | E | 26.2 | Very low | 27.8 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | trans | -41.7 | 135.6 | 174.9 | -55.3 | 173.8 | 120.2 | 0 | 0 | 116.8 | ||||
| 2070 | A | 25.8 | Very low | 27.9 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 78% | 0.777 | 70% | 0.696 | S | S | * | * | 72.2 | 156.8 | 121.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | K2072 | A2070-K2072 PolarHBondContact O-N 2.84Š| |||
| 2071 | E | 29.7 | Very low | 27.9 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 61% | 0.612 | 69% | 0.694 | S | S | * | * | trans | -42.6 | 80.8 | 158.7 | -56 | 175.8 | 104.8 | 0 | 0 | 115.4 | L2073 | E2071-L2073 HydrophobicContact CB-CD1 3.69Å; E2071-L2073 WeakPolarHBondContact O-CD1 3.35Å | ||
| 2072 | K | 28.1 | Very low | 27.9 | Very low | 198 Ų | 198 | 131 Ų | 131 | 86% | 0.861 | 70% | 0.698 | S | S | * | * | trans | -130.6 | 95.1 | 131.7 | -70.3 | -171.6 | -176.5 | 158.1 | 0 | 109.6 | A2070 | A2070-K2072 PolarHBondContact O-N 2.84Š| ||
| 2073 | L | 28.2 | Very low | 28 | Very low | 118 Ų | 118 | 129 Ų | 129 | 62% | 0.618 | 70% | 0.698 | S | S | * | * | 60.2 | 124.3 | 76.4 | -78.3 | 78.9 | 0 | 0 | 0 | 114 | E2071 | E2071-L2073 HydrophobicContact CB-CD1 3.69Å; E2071-L2073 WeakPolarHBondContact O-CD1 3.35Å | |||
| 2074 | N | 26.9 | Very low | 28.4 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | trans | 83.9 | 116.7 | 146.7 | -59.9 | -12 | 0 | 0 | 0 | 120.1 | ||||
| 2075 | A | 30.7 | Very low | 28.7 | Very low | 76 Ų | 76 | 129.6 Ų | 129.6 | 63% | 0.628 | 70% | 0.7 | S | S | * | * | 93.7 | 137 | 126.4 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 2076 | N | 33.8 | Very low | 28.9 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | cis | -171.9 | 152.4 | -16.4 | -106.9 | -25.8 | 0 | 0 | 0 | 111.4 | H2078 | N2076-H2078 HydrophobicContact CB-CB 3.85Å; N2076-H2078 WeakPolarHBondContact CB-CD2 3.4Å; N2076-H2078 PolarHBondContact ND2-CE1 3.39Å; N2076-H2078 PolarHBondContact ND2-ND1 3.06Å; N2076-H2078 PolarHBondContact ND2-NE2 3.42Å; N2076-H2078 VanDerWaalsContact ND2-NE2 3.18Å | ||
| 2077 | L | 28.4 | Very low | 29.1 | Very low | 175 Ų | 175 | 124.9 Ų | 124.9 | 92% | 0.916 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -123.1 | 63 | 142 | -173.2 | 70.1 | 0 | 0 | 0 | 107.9 | ||
| 2078 | H | 35.8 | Very low | 29.2 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 40% | 0.398 | 71% | 0.706 | S | S | . | * | 45.5 | 78.4 | 88.2 | -92.4 | -34.4 | 0 | 0 | 0 | 114.1 | N2076 M2081 | N2076-H2078 HydrophobicContact CB-CB 3.85Å; N2076-H2078 WeakPolarHBondContact CB-CD2 3.4Å; N2076-H2078 PolarHBondContact ND2-CE1 3.39Å; N2076-H2078 PolarHBondContact ND2-ND1 3.06Å; N2076-H2078 PolarHBondContact ND2-NE2 3.42Å; N2076-H2078 VanDerWaalsContact ND2-NE2 3.18Å; H2078-M2081 PolarHBondContact CE1-O 3.17Å | |||
| 2079 | K | 25.1 | Very low | 29.2 | Very low | 208 Ų | 208 | 128.3 Ų | 128.3 | 90% | 0.904 | 71% | 0.707 | S | S | * | * | S | Bend | -104.2 | 139.8 | 89.6 | -68.5 | -179.5 | 177 | -177.3 | 0 | 107.5 | |||
| 2080 | S | 27.5 | Very low | 29.4 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | S | Bend | cis | -151.1 | 156.3 | -1.8 | 41 | 0 | 0 | 0 | 0 | 107.1 | ||
| 2081 | M | 24.5 | Very low | 29.7 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 58% | 0.581 | 71% | 0.705 | S | S | * | * | cis | -126 | 168.9 | 13.6 | -62 | 152.7 | 53.6 | 0 | 0 | 111.6 | H2078 | H2078-M2081 PolarHBondContact CE1-O 3.17Š| ||
| 2082 | E | 29.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | trans | 33.4 | 133 | 139.7 | -71.5 | 141.6 | -147.7 | 0 | 0 | 120.8 | S2283 | E2082-S2283 PolarHBondContact OE1-OG 3.11Å; E2082-S2283 VanDerWaalsContact OE1-OG 3.13Å | ||
| 2083 | C | 28.9 | Very low | 29.7 | Very low | 102 Ų | 102 | 125 Ų | 125 | 69% | 0.689 | 70% | 0.696 | S | S | * | * | cis | -161.5 | 170 | 12 | -178.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 2084 | C | 31.8 | Very low | 29.9 | Very low | 88 Ų | 88 | 131 Ų | 131 | 60% | 0.595 | 71% | 0.711 | S | S | * | * | trans | 92.4 | 97.8 | 132.6 | -67.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 2085 | H | 33.9 | Very low | 29.9 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | trans | 82.2 | 106.2 | 140.1 | -57.2 | 106.2 | 0 | 0 | 0 | 122.6 | ||||
| 2086 | S | 31.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 38.5 | 142.7 | 130.4 | 60.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 2087 | G | 30.7 | Very low | 29.7 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 71% | 0.711 | S | S | * | * | cis | 146.9 | 170.6 | -4.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2088 | T | 27.5 | Very low | 29.7 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | trans | 68 | 128.6 | 155.9 | 43.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 2089 | Q | 29.5 | Very low | 29.4 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | trans | 95.3 | 103.7 | 135.6 | -72.8 | 167.1 | 49.2 | 0 | 0 | 122.5 | ||||
| 2090 | T | 29.7 | Very low | 29.5 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | trans | -42.4 | 159.8 | 139.3 | 44.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2091 | P | 33.3 | Very low | 29.5 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | -160.2 | 161.7 | 71.8 | 42.7 | -20.2 | 0 | 0 | 0 | 121.8 | |||||
| 2092 | E | 28.5 | Very low | 29.5 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | trans | 48.5 | 128.8 | 137.4 | -64.8 | -156.6 | 154.9 | 0 | 0 | 126.5 | ||||
| 2093 | K | 28.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | trans | 51.3 | 124.2 | 130.9 | -54.5 | 169.1 | -170.7 | 150.7 | 0 | 120.8 | ||||
| 2094 | R | 31.5 | Very low | 29.7 | Very low | 246 Ų | 246 | 130.4 Ų | 130.4 | 93% | 0.928 | 72% | 0.721 | S | S | * | * | -179.7 | 176.4 | 104.2 | -98.1 | 173.4 | -177.6 | 175.5 | 2.6 | 114.2 | |||||
| 2095 | K | 27.2 | Very low | 29.7 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 84% | 0.839 | 73% | 0.729 | S | S | * | * | trans | -105.2 | 157.2 | -164.4 | -56.4 | 177.5 | 176.3 | 179.6 | 0 | 114.6 | ||||
| 2096 | S | 31.8 | Very low | 29.7 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | 77.6 | 129 | 128.3 | 62.5 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 2097 | T | 29.7 | Very low | 29.4 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 52% | 0.515 | 73% | 0.733 | S | S | . | * | 88.8 | 109.1 | 127.4 | 47.5 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 2098 | L | 27.6 | Very low | 29.2 | Very low | 138 Ų | 138 | 137 Ų | 137 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | 73.9 | 138.4 | 106.6 | -146.9 | 157.9 | 0 | 0 | 0 | 119.2 | |||||
| 2099 | I | 29.7 | Very low | 29.1 | Very low | 68 Ų | 68 | 139.7 Ų | 139.7 | 35% | 0.349 | 74% | 0.744 | S | S | . | * | trans | 155.2 | 120.4 | 140 | -82.3 | 164.7 | 0 | 0 | 0 | 116.9 | N2330 | I2099-N2330 HydrophobicContact CD1-CB 4.45Å; I2099-N2330 WeakPolarHBondContact CD1-OD1 3.34Å | ||
| 2100 | R | 28.2 | Very low | 28.9 | Very low | 211 Ų | 211 | 136.5 Ų | 136.5 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | 66.2 | 156.1 | 150.1 | -73.6 | 174.2 | -166.5 | 178.8 | 0.8 | 121 | ||||
| 2101 | S | 26.3 | Very low | 28.9 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | cis | -174.1 | 141.8 | -16.6 | 50 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2102 | V | 24.9 | Very low | 28.8 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | trans | 48.7 | 121.4 | 135.3 | -177 | 0 | 0 | 0 | 0 | 121 | ||||
| 2103 | S | 31.2 | Very low | 28.8 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | 177.7 | 156 | 125.6 | -75.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2104 | A | 30 | Very low | 28.8 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | trans | -126.1 | -169.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 2105 | P | 33.4 | Very low | 28.6 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | cis | -131.9 | -179.3 | -6.9 | 43.3 | -27.5 | 0 | 0 | 0 | 114.5 | ||||
| 2106 | L | 32.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 89% | 0.885 | 73% | 0.725 | S | S | * | * | trans | -177.9 | 173.4 | 142.8 | -103 | 160.5 | 0 | 0 | 0 | 111.5 | ||||
| 2107 | E | 26.7 | Very low | 28.5 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -117.1 | 164.1 | -165.1 | -59.4 | 167.8 | 126.9 | 0 | 0 | 113.2 | ||||
| 2108 | C | 24.9 | Very low | 28.3 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | 59.7 | 128.4 | 166 | 81.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 2109 | E | 26.6 | Very low | 28.2 | Very low | 182 Ų | 182 | 131.9 Ų | 131.9 | 85% | 0.85 | 74% | 0.743 | S | S | * | * | cis | -138.6 | 178.7 | -3.6 | -58.2 | -171 | 142.6 | 0 | 0 | 108.2 | ||||
| 2110 | C | 25.9 | Very low | 28 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | cis | -149.8 | -164.6 | 6.8 | -153.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 2111 | S | 29.1 | Very low | 27.9 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -66.8 | 143.5 | -177.5 | 56.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 2112 | D | 30.5 | Very low | 27.8 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | cis | -153.8 | 121.5 | -16.4 | -118.8 | -46.3 | 0 | 0 | 0 | 113.9 | ||||
| 2113 | C | 28 | Very low | 27.9 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | trans | 39.2 | 115.1 | 147.7 | -64 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 2114 | C | 29.5 | Very low | 27.6 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | 60.7 | 113 | 130.5 | -54.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2115 | S | 27.7 | Very low | 27.5 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | cis | 88.3 | 119.7 | 46.7 | 82 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2116 | K | 28.3 | Very low | 27.3 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | trans | -17.8 | 131.4 | 151.1 | -54.2 | 166.2 | 174.8 | 173.3 | 0 | 115.5 | D2355 | K2116-D2355 IonicContact NZ-OD2 2.7Å; K2116-D2355 PolarHBondContact NZ-OD2 3.32Å | ||
| 2117 | M | 27.1 | Very low | 27.1 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -172.1 | 141.7 | 144.9 | -110.8 | 169.1 | 60.5 | 0 | 0 | 116.2 | ||||
| 2118 | F | 25.8 | Very low | 27 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 48.6 | 118.2 | 166 | -70.8 | -94 | 0 | 0 | 0 | 119.7 | ||||
| 2119 | L | 26.9 | Very low | 27.1 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | cis | 77.1 | 112.4 | 20.9 | -151.3 | 90.8 | 0 | 0 | 0 | 117 | ||||
| 2120 | R | 25.8 | Very low | 27 | Very low | 227 Ų | 227 | 129.1 Ų | 129.1 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | trans | 52.3 | 118.6 | 156.3 | -72.8 | 170.6 | 178.3 | 169.4 | -0.8 | 119.6 | ||||
| 2121 | C | 24.2 | Very low | 27 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | -163.6 | 169.8 | 108.7 | -149.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 2122 | H | 25.5 | Very low | 26.9 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | trans | -48 | 160.3 | 169.7 | -64.6 | -114.9 | 0 | 0 | 0 | 112.8 | ||||
| 2123 | A | 25.9 | Very low | 26.7 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | cis | -169.5 | -174.2 | 40.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2124 | C | 26.5 | Very low | 26.7 | Very low | 110 Ų | 110 | 130 Ų | 130 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | trans | 66.3 | 110 | 158.2 | -64.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 2125 | Y | 26.4 | Very low | 26.5 | Very low | 223 Ų | 223 | 126.6 Ų | 126.6 | 88% | 0.875 | 66% | 0.658 | S | S | * | * | 78.8 | 128.2 | 78.1 | -99.8 | -100.3 | 0 | 0 | 0 | 114.6 | |||||
| 2126 | A | 30.4 | Very low | 26.5 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | trans | -80.9 | 157.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2127 | P | 28.5 | Very low | 26.4 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 66% | 0.662 | 63% | 0.634 | S | S | * | * | -102 | 153.7 | 119.4 | -16.1 | 33.7 | 0 | 0 | 0 | 110.5 | |||||
| 2128 | L | 24.7 | Very low | 26.3 | Very low | 87 Ų | 87 | 120.7 Ų | 120.7 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | cis | 65.3 | 151.1 | 42.1 | -70 | -178 | 0 | 0 | 0 | 114.5 | D2318 Q2319 | L2128-D2318 WeakPolarHBondContact CD2-OD1 3.45Å; L2128-Q2319 HydrophobicContact CD1-CG 4.13Å | ||
| 2129 | V | 25.7 | Very low | 26.4 | Very low | 92 Ų | 92 | 120.1 Ų | 120.1 | 56% | 0.558 | 62% | 0.618 | S | S | * | * | trans | 74.4 | 109.2 | -174.8 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2130 | R | 25.3 | Very low | 26.4 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 45% | 0.449 | 62% | 0.617 | S | S | . | * | 64.1 | 141.3 | 75.5 | -67.7 | 178.8 | -98.1 | 160.2 | -9.4 | 111.4 | D2318 Q2319 | R2130-D2318 IonicContact CZ-OD2 2.77Å; R2130-D2318 IonicContact NE-OD2 2.6Å; R2130-D2318 IonicContact NH2-OD2 2.81Å; R2130-D2318 PolarHBondContact NH2-OD2 3.14Å; R2130-Q2319 VanDerWaalsContact NH2-NE2 3.15Å | |||
| 2131 | E | 25 | Very low | 26.7 | Very low | 141 Ų | 141 | 116.4 Ų | 116.4 | 66% | 0.659 | 61% | 0.614 | S | S | * | * | cis | -150.3 | 179.2 | 12.8 | -140.4 | 127.8 | -134.7 | 0 | 0 | 111.5 | ||||
| 2132 | H | 27.4 | Very low | 26.7 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 57% | 0.574 | 61% | 0.609 | S | S | * | * | trans | -2.3 | 144.8 | 151 | -87.7 | -124 | 0 | 0 | 0 | 120.5 | ||||
| 2133 | E | 26.1 | Very low | 26.7 | Very low | 111 Ų | 111 | 117 Ų | 117 | 52% | 0.519 | 61% | 0.606 | S | S | . | * | trans | 74.3 | 151.5 | 135.9 | -66.9 | 164.3 | -171.8 | 0 | 0 | 119.6 | P579 | P579-E2133 HydrophobicContact CB-CG 4.24Š| ||
| 2134 | D | 27.5 | Very low | 26.5 | Very low | 82 Ų | 82 | 117 Ų | 117 | 44% | 0.439 | 60% | 0.602 | S | S | . | * | trans | 68.6 | 93.2 | 135.8 | -80.7 | 35.3 | 0 | 0 | 0 | 122.6 | F578 P579 | F578-D2134 VanDerWaalsContact CB-OD1 3.23Å; F578-D2134 WeakPolarHBondContact CB-OD1 3.48Å; P579-D2134 WeakPolarHBondContact CB-OD1 3.27Å; P579-D2134 WeakPolarHBondContact CG-OD1 3.48Å | ||
| 2135 | A | 26.8 | Very low | 26.2 | Very low | 42 Ų | 42 | 118.8 Ų | 118.8 | 35% | 0.347 | 60% | 0.599 | S | S | . | * | 86.2 | 166.9 | 92.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | P577 F578 | P577-A2135 HydrophobicContact CB-CB 3.28Å; P577-A2135 HydrophobicContact CG-CB 3.3Å; F578-A2135 HydrophobicContact CB-CB 4.35Å; F578-A2135 HydrophobicContact CD2-CB 4.43Å | |||
| 2136 | R | 26.2 | Very low | 26.1 | Very low | 151 Ų | 151 | 117.1 Ų | 117.1 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | trans | 43.8 | 77.8 | 148.3 | -96.9 | 173.3 | -168.4 | 164.7 | 6.5 | 116.9 | N576 P577 | N576-R2136 HydrophobicContact CB-CG 3.77Å; N576-R2136 PolarHBondContact O-NE 3.01Å; N576-R2136 PolarHBondContact O-NH2 3.42Å; P577-R2136 HydrophobicContact CB-CB 4.48Å; P577-R2136 HydrophobicContact CB-CG 4.07Å; P577-R2136 HydrophobicContact CG-CB 4.26Å; P577-R2136 HydrophobicContact CG-CG 3.72Å | ||
| 2137 | A | 26.6 | Very low | 25.9 | Very low | 44 Ų | 44 | 120 Ų | 120 | 36% | 0.364 | 60% | 0.596 | S | S | . | * | 71.3 | 126.7 | 98.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | N576 | N576-A2137 HydrophobicContact CB-CB 4.32Š| |||
| 2138 | K | 25.9 | Very low | 25.7 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | trans | 71.7 | 175.8 | 144.5 | -55.7 | 151.5 | -169.7 | 175 | 0 | 115.1 | ||||
| 2139 | H | 27.2 | Very low | 25.6 | Very low | 162 Ų | 162 | 120.5 Ų | 120.5 | 75% | 0.75 | 61% | 0.607 | S | S | * | * | trans | 54.9 | 88.7 | 165.1 | -47.7 | -63 | 0 | 0 | 0 | 114.4 | ||||
| 2140 | S | 27.6 | Very low | 25.6 | Very low | 94 Ų | 94 | 122.2 Ų | 122.2 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | cis | -159.8 | 152.7 | 46.1 | 62 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2141 | K | 30.3 | Very low | 25.6 | Very low | 186 Ų | 186 | 125.3 Ų | 125.3 | 81% | 0.809 | 63% | 0.625 | S | S | * | * | cis | 66.2 | 26.5 | 18.5 | -144.2 | 171.3 | -171.2 | 168.6 | 0 | 115.9 | K2143 | K2141-K2143 VanDerWaalsContact O-CB 3.29Å; K2141-K2143 WeakPolarHBondContact O-CB 3.48Å | ||
| 2142 | L | 25.1 | Very low | 25.6 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 71% | 0.712 | 62% | 0.618 | S | S | * | * | trans | -90 | 112.8 | 135.6 | -79.4 | 159.7 | 0 | 0 | 0 | 106 | ||||
| 2143 | K | 25.1 | Very low | 25.6 | Very low | 175 Ų | 175 | 119 Ų | 119 | 76% | 0.761 | 61% | 0.605 | S | S | * | * | cis | 61.1 | 152.8 | 22.9 | -152.3 | -163.9 | 179.4 | -162 | 0 | 110.6 | K2141 | K2141-K2143 VanDerWaalsContact O-CB 3.29Å; K2141-K2143 WeakPolarHBondContact O-CB 3.48Å | ||
| 2144 | S | 22.2 | Very low | 25.6 | Very low | 83 Ų | 83 | 117.3 Ų | 117.3 | 58% | 0.58 | 60% | 0.602 | S | S | * | * | trans | 76.4 | 146.8 | -176.1 | 89.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2145 | E | 20.7 | Very low | 25.5 | Very low | 146 Ų | 146 | 122 Ų | 122 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | cis | -163.5 | 160.6 | -21.2 | -119.4 | 156.6 | -166.6 | 0 | 0 | 111.9 | ||||
| 2146 | Y | 24.1 | Very low | 25.4 | Very low | 188 Ų | 188 | 124 Ų | 124 | 74% | 0.737 | 63% | 0.626 | S | S | * | * | trans | 69.3 | 143 | 160.7 | -61.9 | -178.1 | 0 | 0 | 0 | 115.5 | ||||
| 2147 | L | 25.6 | Very low | 25.4 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | cis | 65.4 | 136.6 | 49.7 | -61.8 | 161.1 | 0 | 0 | 0 | 111.6 | ||||
| 2148 | P | 25 | Very low | 25.4 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | cis | -102.8 | 153.4 | 13.1 | 40.7 | -33.6 | 0 | 0 | 0 | 112.7 | ||||
| 2149 | S | 22.3 | Very low | 25.8 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 67% | 0.667 | S | S | * | * | 49.1 | 146.8 | 66.4 | 73.4 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 2150 | L | 25.3 | Very low | 25.9 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 67% | 0.67 | 66% | 0.662 | S | S | * | * | trans | 107.9 | 128.5 | 172.6 | -58.4 | 163.1 | 0 | 0 | 0 | 118.5 | R2164 | L2150-R2164 PolarHBondContact O-NH1 3.12Š| ||
| 2151 | Y | 25.6 | Very low | 25.8 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | trans | 56.7 | 147.9 | 148 | -77.6 | -116.5 | 0 | 0 | 0 | 121.9 | R2164 | Y2151-R2164 PolarHBondContact O-NH1 3.32Š| ||
| 2152 | N | 25.3 | Very low | 25.6 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 51% | 0.513 | 68% | 0.675 | S | S | . | * | cis | -163.5 | 137.6 | -28.2 | -159.8 | 10 | 0 | 0 | 0 | 112.9 | R2165 | N2152-R2165 VanDerWaalsContact C-CD 3.46Å; N2152-R2165 WeakPolarHBondContact O-CD 3.46Å; N2152-R2165 PolarHBondContact O-NH2 2.96Å | ||
| 2153 | A | 27.4 | Very low | 25.4 | Very low | 37 Ų | 37 | 132.6 Ų | 132.6 | 31% | 0.306 | 67% | 0.668 | S | S | . | * | trans | 41.5 | 122.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 126 | R2165 H2166 | A2153-R2165 VanDerWaalsContact C-NE 3.31Å; A2153-R2165 VanDerWaalsContact O-CD 3.25Å; A2153-R2165 WeakPolarHBondContact O-CD 3.47Å; A2153-R2165 PolarHBondContact O-NE 2.95Å; A2153-R2165 PolarHBondContact O-NH1 2.85Å; A2153-R2165 PolarHBondContact O-NH2 3.19Å; A2153-H2166 WeakPolarHBondContact CA-NE2 3.43Å | ||
| 2154 | T | 25.6 | Very low | 25.3 | Very low | 75 Ų | 75 | 132 Ų | 132 | 46% | 0.46 | 66% | 0.661 | S | S | . | * | trans | 93.4 | 121.9 | 166.9 | 79.1 | 0 | 0 | 0 | 0 | 124 | R2165 | T2154-R2165 PolarHBondContact O-NE 2.92Å; T2154-R2165 PolarHBondContact O-NH1 3.4Å; T2154-R2165 PolarHBondContact OG1-NH1 2.9Å | ||
| 2155 | Y | 26.7 | Very low | 25.2 | Very low | 181 Ų | 181 | 133.6 Ų | 133.6 | 71% | 0.71 | 65% | 0.654 | S | S | * | * | trans | 62.2 | 148.8 | 139.1 | -81 | -125.4 | 0 | 0 | 0 | 122.5 | V2163 R2164 | Y2155-V2163 WeakPolarHBondContact O-CG1 3.45Å; Y2155-R2164 VanDerWaalsContact O-O 3.09Å | ||
| 2156 | S | 24.6 | Very low | 25.4 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 58% | 0.58 | 65% | 0.649 | S | S | * | * | cis | -178.4 | 160.6 | -13.2 | 54.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2157 | R | 24.9 | Very low | 25.4 | Very low | 224 Ų | 224 | 131.7 Ų | 131.7 | 85% | 0.845 | 65% | 0.649 | S | S | * | * | trans | 62.5 | 72.2 | 162.3 | -83.7 | -170.1 | 175.6 | 175.2 | 0.1 | 122.2 | K2159 | R2157-K2159 CarbonylContact C-O 3.55Š| ||
| 2158 | S | 27.2 | Very low | 25.4 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 33.2 | 111.8 | 138 | 58.8 | 0 | 0 | 0 | 0 | 118.1 | ||
| 2159 | K | 34.1 | Very low | 25.6 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | 80.9 | 156.9 | -116 | -58.7 | 147.3 | -172.9 | 172.4 | 0 | 110.2 | R2157 | R2157-K2159 CarbonylContact C-O 3.55Š| |||
| 2160 | P | 29.8 | Very low | 25.9 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | S | Bend | cis | -99.6 | -143.8 | -35.2 | 32.6 | -15.2 | 0 | 0 | 0 | 108.4 | T2162 | P2160-T2162 PolarHBondContact O-N 3.45Š|
| 2161 | W | 24.8 | Very low | 26.1 | Very low | 258 Ų | 258 | 129.1 Ų | 129.1 | 98% | 0.977 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -53.5 | 136.7 | 155 | -86.2 | 35.2 | 0 | 0 | 0 | 109.4 | V2163 | W2161-V2163 PolarHBondContact O-N 3.02Š|
| 2162 | T | 25.9 | Very low | 26.5 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 122.9 | -140.3 | 53.5 | 0 | 0 | 0 | 0 | 115.9 | P2160 R2164 | P2160-T2162 PolarHBondContact O-N 3.45Å; T2162-R2164 PolarHBondContact O-N 2.95Å |
| 2163 | V | 21.2 | Very low | 26.6 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 56% | 0.564 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 123.3 | 149.4 | -165.3 | 0 | 0 | 0 | 0 | 107 | Y2155 W2161 | Y2155-V2163 WeakPolarHBondContact O-CG1 3.45Å; W2161-V2163 PolarHBondContact O-N 3.02Å |
| 2164 | R | 22.4 | Very low | 26.7 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 173.9 | 169.4 | -66.1 | 173.9 | 175.2 | -174.8 | -1.5 | 108.4 | L2150 Y2151 Y2155 T2162 | L2150-R2164 PolarHBondContact O-NH1 3.12Å; Y2151-R2164 PolarHBondContact O-NH1 3.32Å; Y2155-R2164 VanDerWaalsContact O-O 3.09Å; T2162-R2164 PolarHBondContact O-N 2.95Å |
| 2165 | R | 21.1 | Very low | 26.7 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 44% | 0.438 | 70% | 0.701 | S | S | . | * | 173 | 121.7 | 65.3 | -68.7 | -173.1 | -86.1 | -175.9 | -173.4 | 107.8 | N2152 A2153 T2154 | N2152-R2165 VanDerWaalsContact C-CD 3.46Å; N2152-R2165 WeakPolarHBondContact O-CD 3.46Å; N2152-R2165 PolarHBondContact O-NH2 2.96Å; A2153-R2165 VanDerWaalsContact C-NE 3.31Å; A2153-R2165 VanDerWaalsContact O-CD 3.25Å; A2153-R2165 WeakPolarHBondContact O-CD 3.47Å; A2153-R2165 PolarHBondContact O-NE 2.95Å; A2153-R2165 PolarHBondContact O-NH1 2.85Å; A2153-R2165 PolarHBondContact O-NH2 3.19Å; T2154-R2165 PolarHBondContact O-NE 2.92Å; T2154-R2165 PolarHBondContact O-NH1 3.4Å; T2154-R2165 PolarHBondContact OG1-NH1 2.9Å | |||
| 2166 | H | 25 | Very low | 26.7 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 57% | 0.565 | 70% | 0.7 | S | S | * | * | trans | 68.7 | 152.7 | -178.9 | -62 | -45.7 | 0 | 0 | 0 | 116.4 | A2153 | A2153-H2166 WeakPolarHBondContact CA-NE2 3.43Š| ||
| 2167 | K | 23.9 | Very low | 26.9 | Very low | 172 Ų | 172 | 140 Ų | 140 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | cis | -146.6 | 132.7 | -9.4 | -112.8 | 160 | -176.5 | -179 | 0 | 106.3 | ||||
| 2168 | C | 24.5 | Very low | 27.1 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | 56.8 | 86.8 | 87.1 | -50.9 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 2169 | S | 29.1 | Very low | 27.1 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -155.3 | 100.7 | 131.7 | 53.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2170 | S | 29.2 | Very low | 26.7 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | 51.2 | 120.5 | 82.1 | 73.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 2171 | G | 30.9 | Very low | 26.5 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | cis | -172.5 | -147.2 | 10.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2172 | I | 32.1 | Very low | 26.6 | Very low | 150 Ų | 150 | 124.8 Ų | 124.8 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | cis | -140.9 | 113.6 | 11.7 | -79.9 | 176.6 | 0 | 0 | 0 | 105.7 | ||||
| 2173 | S | 28.9 | Very low | 26.7 | Very low | 74 Ų | 74 | 123.3 Ų | 123.3 | 52% | 0.517 | 68% | 0.682 | S | S | . | * | 76.6 | 145.4 | 92.1 | -144.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 2174 | R | 28.9 | Very low | 27 | Very low | 184 Ų | 184 | 129.1 Ų | 129.1 | 69% | 0.694 | 69% | 0.694 | S | S | * | * | trans | 74.7 | 130.8 | 156.8 | -71.8 | 153.2 | -151.5 | -152 | 1 | 116.2 | ||||
| 2175 | R | 25.7 | Very low | 27.2 | Very low | 196 Ų | 196 | 126.6 Ų | 126.6 | 74% | 0.74 | 69% | 0.692 | S | S | * | * | 68.9 | 129.8 | 71.4 | -142.9 | -159.9 | -81.3 | 175.9 | -10.5 | 107.3 | |||||
| 2176 | M | 27.5 | Very low | 27.5 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | cis | -157 | 165.3 | 36.9 | -42.2 | -145 | -163.5 | 0 | 0 | 113.8 | ||||
| 2177 | T | 27.5 | Very low | 27.6 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 87% | 0.865 | 70% | 0.704 | S | S | * | * | trans | 55.1 | 170.6 | 137.7 | 55.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2178 | G | 29.4 | Very low | 27.9 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 70% | 0.698 | S | S | * | * | trans | 95.2 | 82.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2179 | S | 26.9 | Very low | 27.9 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | 65.4 | 121.9 | 72 | 90 | 0 | 0 | 0 | 0 | 111 | |||||
| 2180 | S | 25.9 | Very low | 27.9 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 69% | 0.691 | S | S | * | * | 78.2 | 136 | 101.5 | 76.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 2181 | T | 26.2 | Very low | 27.7 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | cis | -176.8 | 158.8 | 4.6 | 9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 2182 | Q | 27.3 | Very low | 27.5 | Very low | 167 Ų | 167 | 133.6 Ų | 133.6 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | trans | 65.2 | 163.7 | 150.1 | -69.4 | 158.6 | -2.2 | 0 | 0 | 115.1 | ||||
| 2183 | T | 27.1 | Very low | 27.2 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 58% | 0.583 | 69% | 0.688 | S | S | * | * | cis | -142.7 | 154 | -4.3 | -5.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 2184 | R | 26.6 | Very low | 27.1 | Very low | 215 Ų | 215 | 135 Ų | 135 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | 37.2 | 141.3 | 100.6 | -58.7 | -179.7 | -170.5 | 156.4 | -4.8 | 115 | |||||
| 2185 | L | 27.7 | Very low | 27 | Very low | 110 Ų | 110 | 133 Ų | 133 | 58% | 0.576 | 70% | 0.703 | S | S | * | * | cis | -152.4 | 136.8 | 27.4 | -100.5 | 114.2 | 0 | 0 | 0 | 107.9 | I570 | I570-L2185 WeakPolarHBondContact CD1-O 3.4Š| ||
| 2186 | S | 27.8 | Very low | 27.1 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 54% | 0.538 | 70% | 0.699 | S | S | . | * | 73 | 153.5 | 89.8 | 100.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 2187 | R | 27 | Very low | 27.1 | Very low | 188 Ų | 188 | 128.5 Ų | 128.5 | 71% | 0.709 | 69% | 0.688 | S | S | * | * | cis | -175.6 | 162.8 | 14.5 | -134 | 161.6 | -175.6 | 176.2 | -1.4 | 109.8 | ||||
| 2188 | H | 28.9 | Very low | 27 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | trans | 69.1 | 154 | 156.3 | -62.1 | -43.9 | 0 | 0 | 0 | 116.7 | ||||
| 2189 | R | 25.9 | Very low | 27.3 | Very low | 200 Ų | 200 | 125.8 Ų | 125.8 | 76% | 0.755 | 66% | 0.663 | S | S | * | * | cis | -162.4 | 168.6 | -5.5 | -125.2 | 171.3 | -177.1 | 165.6 | -0.7 | 111.4 | ||||
| 2190 | S | 27.7 | Very low | 27.2 | Very low | 90 Ų | 90 | 124 Ų | 124 | 63% | 0.629 | 64% | 0.641 | S | S | * | * | trans | 53.5 | 119.4 | 154.1 | 51.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2191 | E | 25.7 | Very low | 27 | Very low | 173 Ų | 173 | 122.2 Ų | 122.2 | 81% | 0.808 | 63% | 0.628 | S | S | * | * | cis | 92.9 | 124.1 | 49.5 | -73.4 | 163.2 | 136.9 | 0 | 0 | 114.5 | ||||
| 2192 | S | 26.8 | Very low | 27 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 78% | 0.776 | 62% | 0.619 | S | S | * | * | trans | 80.8 | 120.7 | 152.6 | 67.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 2193 | S | 26.3 | Very low | 27 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 71% | 0.713 | 62% | 0.624 | S | S | * | * | trans | 79.4 | 115.4 | 133.9 | 48.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 2194 | L | 27 | Very low | 26.9 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 80% | 0.796 | 63% | 0.634 | S | S | * | * | trans | 92.8 | 112.1 | 132 | -66.2 | 165.1 | 0 | 0 | 0 | 122.7 | ||||
| 2195 | L | 25.9 | Very low | 26.8 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | trans | 77.9 | 137.7 | 133.7 | -77.5 | 164.9 | 0 | 0 | 0 | 123.4 | ||||
| 2196 | H | 28.1 | Very low | 27.1 | Very low | 143 Ų | 143 | 121.1 Ų | 121.1 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | trans | 74.5 | 132.8 | 157.6 | -79 | -50.4 | 0 | 0 | 0 | 122.3 | ||||
| 2197 | Q | 26.6 | Very low | 27.1 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 46% | 0.463 | 65% | 0.647 | S | S | . | * | trans | 56.7 | 105.2 | 141.1 | -65.5 | 169.2 | 66 | 0 | 0 | 117.4 | T626 | T626-Q2197 HydrophobicContact CG2-CB 4.27Š| ||
| 2198 | C | 26.3 | Very low | 26.9 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | 115 | 165.1 | 62 | -100.2 | 0 | 0 | 0 | 0 | 110.8 | T626 | T626-C2198 HydrophobicContact CG2-CB 3.98Å; T626-C2198 CarbonylContact O-C 3.48Å; T626-C2198 WeakPolarHBondContact OG1-CB 3.47Å | |||
| 2199 | P | 35.4 | Very low | 27.1 | Very low | 67 Ų | 67 | 119.2 Ų | 119.2 | 44% | 0.435 | 65% | 0.65 | S | S | . | * | trans | -135.4 | -129.9 | -132.9 | 46.1 | -29.4 | 0 | 0 | 0 | 119.5 | T626 R627 N628 | T626-P2199 VanDerWaalsContact O-N 3.15Å; R627-P2199 VanDerWaalsContact CA-O 3.27Å; R627-P2199 WeakPolarHBondContact CA-O 3.49Å; R627-P2199 VanDerWaalsContact CG-CD 3.41Å; R627-P2199 HydrophobicContact CG-CG 3.68Å; N628-P2199 PolarHBondContact N-O 3.33Å; N628-P2199 VanDerWaalsContact N-O 3.13Å | ||
| 2200 | Y | 24.5 | Very low | 27.5 | Very low | 67 Ų | 67 | 113.4 Ų | 113.4 | 26% | 0.263 | 64% | 0.638 | S | S | . | * | trans | 52 | 178.3 | -161 | -73.6 | -32.6 | 0 | 0 | 0 | 115.3 | R627 N628 F639 E642 | R627-Y2200 HydrophobicContact CB-CD2 3.26Å; R627-Y2200 HydrophobicContact CB-CE2 3.66Å; R627-Y2200 HydrophobicContact CB-CG 3.87Å; R627-Y2200 HydrophobicContact CG-CD1 4.32Å; R627-Y2200 HydrophobicContact CG-CD2 3.56Å; R627-Y2200 HydrophobicContact CG-CE2 3.85Å; R627-Y2200 HydrophobicContact CG-CG 3.72Å; R627-Y2200 PolarHBondContact NH1-OH 3.46Å; N628-Y2200 WeakPolarHBondContact O-CB 3.37Å; F639-Y2200 HydrophobicContact CB-CE2 4.29Å; F639-Y2200 AromaticContact CD2-CD2 3.4Å; F639-Y2200 HydrophobicContact CD2-CD2 3.4Å; F639-Y2200 VanDerWaalsContact CD2-CD2 3.4Å; F639-Y2200 AromaticContact CD2-CE2 3.16Å; F639-Y2200 HydrophobicContact CD2-CE2 3.16Å; F639-Y2200 AromaticContact CE2-CD2 3.66Å; F639-Y2200 HydrophobicContact CE2-CD2 3.66Å; F639-Y2200 AromaticContact CE2-CE2 3.5Å; F639-Y2200 HydrophobicContact CE2-CE2 3.5Å; F639-Y2200 AromaticContact CG-CE2 3.97Å; F639-Y2200 HydrophobicContact CG-CE2 3.97Å; E642-Y2200 WeakPolarHBondContact CB-OH 3.45Å; E642-Y2200 PolarHBondContact OE1-OH 2.82Å; E642-Y2200 PolarHBondContact OE2-OH 2.97Å | ||
| 2201 | C | 23.3 | Very low | 27.4 | Very low | 55 Ų | 55 | 114.7 Ų | 114.7 | 37% | 0.372 | 64% | 0.644 | S | S | . | * | S | Bend | trans | 72.6 | 115.2 | -164.4 | -82.7 | 0 | 0 | 0 | 0 | 115.6 | N628 T2203 | N628-C2201 HydrophobicContact CB-CB 4.49Å; N628-C2201 PolarHBondContact O-N 2.8Å; N628-C2201 PolarHBondContact O-SG 2.66Å; C2201-T2203 PolarHBondContact O-N 3.29Å |
| 2202 | D | 26.3 | Very low | 27.3 | Very low | 82 Ų | 82 | 112.6 Ų | 112.6 | 44% | 0.439 | 64% | 0.638 | S | S | . | * | 59.8 | 56.4 | 126.2 | -48.3 | -33.9 | 0 | 0 | 0 | 118.2 | D631 L2204 | D631-D2202 PolarHBondContact N-OD2 3.28Å; D2202-L2204 PolarHBondContact O-N 2.88Å; D2202-L2204 VanDerWaalsContact O-N 3.07Å | |||
| 2203 | T | 26.2 | Very low | 27.1 | Very low | 146 Ų | 146 | 113.2 Ų | 113.2 | 90% | 0.896 | 63% | 0.632 | S | S | * | * | trans | -82.2 | 62.6 | 158.8 | -46.7 | 0 | 0 | 0 | 0 | 111.3 | C2201 | C2201-T2203 PolarHBondContact O-N 3.29Š| ||
| 2204 | L | 24.9 | Very low | 27 | Very low | 149 Ų | 149 | 113.9 Ų | 113.9 | 78% | 0.78 | 64% | 0.637 | S | S | * | * | trans | -74.5 | 161.4 | 157.8 | -123.5 | 171.6 | 0 | 0 | 0 | 109 | D2202 | D2202-L2204 PolarHBondContact O-N 2.88Å; D2202-L2204 VanDerWaalsContact O-N 3.07Å | ||
| 2205 | M | 24.6 | Very low | 26.8 | Very low | 141 Ų | 141 | 114.6 Ų | 114.6 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | trans | 75 | 114.8 | -179.5 | -49 | -71.7 | -95 | 0 | 0 | 114.3 | ||||
| 2206 | L | 35 | Very low | 26.7 | Very low | 148 Ų | 148 | 113 Ų | 113 | 78% | 0.775 | 64% | 0.635 | S | S | * | * | 57.2 | 134 | 76.3 | -67.6 | 172.8 | 0 | 0 | 0 | 112.7 | |||||
| 2207 | P | 26.7 | Very low | 26.6 | Very low | 112 Ų | 112 | 113 Ų | 113 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | -158.4 | 167.2 | 69.3 | 42.9 | -22.8 | 0 | 0 | 0 | 120.4 | |||||
| 2208 | V | 22.8 | Very low | 26.7 | Very low | 98 Ų | 98 | 114.5 Ų | 114.5 | 59% | 0.594 | 64% | 0.642 | S | S | * | * | trans | 67.6 | 120.5 | 139.8 | 160.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2209 | N | 32.9 | Very low | 26.7 | Very low | 150 Ų | 150 | 116 Ų | 116 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | 59.7 | 173.5 | 76.4 | -104.2 | -28.5 | 0 | 0 | 0 | 114.8 | |||||
| 2210 | P | 34.7 | Very low | 26.2 | Very low | 77 Ų | 77 | 119.2 Ų | 119.2 | 50% | 0.5 | 65% | 0.652 | S | S | . | * | cis | -122.7 | 177.6 | -19.5 | 37.1 | -21 | 0 | 0 | 0 | 112.9 | ||||
| 2211 | P | 25.5 | Very low | 26.3 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 65% | 0.648 | S | S | * | * | -156.1 | 125.6 | 103.1 | 36.3 | -15.7 | 0 | 0 | 0 | 118.3 | |||||
| 2212 | N | 23.4 | Very low | 26.4 | Very low | 129 Ų | 129 | 119.1 Ų | 119.1 | 69% | 0.69 | 65% | 0.651 | S | S | * | * | 43.4 | 114.7 | 126.1 | -61.6 | -41 | 0 | 0 | 0 | 124.2 | |||||
| 2213 | L | 21.9 | Very low | 26.4 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 65% | 0.654 | 66% | 0.662 | S | S | * | * | trans | 49.6 | 108.2 | 130.1 | -72.9 | 89.9 | 0 | 0 | 0 | 121.7 | K2215 | L2213-K2215 HydrophobicContact CD2-CG 4.46Š| ||
| 2214 | S | 24.2 | Very low | 26.4 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | -149.1 | 90.5 | 121.4 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 2215 | K | 23.4 | Very low | 26.5 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 73% | 0.726 | 65% | 0.653 | S | S | * | * | 56.1 | 107.5 | 93.7 | -78.2 | -175.4 | 168.9 | 173.9 | 0 | 115.6 | L2213 | L2213-K2215 HydrophobicContact CD2-CG 4.46Š| |||
| 2216 | S | 23.6 | Very low | 26.5 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | trans | 75.6 | 146.3 | 149.7 | 82.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 2217 | K | 26.8 | Very low | 26.2 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 62% | 0.617 | 65% | 0.648 | S | S | * | * | cis | -147.1 | 154.9 | 24.1 | -78 | -177.6 | 179.4 | 175.1 | 0 | 113.7 | ||||
| 2218 | I | 27.5 | Very low | 26.7 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 67% | 0.672 | 65% | 0.647 | S | S | * | * | trans | 72.3 | 102.7 | 142.2 | -73.7 | 166.3 | 0 | 0 | 0 | 115.1 | ||||
| 2219 | N | 26.3 | Very low | 26.9 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | 94.8 | 160.2 | 75.4 | -84.3 | 0.4 | 0 | 0 | 0 | 111.3 | M1010 | M1010-N2219 CarbonylContact O-C 3.53Š| |||
| 2220 | K | 25.8 | Very low | 26.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | cis | -173 | 140.8 | -15.9 | -119.4 | -151.5 | 162.9 | -162.2 | 0 | 104.8 | M1010 N1011 N1012 | M1010-K2220 PolarHBondContact O-N 3.02Å; N1011-K2220 CarbonylContact O-C 3.59Å; N1011-K2220 PolarHBondContact O-N 3.1Å; N1012-K2220 VanDerWaalsContact CB-O 3.24Å; N1012-K2220 WeakPolarHBondContact CB-O 3.18Å; N1012-K2220 PolarHBondContact ND2-O 2.73Å | ||
| 2221 | V | 26 | Very low | 26.4 | Very low | 28 Ų | 28 | 128 Ų | 128 | 17% | 0.17 | 65% | 0.654 | C | S | . | * | cis | -166.5 | 170.9 | 12.1 | 60.1 | 0 | 0 | 0 | 0 | 108.5 | N1011 N1012 | N1011-V2221 VanDerWaalsContact CB-C 3.42Å; N1012-V2221 VanDerWaalsContact CG-O 3.24Å; N1012-V2221 PolarHBondContact ND2-N 3.08Å; N1012-V2221 PolarHBondContact ND2-O 3.13Å; N1012-V2221 PolarHBondContact OD1-O 3.34Å | ||
| 2222 | E | 26.7 | Very low | 26.6 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 43% | 0.43 | 65% | 0.652 | S | S | . | * | trans | 77.2 | 145.6 | 155.4 | -84.1 | 129.2 | -140.7 | 0 | 0 | 121.4 | N1011 | N1011-E2222 PolarHBondContact ND2-N 3.18Š| ||
| 2223 | R | 25.5 | Very low | 26.7 | Very low | 182 Ų | 182 | 133 Ų | 133 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | cis | -172.8 | 171.9 | -24.5 | -129.7 | -173.8 | -143.4 | 112.3 | 24.7 | 112.9 | ||||
| 2224 | I | 26.2 | Very low | 27.3 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 72% | 0.723 | 65% | 0.647 | S | S | * | * | trans | 75.8 | 135.3 | 154.4 | -69.5 | 150.2 | 0 | 0 | 0 | 116.3 | ||||
| 2225 | L | 26.1 | Very low | 27.5 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | cis | -164.3 | 165.9 | -22.2 | -89.7 | -173.8 | 0 | 0 | 0 | 106.9 | ||||
| 2226 | S | 26.3 | Very low | 27.6 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 52% | 0.517 | 63% | 0.634 | S | S | . | * | cis | -177.6 | 137.4 | -36.2 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2227 | F | 27.1 | Very low | 27.8 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 83% | 0.829 | 63% | 0.628 | S | S | * | * | trans | 61.1 | 172.3 | 148.9 | -64.1 | -53.2 | 0 | 0 | 0 | 120.1 | ||||
| 2228 | P | 37.5 | Very low | 27.8 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 71% | 0.708 | 63% | 0.628 | S | S | * | * | cis | -113.1 | -145.2 | -33.1 | 28.4 | -7.9 | 0 | 0 | 0 | 109.9 | ||||
| 2229 | D | 28 | Very low | 27.8 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | cis | -156.7 | -175.3 | 5.4 | -139.9 | -48.8 | 0 | 0 | 0 | 112.9 | ||||
| 2230 | E | 27.9 | Very low | 27.8 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | trans | -103.8 | 165.1 | -169 | -64.3 | 164 | 157.1 | 0 | 0 | 113.6 | ||||
| 2231 | Y | 29.2 | Very low | 28 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 69% | 0.694 | 64% | 0.643 | S | S | * | * | 168.6 | 155.4 | 89.3 | -94.5 | -89 | 0 | 0 | 0 | 107.6 | |||||
| 2232 | Y | 28.5 | Very low | 28 | Very low | 183 Ų | 183 | 137.7 Ų | 137.7 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | cis | -158.7 | -146.6 | -10.3 | -150 | -120.4 | 0 | 0 | 0 | 112.7 | ||||
| 2233 | H | 27.4 | Very low | 28 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | trans | -165.2 | -166.8 | -164 | -119.8 | -24.6 | 0 | 0 | 0 | 110.5 | ||||
| 2234 | P | 33.8 | Very low | 28.3 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 46% | 0.461 | 69% | 0.69 | S | S | . | * | cis | -144.3 | -155.8 | -33.6 | 38.1 | -15.5 | 0 | 0 | 0 | 114.8 | ||||
| 2235 | I | 27.1 | Very low | 28.3 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 58% | 0.579 | 69% | 0.689 | S | S | * | * | trans | 85 | 137.5 | 150.5 | -80.1 | 167.1 | 0 | 0 | 0 | 118.6 | ||||
| 2236 | E | 26.7 | Very low | 28.2 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | cis | -170.7 | -164.5 | -18.2 | -130.4 | 163.7 | -126.7 | 0 | 0 | 106.7 | ||||
| 2237 | Q | 27.7 | Very low | 28.2 | Very low | 136 Ų | 136 | 138 Ų | 138 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | cis | -168.5 | 169.2 | 13.1 | -143.1 | 172.3 | 68.9 | 0 | 0 | 112.2 | ||||
| 2238 | N | 27.2 | Very low | 28 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | trans | 81 | 100.8 | 150.2 | -66.3 | -31.2 | 0 | 0 | 0 | 126.1 | ||||
| 2239 | L | 26.5 | Very low | 27.3 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | 73.6 | 143.8 | 126.1 | -60 | 168.8 | 0 | 0 | 0 | 121 | |||||
| 2240 | S | 27.4 | Very low | 27.1 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | cis | 172.7 | 158.1 | -11.7 | 54.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 2241 | Q | 28.7 | Very low | 26.8 | Very low | 154 Ų | 154 | 146 Ų | 146 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | cis | -165.7 | -158.9 | -8.3 | -118.6 | -171.8 | -99 | 0 | 0 | 109 | E2243 | Q2241-E2243 WeakPolarHBondContact CG-OE1 3.35Å; Q2241-E2243 PolarHBondContact NE2-OE1 3.16Å | ||
| 2242 | E | 26.6 | Very low | 26.9 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | trans | 78.8 | 113.3 | 173.1 | -57 | -178 | -175.1 | 0 | 0 | 116 | ||||
| 2243 | E | 26.1 | Very low | 26.7 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 73% | 0.729 | 69% | 0.689 | S | S | * | * | cis | 86.3 | 129.7 | 15.7 | -50.5 | 152.1 | -100.8 | 0 | 0 | 115.2 | Q2241 | Q2241-E2243 WeakPolarHBondContact CG-OE1 3.35Å; Q2241-E2243 PolarHBondContact NE2-OE1 3.16Å | ||
| 2244 | G | 32.3 | Very low | 26.5 | Very low | 67 Ų | 67 | 141.3 Ų | 141.3 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | cis | -178.2 | -165.1 | -1.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2245 | E | 25.7 | Very low | 26.1 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | 70.1 | 163.1 | 170.1 | -47.1 | -174.6 | 157 | 0 | 0 | 117.3 | F578 | F578-E2245 WeakPolarHBondContact CE1-OE2 3.13Å; F578-E2245 WeakPolarHBondContact CZ-OE2 3.38Å | ||
| 2246 | D | 25.4 | Very low | 25.9 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | cis | -154.6 | -178.9 | -14.8 | -139.1 | -13.5 | 0 | 0 | 0 | 116.2 | ||||
| 2247 | I | 25.5 | Very low | 25.8 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 68% | 0.677 | 71% | 0.709 | S | S | * | * | trans | -45.2 | 139.2 | 176 | -81.9 | 164.4 | 0 | 0 | 0 | 121.6 | ||||
| 2248 | Y | 23.8 | Very low | 25.6 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 71% | 0.714 | 71% | 0.706 | S | S | * | * | trans | 42 | 134.2 | 146.5 | -71.8 | -112.8 | 0 | 0 | 0 | 124.8 | ||||
| 2249 | Y | 22.6 | Very low | 25.5 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | trans | 68.5 | 164 | 149.1 | -87.5 | -64.8 | 0 | 0 | 0 | 121.5 | D142 | D142-Y2249 PolarHBondContact O-OH 2.55Š| ||
| 2250 | Y | 22.8 | Very low | 25.3 | Very low | 215 Ų | 215 | 140.7 Ų | 140.7 | 84% | 0.843 | 70% | 0.695 | S | S | * | * | trans | 92.8 | 122.8 | 161.3 | -88.2 | -79.5 | 0 | 0 | 0 | 123.3 | ||||
| 2251 | Q | 22.3 | Very low | 25.2 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 78% | 0.78 | 69% | 0.693 | S | S | * | * | trans | -63.1 | -176.4 | 151 | -55.2 | 178.2 | -10 | 0 | 0 | 111.7 | ||||
| 2252 | P | 30.4 | Very low | 25 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 60% | 0.604 | 69% | 0.686 | S | S | * | * | -133.7 | -155.6 | -55.5 | 38.4 | -20.9 | 0 | 0 | 0 | 110.8 | |||||
| 2253 | N | 24.1 | Very low | 24.8 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 56% | 0.556 | 68% | 0.678 | S | S | * | * | trans | 94.9 | 108.6 | 161 | -52.2 | -71.7 | 0 | 0 | 0 | 118.2 | K2255 | N2253-K2255 HydrophobicContact CB-CD 4.35Å; N2253-K2255 HydrophobicContact CB-CG 4.14Å | ||
| 2254 | Y | 24.7 | Very low | 24.7 | Very low | 232 Ų | 232 | 136.5 Ų | 136.5 | 91% | 0.91 | 68% | 0.678 | S | S | * | * | -137.8 | 107.5 | 105.2 | -94.1 | -85.5 | 0 | 0 | 0 | 106.8 | |||||
| 2255 | K | 24.7 | Very low | 24.2 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 52% | 0.522 | 68% | 0.683 | S | S | . | * | 71.7 | 111.3 | 62.1 | -81.5 | -179 | 170.1 | 179.1 | 0 | 114.8 | N2253 | N2253-K2255 HydrophobicContact CB-CD 4.35Å; N2253-K2255 HydrophobicContact CB-CG 4.14Å | |||
| 2256 | Q | 23.3 | Very low | 24.1 | Very low | 138 Ų | 138 | 141.2 Ų | 141.2 | 65% | 0.645 | 68% | 0.681 | S | S | * | * | trans | 65.8 | 125.2 | 141.1 | -54.9 | 167.6 | -87.6 | 0 | 0 | 114.7 | I2258 | Q2256-I2258 HydrophobicContact CB-CD1 3.96Å; Q2256-I2258 HydrophobicContact CB-CG1 4.25Å; Q2256-I2258 HydrophobicContact CG-CD1 3.76Å; Q2256-I2258 HydrophobicContact CG-CG1 4.25Å | ||
| 2257 | I | 24.9 | Very low | 24 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | -135 | 122.3 | 57 | -73.2 | 150.5 | 0 | 0 | 0 | 108.2 | |||||
| 2258 | I | 23 | Very low | 23.9 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 59% | 0.59 | 68% | 0.681 | S | S | * | * | 65.5 | 97 | 62.7 | -57 | 176 | 0 | 0 | 0 | 113.6 | Q2256 | Q2256-I2258 HydrophobicContact CB-CD1 3.96Å; Q2256-I2258 HydrophobicContact CB-CG1 4.25Å; Q2256-I2258 HydrophobicContact CG-CD1 3.76Å; Q2256-I2258 HydrophobicContact CG-CG1 4.25Å | |||
| 2259 | V | 23.8 | Very low | 24 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 76% | 0.764 | 68% | 0.682 | S | S | * | * | trans | 169.2 | 141.9 | 147.1 | 143.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2260 | S | 23.7 | Very low | 24.1 | Very low | 57 Ų | 57 | 140.1 Ų | 140.1 | 40% | 0.399 | 68% | 0.684 | S | S | . | * | cis | -158.1 | 167.7 | -29.3 | 74.1 | 0 | 0 | 0 | 0 | 110.8 | T2301 | S2260-T2301 WeakPolarHBondContact CB-O 3.36Å; S2260-T2301 PolarHBondContact OG-O 2.57Å | ||
| 2261 | H | 24.2 | Very low | 24.2 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 63% | 0.63 | 68% | 0.677 | S | S | * | * | trans | -22.3 | 123.4 | 161.7 | -60.3 | -97.2 | 0 | 0 | 0 | 118.1 | K2299 S2300 | H2261-K2299 PolarHBondContact NE2-O 2.93Å; H2261-S2300 PolarHBondContact CD2-O 2.59Å; H2261-S2300 PolarHBondContact NE2-N 3.24Å; H2261-S2300 PolarHBondContact NE2-O 3.48Å | ||
| 2262 | K | 24.5 | Very low | 24.4 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 57% | 0.574 | 67% | 0.674 | S | S | * | * | 176.1 | 129.7 | 124.6 | -94.5 | 148.9 | -144.4 | 106.8 | 0 | 109.7 | |||||
| 2263 | T | 22.9 | Very low | 24.2 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 67% | 0.669 | 68% | 0.683 | S | S | * | * | cis | 57.4 | 137.3 | 46.7 | 76.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 2264 | T | 23.2 | Very low | 24.4 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | 66.8 | 149.3 | 175.7 | 68.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 2265 | R | 23.6 | Very low | 24.6 | Very low | 209 Ų | 209 | 130.9 Ų | 130.9 | 79% | 0.789 | 67% | 0.673 | S | S | * | * | cis | -148.7 | 127 | -5.3 | -116.9 | 157.7 | 178.5 | -178 | -1.1 | 106.1 | ||||
| 2266 | T | 22.8 | Very low | 24.8 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 66% | 0.663 | 68% | 0.681 | S | S | * | * | 47.3 | 139.7 | 103.8 | 79.3 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 2267 | K | 22.9 | Very low | 25 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | trans | 74.9 | 122.4 | 137.6 | -82.5 | 179.8 | 172.6 | -163.8 | 0 | 119.6 | ||||
| 2268 | H | 24.7 | Very low | 25.3 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 70% | 0.704 | 69% | 0.686 | S | S | * | * | trans | 69.3 | 151.5 | 143.4 | -53 | -41.4 | 0 | 0 | 0 | 114.9 | ||||
| 2269 | M | 24.4 | Very low | 25.6 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 73% | 0.734 | 70% | 0.696 | S | S | * | * | cis | -159.9 | 154.6 | 16.8 | -141.1 | 157.4 | 170.5 | 0 | 0 | 109.4 | ||||
| 2270 | N | 25 | Very low | 26.2 | Very low | 134 Ų | 134 | 132 Ų | 132 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | trans | 69.8 | 156.3 | 157.7 | -55.2 | -26 | 0 | 0 | 0 | 115.9 | ||||
| 2271 | V | 25.3 | Very low | 26.5 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | cis | -156.3 | 145.9 | 1.6 | 94.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2272 | T | 26.7 | Very low | 26.7 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | trans | 59.7 | 156.8 | 164.6 | 58.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 2273 | K | 26.1 | Very low | 26.8 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | cis | -171 | 159 | -15.2 | -100.5 | -177.9 | 169.3 | -174.6 | 0 | 104.6 | ||||
| 2274 | T | 27.5 | Very low | 27 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 53% | 0.528 | 72% | 0.718 | S | S | . | * | cis | -156 | -147.4 | -14.3 | 33.4 | 0 | 0 | 0 | 0 | 103.9 | E2276 | T2274-E2276 WeakPolarHBondContact CG2-OE2 3.31Š| ||
| 2275 | T | 30 | Very low | 27.2 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | cis | -165.5 | 137.1 | -0 | -12.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 2276 | E | 28.5 | Very low | 27.4 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | cis | -162.3 | 146.7 | -30.4 | -140.6 | 77 | -77 | 0 | 0 | 107.6 | T2274 | T2274-E2276 WeakPolarHBondContact CG2-OE2 3.31Š| ||
| 2277 | S | 26.6 | Very low | 27.6 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 71% | 0.707 | S | S | * | * | trans | -149.3 | 156.6 | 165.3 | 65 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2278 | H | 32.7 | Very low | 27.7 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 78% | 0.782 | 71% | 0.711 | S | S | * | * | trans | -95.8 | 129.6 | -148.4 | -79.7 | -90.6 | 0 | 0 | 0 | 117.5 | ||||
| 2279 | L | 27.7 | Very low | 27.7 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | trans | 66.1 | 154.1 | 134.6 | -64.8 | 168.9 | 0 | 0 | 0 | 121.2 | ||||
| 2280 | P | 36.8 | Very low | 27.9 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | trans | -136.2 | -161.4 | -157.4 | 35.8 | -11.7 | 0 | 0 | 0 | 113.7 | ||||
| 2281 | I | 29.4 | Very low | 27.9 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 74% | 0.744 | 71% | 0.712 | S | S | * | * | 161.6 | 141.4 | 123.8 | -84.5 | 155.4 | 0 | 0 | 0 | 112.8 | |||||
| 2282 | S | 29 | Very low | 28.3 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 72% | 0.717 | S | S | * | * | trans | 64.1 | 164.8 | 169.9 | 76.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2283 | S | 27.8 | Very low | 28.3 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 52% | 0.517 | 72% | 0.72 | S | S | . | * | cis | -100.1 | -132.4 | 2.5 | 61.2 | 0 | 0 | 0 | 0 | 113.4 | E2082 | E2082-S2283 PolarHBondContact OE1-OG 3.11Å; E2082-S2283 VanDerWaalsContact OE1-OG 3.13Å | ||
| 2284 | L | 26.9 | Very low | 28.5 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -154.1 | 164.6 | -144.5 | -97.9 | 169.1 | 0 | 0 | 0 | 117.9 | ||||
| 2285 | R | 26.9 | Very low | 28.5 | Very low | 206 Ų | 206 | 132.3 Ų | 132.3 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | trans | 66.7 | 159.9 | 163.9 | -68.8 | -171.9 | 162.6 | 145.2 | 6 | 117.6 | ||||
| 2286 | E | 27.8 | Very low | 28.4 | Very low | 134 Ų | 134 | 132 Ų | 132 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | cis | -150.2 | 131.9 | -23.3 | -114.2 | 166.4 | -160.2 | 0 | 0 | 110.2 | ||||
| 2287 | N | 27 | Very low | 28.4 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 56% | 0.556 | 72% | 0.722 | S | S | * | * | 67 | 129.7 | 109.2 | -95.6 | -35.4 | 0 | 0 | 0 | 118.7 | |||||
| 2288 | R | 25 | Very low | 28.6 | Very low | 210 Ų | 210 | 133.7 Ų | 133.7 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | trans | 70.2 | 153 | 137.2 | -65.4 | 167.3 | -161.4 | -140.3 | 3.3 | 117.7 | ||||
| 2289 | L | 25.4 | Very low | 28.4 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 80% | 0.796 | 71% | 0.713 | S | S | * | * | cis | -166.5 | -169.7 | -27.7 | -149.6 | 90 | 0 | 0 | 0 | 106.4 | ||||
| 2290 | S | 27 | Very low | 28.5 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | trans | 51.8 | 97.6 | 151.1 | 53.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2291 | S | 26 | Very low | 28.2 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -17.7 | 159.6 | 131.8 | 56.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2292 | P | 32.3 | Very low | 28.3 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 81% | 0.805 | 68% | 0.678 | S | S | * | * | -132.4 | 139.8 | 102.9 | 36.9 | -30.3 | 0 | 0 | 0 | 115.4 | |||||
| 2293 | T | 27.7 | Very low | 28.3 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | trans | -82.8 | 146 | 155.7 | 47.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2294 | P | 30 | Very low | 28.2 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 60% | 0.604 | 69% | 0.687 | S | S | * | * | -132.4 | 161.9 | 117.9 | 14.1 | 6.5 | 0 | 0 | 0 | 110.2 | |||||
| 2295 | D | 28 | Very low | 28.2 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 69% | 0.685 | S | S | * | * | cis | -173.2 | 165.9 | -5 | -92 | -21.9 | 0 | 0 | 0 | 104.7 | ||||
| 2296 | V | 28.3 | Very low | 28 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.685 | 68% | 0.682 | S | S | * | * | cis | -153.7 | 124.9 | -10.9 | 123.8 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 2297 | L | 27.7 | Very low | 27.8 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | 82.2 | 90.6 | 64.8 | -158.6 | 173.3 | 0 | 0 | 0 | 113.7 | |||||
| 2298 | H | 30.8 | Very low | 28 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 75% | 0.75 | 70% | 0.696 | S | S | * | * | trans | 174.8 | 140 | 151.7 | -88.6 | -35.8 | 0 | 0 | 0 | 107.1 | ||||
| 2299 | K | 29.4 | Very low | 28 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | cis | -141.1 | 134 | -1.3 | -101.7 | 167.5 | -175.6 | 177.4 | 0 | 106.6 | H2261 | H2261-K2299 PolarHBondContact NE2-O 2.93Š| ||
| 2300 | S | 29 | Very low | 28 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 50% | 0.503 | 69% | 0.69 | S | S | . | * | 62.3 | 156.5 | 101.7 | 89.5 | 0 | 0 | 0 | 0 | 114.6 | H2261 | H2261-S2300 PolarHBondContact CD2-O 2.59Å; H2261-S2300 PolarHBondContact NE2-N 3.24Å; H2261-S2300 PolarHBondContact NE2-O 3.48Å | |||
| 2301 | T | 30 | Very low | 27.9 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 47% | 0.472 | 69% | 0.694 | S | S | . | * | cis | -160.4 | 128.4 | 9.1 | -11.1 | 0 | 0 | 0 | 0 | 105.9 | S2260 | S2260-T2301 WeakPolarHBondContact CB-O 3.36Å; S2260-T2301 PolarHBondContact OG-O 2.57Å | ||
| 2302 | T | 32.6 | Very low | 28 | Very low | 82 Ų | 82 | 131.8 Ų | 131.8 | 50% | 0.503 | 69% | 0.694 | S | S | . | * | 73.5 | 155.4 | 113.6 | 52.2 | 0 | 0 | 0 | 0 | 116 | |||||
| 2303 | K | 27.9 | Very low | 27.8 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | cis | 178.8 | 138.5 | -33.1 | -123.1 | -175.8 | 173 | -174.4 | 0 | 104.8 | ||||
| 2304 | L | 26.8 | Very low | 27.8 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 73% | 0.728 | 69% | 0.687 | S | S | * | * | trans | 48 | 127.9 | 143.9 | -72.1 | 162.7 | 0 | 0 | 0 | 121.8 | ||||
| 2305 | R | 25.7 | Very low | 27.9 | Very low | 211 Ų | 211 | 139 Ų | 139 | 80% | 0.796 | 70% | 0.701 | S | S | * | * | trans | 82.5 | 164.6 | 146.4 | -69.3 | -175.3 | 174.1 | -171.4 | -4.7 | 120.4 | ||||
| 2306 | E | 23.3 | Very low | 28.1 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | trans | 71.9 | 92.5 | 161.9 | -73.6 | 127.6 | -123.9 | 0 | 0 | 118.7 | ||||
| 2307 | I | 24.8 | Very low | 28.2 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | 7.9 | 133.1 | 116.1 | -45.9 | 171.7 | 0 | 0 | 0 | 114.9 | |||||
| 2308 | P | 30.4 | Very low | 28.2 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 66% | 0.656 | 68% | 0.684 | S | S | * | * | cis | -137.7 | -158.1 | -26.4 | 42.2 | -22.4 | 0 | 0 | 0 | 112.2 | ||||
| 2309 | I | 25.7 | Very low | 28.1 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 74% | 0.744 | 67% | 0.668 | S | S | * | * | trans | 61.3 | 99.9 | 149.3 | -69.4 | 171.1 | 0 | 0 | 0 | 119.6 | ||||
| 2310 | T | 24.4 | Very low | 28.1 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | trans | 54.8 | 144.2 | 141.5 | 50.4 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 2311 | I | 25.8 | Very low | 28 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 74% | 0.744 | 68% | 0.68 | S | S | * | * | trans | 102.9 | 128.3 | 133.3 | -86 | 161.6 | 0 | 0 | 0 | 123.1 | ||||
| 2312 | Q | 27.4 | Very low | 28 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 70% | 0.696 | S | S | * | * | trans | 71.9 | 112.6 | 152.3 | -81.9 | 172.9 | 12.2 | 0 | 0 | 126.8 | ||||
| 2313 | R | 28.3 | Very low | 27.7 | Very low | 206 Ų | 206 | 140.5 Ų | 140.5 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | 71.4 | 130.4 | 115.3 | -80.1 | -172.4 | 176.4 | 166.7 | 0.9 | 126.6 | |||||
| 2314 | D | 28.2 | Very low | 27.8 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | trans | 85.4 | 142.4 | 130.5 | -57.9 | -8 | 0 | 0 | 0 | 126.6 | ||||
| 2315 | N | 32 | Very low | 27.8 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 90% | 0.898 | 71% | 0.707 | S | S | * | * | trans | 81.1 | 158.5 | 154.9 | -66.1 | -36.1 | 0 | 0 | 0 | 122.6 | ||||
| 2316 | G | 32 | Very low | 28.1 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | trans | -139.9 | -123.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 2317 | Y | 29.6 | Very low | 28.3 | Very low | 185 Ų | 185 | 135.5 Ų | 135.5 | 73% | 0.725 | 71% | 0.706 | S | S | * | * | trans | 88.6 | 107.1 | -175.6 | -86.9 | -109.2 | 0 | 0 | 0 | 120.3 | ||||
| 2318 | D | 28.3 | Very low | 28.5 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 38% | 0.38 | 70% | 0.703 | S | S | . | * | 58.4 | 138.6 | 112.6 | -91.2 | 27 | 0 | 0 | 0 | 126.6 | L2128 R2130 | L2128-D2318 WeakPolarHBondContact CD2-OD1 3.45Å; R2130-D2318 IonicContact CZ-OD2 2.77Å; R2130-D2318 IonicContact NE-OD2 2.6Å; R2130-D2318 IonicContact NH2-OD2 2.81Å; R2130-D2318 PolarHBondContact NH2-OD2 3.14Å | |||
| 2319 | Q | 27.7 | Very low | 28.4 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 43% | 0.43 | 71% | 0.708 | S | S | . | * | trans | 93.3 | 152.2 | 132.7 | -82.2 | -177.5 | 33.9 | 0 | 0 | 124.7 | L2128 R2130 | L2128-Q2319 HydrophobicContact CD1-CG 4.13Å; R2130-Q2319 VanDerWaalsContact NH2-NE2 3.15Å | ||
| 2320 | M | 30.4 | Very low | 28.5 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 74% | 0.744 | 70% | 0.695 | S | S | * | * | trans | 78.8 | 153.1 | 163.9 | -53.8 | -152.1 | -170.2 | 0 | 0 | 119.8 | ||||
| 2321 | N | 26.9 | Very low | 28.8 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | cis | 176.2 | 168.8 | -46.3 | -110.9 | -28.6 | 0 | 0 | 0 | 108.6 | ||||
| 2322 | K | 30.2 | Very low | 28.8 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 81% | 0.809 | 68% | 0.684 | S | S | * | * | trans | 79.1 | 131 | 172.4 | -53 | 165 | -174.8 | 174 | 0 | 114.8 | ||||
| 2323 | S | 25.1 | Very low | 28.8 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | cis | 85.6 | 93.1 | 24.2 | 86.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2324 | H | 30.6 | Very low | 29 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 79% | 0.787 | 68% | 0.679 | S | S | * | * | trans | -151.2 | 137.1 | 151.1 | -92.5 | 17.1 | 0 | 0 | 0 | 106.1 | ||||
| 2325 | N | 27.5 | Very low | 28.9 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | cis | 71.5 | 143.3 | 49.1 | -75.2 | -9.9 | 0 | 0 | 0 | 115.1 | ||||
| 2326 | H | 31.7 | Very low | 28.7 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | trans | 71.7 | 115.2 | -176.7 | -49.8 | -76.2 | 0 | 0 | 0 | 114.3 | ||||
| 2327 | A | 28.3 | Very low | 28.5 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 67% | 0.669 | S | S | * | * | cis | 86.6 | 142.6 | 25.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2328 | V | 27.4 | Very low | 28.5 | Very low | 123 Ų | 123 | 128 Ų | 128 | 75% | 0.745 | 67% | 0.667 | S | S | * | * | trans | 60.8 | 90.6 | 159 | -178 | 0 | 0 | 0 | 0 | 118 | ||||
| 2329 | Q | 29.7 | Very low | 28.6 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | 177.1 | 133.7 | 125.8 | -93.2 | 156.8 | 73.4 | 0 | 0 | 109 | |||||
| 2330 | N | 27.4 | Very low | 28.6 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 48% | 0.481 | 69% | 0.693 | S | S | . | * | 61.6 | 83.6 | 63.6 | -72.2 | -10.7 | 0 | 0 | 0 | 114.3 | I2099 | I2099-N2330 HydrophobicContact CD1-CB 4.45Å; I2099-N2330 WeakPolarHBondContact CD1-OD1 3.34Å | |||
| 2331 | K | 29.5 | Very low | 28.6 | Very low | 154 Ų | 154 | 132 Ų | 132 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | trans | 175.9 | 98 | 134.6 | -94.9 | 151.2 | -171.3 | 174.3 | 0 | 109.7 | ||||
| 2332 | T | 27.7 | Very low | 28.6 | Very low | 91 Ų | 91 | 130 Ų | 130 | 56% | 0.558 | 69% | 0.692 | S | S | * | * | 80.5 | 119.9 | 94 | 54.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 2333 | N | 27.2 | Very low | 28.5 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 58% | 0.583 | 70% | 0.698 | S | S | * | * | 54.4 | 128.7 | 77.7 | -74.5 | -37 | 0 | 0 | 0 | 112 | |||||
| 2334 | P | 32.3 | Very low | 28.7 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 71% | 0.705 | S | S | * | * | -96.6 | 146.2 | 54 | 32.6 | -36.1 | 0 | 0 | 0 | 113.9 | |||||
| 2335 | S | 26 | Very low | 28.6 | Very low | 66 Ų | 66 | 128 Ų | 128 | 46% | 0.462 | 71% | 0.705 | S | S | . | * | cis | 63.4 | 90 | 19.1 | 96.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2336 | K | 28 | Very low | 28.5 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 79% | 0.787 | 71% | 0.709 | S | S | * | * | -177.5 | 123.2 | 110.1 | -90.6 | 151.3 | -173.7 | -179.2 | 0 | 107.9 | |||||
| 2337 | K | 27.2 | Very low | 28.2 | Very low | 184 Ų | 184 | 124.3 Ų | 124.3 | 80% | 0.8 | 70% | 0.703 | S | S | * | * | 79.1 | 154.9 | 60 | -81 | -161.4 | 173.9 | -163 | 0 | 112 | |||||
| 2338 | N | 30.4 | Very low | 28.2 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 68% | 0.684 | 71% | 0.706 | S | S | * | * | trans | 88.3 | 131.4 | 169.1 | -52.6 | -7.3 | 0 | 0 | 0 | 113.5 | ||||
| 2339 | N | 30.4 | Very low | 28.2 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 69% | 0.69 | 70% | 0.702 | S | S | * | * | cis | -163.4 | 175.4 | -10.8 | -106.2 | -14.4 | 0 | 0 | 0 | 108.2 | ||||
| 2340 | S | 27.9 | Very low | 28.2 | Very low | 94 Ų | 94 | 122.8 Ų | 122.8 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | trans | 53.8 | 140.2 | 140.3 | 58 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2341 | Q | 29.7 | Very low | 28.4 | Very low | 175 Ų | 175 | 120.5 Ų | 120.5 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | cis | -168.9 | 164.9 | -0.5 | -121.3 | 163.9 | -60.5 | 0 | 0 | 111 | ||||
| 2342 | S | 27.5 | Very low | 28.4 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 55% | 0.545 | 66% | 0.659 | S | S | . | * | trans | 43.7 | 122.9 | 145.4 | 64.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 2343 | E | 26.4 | Very low | 28.5 | Very low | 198 Ų | 198 | 114.8 Ų | 114.8 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | 65.9 | 132.9 | 124.3 | -63.2 | 153.1 | -148.4 | 0 | 0 | 120.8 | |||||
| 2344 | G | 31.1 | Very low | 28.6 | Very low | 78 Ų | 78 | 112.6 Ų | 112.6 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | trans | 159.6 | 78.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 2345 | T | 27.2 | Very low | 28.4 | Very low | 130 Ų | 130 | 110.1 Ų | 110.1 | 80% | 0.798 | 62% | 0.62 | S | S | * | * | trans | -41.2 | 143.9 | 172.8 | 46.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2346 | V | 25.8 | Very low | 28.5 | Very low | 137 Ų | 137 | 110.6 Ų | 110.6 | 83% | 0.83 | 62% | 0.624 | S | S | * | * | trans | 68.6 | 131.7 | 142.4 | 170.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2347 | S | 26.2 | Very low | 28.5 | Very low | 93 Ų | 93 | 105.8 Ų | 105.8 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | cis | -168.5 | 176.7 | -7.1 | 53 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2348 | I | 28.4 | Very low | 28.4 | Very low | 151 Ų | 151 | 101.7 Ų | 101.7 | 77% | 0.774 | 61% | 0.607 | S | S | * | * | trans | 99.7 | 110 | 160.9 | -63.3 | 170.6 | 0 | 0 | 0 | 118.9 | ||||
| 2349 | V | 27 | Very low | 28.3 | Very low | 111 Ų | 111 | 108.6 Ų | 108.6 | 67% | 0.673 | 63% | 0.632 | S | S | * | * | trans | 67.3 | 114.8 | 145.5 | 172.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 2350 | E | 29.9 | Very low | 28.2 | Very low | 78 Ų | 78 | 107.6 Ų | 107.6 | 36% | 0.364 | 63% | 0.629 | S | S | . | * | trans | 57 | 136.6 | 142.1 | -57.5 | 177.2 | -174.1 | 0 | 0 | 124.9 | K2053 S2054 | K2053-E2350 HydrophobicContact CB-CB 4.25Å; K2053-E2350 WeakPolarHBondContact CB-OE2 3.41Å; K2053-E2350 HydrophobicContact CD-CB 3.86Å; K2053-E2350 PolarHBondContact NZ-O 2.91Å; S2054-E2350 WeakPolarHBondContact OG-CG 3.5Å | ||
| 2351 | S | 31.6 | Very low | 28.2 | Very low | 42 Ų | 42 | 108.3 Ų | 108.3 | 29% | 0.294 | 63% | 0.628 | S | S | . | * | cis | -172 | 159.2 | -3.1 | -95.7 | 0 | 0 | 0 | 0 | 113.8 | S2054 R2055 | S2054-S2351 PolarHBondContact OG-OG 3.38Å; R2055-S2351 VanDerWaalsContact CD-OG 3.27Å; R2055-S2351 WeakPolarHBondContact CD-OG 3.43Å; R2055-S2351 VanDerWaalsContact CG-OG 3.23Å; R2055-S2351 WeakPolarHBondContact CG-OG 3.22Å; R2055-S2351 PolarHBondContact N-OG 3.4Å; R2055-S2351 PolarHBondContact NE-OG 3.44Å | ||
| 2352 | S | 29.6 | Very low | 28.1 | Very low | 47 Ų | 47 | 104.6 Ų | 104.6 | 33% | 0.329 | 62% | 0.617 | S | S | . | * | trans | -91 | -177.4 | -164.6 | 65.1 | 0 | 0 | 0 | 0 | 116.4 | R2055 H2056 | R2055-S2352 VanDerWaalsContact CG-OG 3.23Å; R2055-S2352 WeakPolarHBondContact CG-OG 3.24Å; H2056-S2352 WeakPolarHBondContact CA-O 3.31Å; H2056-S2352 PolarHBondContact CD2-OG 3.48Å; H2056-S2352 PolarHBondContact CE1-OG 3.49Å; H2056-S2352 PolarHBondContact N-O 2.77Å; H2056-S2352 PolarHBondContact N-OG 2.94Å; H2056-S2352 PolarHBondContact NE2-OG 3.46Å | ||
| 2353 | D | 29.5 | Very low | 28.2 | Very low | 77 Ų | 77 | 106.2 Ų | 106.2 | 41% | 0.412 | 62% | 0.621 | S | S | . | * | cis | -158.5 | -133.9 | 5.1 | -165.1 | 49.9 | 0 | 0 | 0 | 113 | H2056 S2057 R2058 | H2056-D2353 WeakPolarHBondContact ND1-CB 3.31Å; H2056-D2353 IonicContact ND1-OD2 2.83Å; S2057-D2353 WeakPolarHBondContact CB-O 3.38Å; R2058-D2353 WeakPolarHBondContact CA-O 3.41Å; R2058-D2353 WeakPolarHBondContact CB-O 3.29Å; R2058-D2353 WeakPolarHBondContact CG-O 3.47Å; R2058-D2353 PolarHBondContact N-O 2.96Å | ||
| 2354 | N | 29.6 | Very low | 28.3 | Very low | 64 Ų | 64 | 100.4 Ų | 100.4 | 34% | 0.342 | 60% | 0.602 | S | S | . | * | trans | -91.8 | 146.7 | -178.4 | -60.9 | -90.6 | 0 | 0 | 0 | 117.5 | S2057 R2058 | S2057-N2354 VanDerWaalsContact CB-N 3.25Å; S2057-N2354 WeakPolarHBondContact CB-O 3.45Å; S2057-N2354 PolarHBondContact OG-O 3.35Å; R2058-N2354 PolarHBondContact NH1-OD1 3.3Å; R2058-N2354 PolarHBondContact NH2-OD1 2.74Å | ||
| 2355 | D | 27.7 | Very low | 28.1 | Very low | 72 Ų | 72 | 101.9 Ų | 101.9 | 39% | 0.385 | 59% | 0.589 | S | S | . | * | cis | -162.2 | 116.8 | 16.7 | -75.5 | -40.9 | 0 | 0 | 0 | 118.2 | R2058 K2116 | R2058-D2355 IonicContact CZ-OD1 2.76Å; R2058-D2355 IonicContact NH1-OD1 3.95Å; R2058-D2355 PolarHBondContact NH1-OD1 3.47Å; K2116-D2355 IonicContact NZ-OD2 2.7Å; K2116-D2355 PolarHBondContact NZ-OD2 3.32Å | ||
| 2356 | S | 27.4 | Very low | 28.2 | Very low | 76 Ų | 76 | 99.9 Ų | 99.9 | 53% | 0.531 | 57% | 0.574 | S | S | . | * | trans | 38.2 | 160 | 136.6 | 67.1 | 0 | 0 | 0 | 0 | 129.1 | ||||
| 2357 | A | 28.1 | Very low | 28.4 | Very low | 80 Ų | 80 | 97.1 Ų | 97.1 | 66% | 0.661 | 55% | 0.554 | S | S | * | * | trans | 81.6 | 115.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2358 | V | 25.8 | Very low | 28.5 | Very low | 97 Ų | 97 | 97.4 Ų | 97.4 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | 82.3 | 84.3 | 70.2 | 178.1 | 0 | 0 | 0 | 0 | 115.4 | S2061 | S2061-V2358 WeakPolarHBondContact O-CG2 3.44Š| |||
| 2359 | F | 28 | Very low | 28.6 | Very low | 274 Ų | 274 | 92.5 Ų | 92.5 | 100% | 1.202 | 53% | 0.526 | S | S | * | . | -160.7 | 0 | 128.3 | -131.3 | -74 | 0 | 0 | 0 | 110.3 |
Retrieved 2,359 of 2,359 residues in 1810.3 ms
(Link to these results)