| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.3 | Low | 60.7 | Low | 169 Ų | 169 | 96.4 Ų | 96.4 | 83% | 0.833 | 52% | 0.516 | S | S | * | . | 0 | -44.3 | 0 | -74.5 | -177.4 | -173.4 | 0 | 0 | 113.8 | T3 N4 L5 L54 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.09Å; M1-N4 PolarHBondContact O-N 2.99Å; M1-L5 PolarHBondContact O-N 3.21Å; M1-L54 HydrophobicContact CE-CD1 4.48Å; M1-L54 HydrophobicContact CE-CD2 3.64Å; M1-L54 HydrophobicContact SD-CD1 4.19Å; M1-L54 HydrophobicContact SD-CD2 3.95Å | |||
| 2 | I | 54.1 | Low | 60.9 | Low | 126 Ų | 126 | 92 Ų | 92 | 65% | 0.646 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.1 | -37.7 | -177.2 | -63.8 | 164.3 | 0 | 0 | 0 | 113.3 | N4 L5 K6 | I2-N4 PolarHBondContact O-N 2.83Å; I2-L5 PolarHBondContact O-N 2.68Å; I2-K6 PolarHBondContact O-N 3.33Å |
| 3 | T | 61.6 | Low | 60.9 | Low | 108 Ų | 108 | 94.2 Ų | 94.2 | 66% | 0.663 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | -178.3 | -18.7 | 0 | 0 | 0 | 0 | 112.8 | M1 K6 L7 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.09Å; T3-K6 PolarHBondContact O-N 3.41Å; T3-L7 PolarHBondContact O-N 3.09Å |
| 4 | N | 55.1 | Low | 60.8 | Low | 95 Ų | 95 | 102.1 Ų | 102.1 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.2 | -37 | 178.6 | -75.8 | -38.3 | 0 | 0 | 0 | 112 | M1 I2 L7 L8 | M1-N4 PolarHBondContact O-N 2.99Å; I2-N4 PolarHBondContact O-N 2.83Å; N4-L7 PolarHBondContact O-N 2.99Å; N4-L8 PolarHBondContact O-N 2.73Å |
| 5 | L | 61.8 | Low | 60.6 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 177.3 | -173.1 | 61.9 | 0 | 0 | 0 | 111.9 | M1 I2 L7 L8 N9 | M1-L5 PolarHBondContact O-N 3.21Å; I2-L5 PolarHBondContact O-N 2.68Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L8 PolarHBondContact O-N 2.92Å; L5-N9 WeakPolarHBondContact O-CB 3.45Å; L5-N9 VanDerWaalsContact O-CG 3.3Å; L5-N9 PolarHBondContact O-N 3.01Å; L5-N9 PolarHBondContact O-ND2 2.91Å |
| 6 | K | 69 | Low | 60.2 | Low | 150 Ų | 150 | 102.7 Ų | 102.7 | 65% | 0.652 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 173.6 | -71.8 | -178.5 | 179.3 | -179 | 0 | 111.4 | I2 T3 N9 A10 | I2-K6 PolarHBondContact O-N 3.33Å; T3-K6 PolarHBondContact O-N 3.41Å; K6-N9 PolarHBondContact O-N 3.12Å; K6-A10 WeakPolarHBondContact O-CB 3.36Å; K6-A10 PolarHBondContact O-N 2.82Å |
| 7 | L | 62.6 | Low | 59.9 | Low | 116 Ų | 116 | 107.3 Ų | 107.3 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 178.4 | -133.1 | 83.7 | 0 | 0 | 0 | 112.2 | T3 N4 L5 A10 C11 | T3-L7 PolarHBondContact O-N 3.09Å; N4-L7 PolarHBondContact O-N 2.99Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L7-A10 PolarHBondContact O-N 2.89Å; L7-C11 PolarHBondContact O-N 3.45Å |
| 8 | L | 62.4 | Low | 59.5 | Low | 26 Ų | 26 | 104.6 Ų | 104.6 | 14% | 0.136 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 175.9 | 178.1 | 61.4 | 0 | 0 | 0 | 112 | N4 L5 A10 C11 T12 L44 H47 | N4-L8 PolarHBondContact O-N 2.73Å; L5-L8 PolarHBondContact O-N 2.92Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.41Å; L8-C11 WeakPolarHBondContact O-CB 3.06Å; L8-C11 PolarHBondContact O-N 2.9Å; L8-T12 WeakPolarHBondContact O-CB 3.47Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.93Å; L8-L44 HydrophobicContact CD1-CD1 4.19Å; L8-H47 VanDerWaalsContact CB-CD2 3.49Å; L8-H47 WeakPolarHBondContact CB-CD2 3.31Å; L8-H47 HydrophobicContact CD1-CB 4.08Å; L8-H47 VanDerWaalsContact CD1-CD2 3.5Å; L8-H47 WeakPolarHBondContact CD1-CD2 3.36Å; L8-H47 HydrophobicContact CD2-CB 3.81Å; L8-H47 HydrophobicContact CG-CB 4.47Å |
| 9 | N | 64.9 | Low | 59.4 | Low | 85 Ų | 85 | 108.9 Ų | 108.9 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 176.1 | -76.9 | -17.2 | 0 | 0 | 0 | 110.2 | L5 K6 C11 T12 Q13 | L5-N9 WeakPolarHBondContact O-CB 3.45Å; L5-N9 VanDerWaalsContact O-CG 3.3Å; L5-N9 PolarHBondContact O-N 3.01Å; L5-N9 PolarHBondContact O-ND2 2.91Å; K6-N9 PolarHBondContact O-N 3.12Å; N9-C11 VanDerWaalsContact C-N 3.34Å; N9-C11 PolarHBondContact O-N 3.45Å; N9-T12 PolarHBondContact O-N 3.37Å; N9-Q13 WeakPolarHBondContact O-CB 3.31Å; N9-Q13 VanDerWaalsContact O-CG 3.23Å; N9-Q13 WeakPolarHBondContact O-CG 3.27Å; N9-Q13 PolarHBondContact O-N 3.35Å |
| 10 | A | 62.8 | Low | 59.1 | Low | 52 Ų | 52 | 112.7 Ų | 112.7 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K6 L7 L8 R14 | K6-A10 WeakPolarHBondContact O-CB 3.36Å; K6-A10 PolarHBondContact O-N 2.82Å; L7-A10 PolarHBondContact O-N 2.89Å; L8-A10 VanDerWaalsContact C-N 3.32Å; L8-A10 PolarHBondContact O-N 3.41Å; A10-R14 PolarHBondContact O-N 3.26Å |
| 11 | C | 61.6 | Low | 58.6 | Low | 31 Ų | 31 | 110.3 Ų | 110.3 | 21% | 0.209 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -63.4 | -43.5 | 174.9 | -173.5 | 0 | 0 | 0 | 0 | 112 | L7 L8 N9 R14 T15 | L7-C11 PolarHBondContact O-N 3.45Å; L8-C11 WeakPolarHBondContact O-CB 3.06Å; L8-C11 PolarHBondContact O-N 2.9Å; N9-C11 VanDerWaalsContact C-N 3.34Å; N9-C11 PolarHBondContact O-N 3.45Å; C11-R14 WeakPolarHBondContact O-CB 3.38Å; C11-R14 PolarHBondContact O-N 2.92Å; C11-T15 PolarHBondContact O-N 2.82Å |
| 12 | T | 63.4 | Low | 58.6 | Low | 44 Ų | 44 | 106 Ų | 106 | 27% | 0.27 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.1 | -36.1 | 179.2 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | L8 N9 R14 T15 K16 | L8-T12 WeakPolarHBondContact O-CB 3.47Å; L8-T12 PolarHBondContact O-N 2.89Å; L8-T12 PolarHBondContact O-OG1 2.93Å; N9-T12 PolarHBondContact O-N 3.37Å; T12-R14 VanDerWaalsContact C-N 3.28Å; T12-R14 PolarHBondContact O-N 3.42Å; T12-T15 PolarHBondContact O-N 2.84Å; T12-T15 PolarHBondContact O-OG1 2.76Å; T12-K16 PolarHBondContact O-N 2.64Å |
| 13 | Q | 61.4 | Low | 58.4 | Low | 121 Ų | 121 | 105.7 Ų | 105.7 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.1 | -35.3 | 174.5 | -69.1 | -61.5 | -24.9 | 0 | 0 | 111.4 | N9 T15 K16 K17 | N9-Q13 WeakPolarHBondContact O-CB 3.31Å; N9-Q13 VanDerWaalsContact O-CG 3.23Å; N9-Q13 WeakPolarHBondContact O-CG 3.27Å; N9-Q13 PolarHBondContact O-N 3.35Å; Q13-T15 VanDerWaalsContact C-N 3.3Å; Q13-T15 PolarHBondContact O-N 2.84Å; Q13-K16 PolarHBondContact O-N 2.79Å; Q13-K17 PolarHBondContact O-N 2.83Å |
| 14 | R | 59.2 | Low | 57.7 | Low | 204 Ų | 204 | 108.4 Ų | 108.4 | 77% | 0.77 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.5 | -35.3 | 173.3 | -71.7 | -178.1 | -169.3 | -174.8 | 3 | 112.5 | A10 C11 T12 | A10-R14 PolarHBondContact O-N 3.26Å; C11-R14 WeakPolarHBondContact O-CB 3.38Å; C11-R14 PolarHBondContact O-N 2.92Å; T12-R14 VanDerWaalsContact C-N 3.28Å; T12-R14 PolarHBondContact O-N 3.42Å |
| 15 | T | 57.4 | Low | 57.6 | Low | 77 Ų | 77 | 110.5 Ų | 110.5 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -80.2 | -34.4 | 179.8 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | C11 T12 Q13 K17 A18 | C11-T15 PolarHBondContact O-N 2.82Å; T12-T15 PolarHBondContact O-N 2.84Å; T12-T15 PolarHBondContact O-OG1 2.76Å; Q13-T15 VanDerWaalsContact C-N 3.3Å; Q13-T15 PolarHBondContact O-N 2.84Å; T15-K17 PolarHBondContact O-N 3.45Å; T15-A18 WeakPolarHBondContact O-CB 3.29Å; T15-A18 PolarHBondContact O-N 3.5Å |
| 16 | K | 54.9 | Low | 57.1 | Low | 137 Ų | 137 | 110 Ų | 110 | 60% | 0.596 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.5 | -38.2 | 175.1 | -72.4 | -172.9 | 179.1 | -175.4 | 0 | 112.5 | T12 Q13 A18 K19 | T12-K16 PolarHBondContact O-N 2.64Å; Q13-K16 PolarHBondContact O-N 2.79Å; K16-A18 PolarHBondContact O-N 3.48Å; K16-K19 PolarHBondContact O-N 3.5Å |
| 17 | K | 55.4 | Low | 56.5 | Low | 181 Ų | 181 | 109.9 Ų | 109.9 | 79% | 0.787 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.7 | -23.5 | 176.3 | -162.1 | 179 | -178.4 | -168.6 | 0 | 112.8 | Q13 T15 | Q13-K17 PolarHBondContact O-N 2.83Å; T15-K17 PolarHBondContact O-N 3.45Å |
| 18 | A | 52.3 | Low | 56.2 | Low | 58 Ų | 58 | 106.6 Ų | 106.6 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -80.2 | -17.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | T15 K16 H20 A21 | T15-A18 WeakPolarHBondContact O-CB 3.29Å; T15-A18 PolarHBondContact O-N 3.5Å; K16-A18 PolarHBondContact O-N 3.48Å; A18-H20 VanDerWaalsContact C-N 3.25Å; A18-H20 PolarHBondContact O-N 2.83Å; A18-A21 PolarHBondContact O-N 2.96Å |
| 19 | K | 58.1 | Low | 55.9 | Low | 188 Ų | 188 | 109.6 Ų | 109.6 | 82% | 0.817 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -17.4 | -174.8 | -139.7 | -172.7 | -175 | -155.3 | 0 | 114.1 | K16 | K16-K19 PolarHBondContact O-N 3.5Š|
| 20 | H | 53.1 | Low | 55.7 | Low | 183 Ų | 183 | 113.4 Ų | 113.4 | 85% | 0.847 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 1.7 | 172.8 | -66 | -73.8 | 0 | 0 | 0 | 113.1 | A18 | A18-H20 VanDerWaalsContact C-N 3.25Å; A18-H20 PolarHBondContact O-N 2.83Å |
| 21 | A | 48.8 | Very low | 55.9 | Low | 63 Ų | 63 | 117.2 Ų | 117.2 | 52% | 0.521 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -88.1 | 119 | 170.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | A18 | A18-A21 PolarHBondContact O-N 2.96Š|
| 22 | A | 50.6 | Low | 56.2 | Low | 79 Ų | 79 | 119.9 Ų | 119.9 | 65% | 0.653 | 65% | 0.654 | S | S | * | * | trans | -47.5 | 140.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L24 | A22-L24 PolarHBondContact O-N 3.39Š| ||
| 23 | P | 50.6 | Low | 56.1 | Low | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | trans | -56.3 | 111.5 | 178.2 | 21.6 | -30.4 | 0 | 0 | 0 | 108.3 | T25 | P23-T25 PolarHBondContact O-N 3.33Š| ||
| 24 | L | 46.9 | Very low | 56.5 | Low | 166 Ų | 166 | 122.5 Ų | 122.5 | 87% | 0.869 | 67% | 0.673 | S | S | * | * | trans | -63 | 104.4 | 174.5 | -76.8 | 165.8 | 0 | 0 | 0 | 107.1 | A22 S26 | A22-L24 PolarHBondContact O-N 3.39Å; L24-S26 PolarHBondContact O-N 2.81Å | ||
| 25 | T | 52.4 | Low | 57.1 | Low | 138 Ų | 138 | 116 Ų | 116 | 85% | 0.847 | 66% | 0.663 | S | S | * | * | trans | -67.7 | 69.1 | 166.9 | 53.9 | 0 | 0 | 0 | 0 | 108.2 | P23 | P23-T25 PolarHBondContact O-N 3.33Š| ||
| 26 | S | 50.2 | Low | 57.7 | Low | 92 Ų | 92 | 115.7 Ų | 115.7 | 64% | 0.643 | 66% | 0.664 | S | S | * | * | trans | -107.7 | 108 | 173.6 | -170 | 0 | 0 | 0 | 0 | 109 | L24 G28 | L24-S26 PolarHBondContact O-N 2.81Å; S26-G28 PolarHBondContact O-N 3.47Å | ||
| 27 | T | 57.5 | Low | 58.4 | Low | 147 Ų | 147 | 113.5 Ų | 113.5 | 90% | 0.902 | 66% | 0.658 | S | S | * | * | trans | -63.4 | 2.8 | 178.5 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 28 | G | 55.9 | Low | 59.4 | Low | 48 Ų | 48 | 106.7 Ų | 106.7 | 50% | 0.495 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -103.8 | 115.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S26 | S26-G28 PolarHBondContact O-N 3.47Š|
| 29 | N | 55.6 | Low | 60.3 | Low | 88 Ų | 88 | 112.1 Ų | 112.1 | 47% | 0.471 | 65% | 0.649 | S | S | . | * | trans | 80.4 | 62.7 | 160.7 | -151.3 | -13.4 | 0 | 0 | 0 | 117.9 | N31 V32 | N29-N31 PolarHBondContact O-N 3.3Å; N29-N31 PolarHBondContact OD1-N 2.83Å; N29-V32 VanDerWaalsContact CG-CG2 3.5Å; N29-V32 WeakPolarHBondContact ND2-CG2 3.27Å; N29-V32 WeakPolarHBondContact OD1-CB 3.33Å; N29-V32 WeakPolarHBondContact OD1-CG2 3.25Å; N29-V32 PolarHBondContact OD1-N 3.32Å | ||
| 30 | K | 61.7 | Low | 60.9 | Low | 166 Ų | 166 | 104.9 Ų | 104.9 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -54.7 | -28.8 | 165 | -56 | 177 | -174.8 | 175.9 | 0 | 112.4 | T34 | K30-T34 WeakPolarHBondContact O-CB 3.49Å; K30-T34 PolarHBondContact O-N 3.29Å; K30-T34 VanDerWaalsContact O-N 3.09Å; K30-T34 PolarHBondContact O-OG1 3.49Å |
| 31 | N | 66.2 | Low | 61.9 | Low | 132 Ų | 132 | 104.4 Ų | 104.4 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.8 | -45.1 | -172.7 | -60.1 | 5.6 | 0 | 0 | 0 | 112 | N29 T34 A35 | N29-N31 PolarHBondContact O-N 3.3Å; N29-N31 PolarHBondContact OD1-N 2.83Å; N31-T34 PolarHBondContact O-N 3.04Å; N31-A35 WeakPolarHBondContact O-CB 3.38Å; N31-A35 PolarHBondContact O-N 3.37Å |
| 32 | V | 68 | Low | 63 | Low | 87 Ų | 87 | 104.2 Ų | 104.2 | 53% | 0.527 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -39.7 | 179.3 | 167.8 | 0 | 0 | 0 | 0 | 111.9 | N29 T34 A35 S36 | N29-V32 VanDerWaalsContact CG-CG2 3.5Å; N29-V32 WeakPolarHBondContact ND2-CG2 3.27Å; N29-V32 WeakPolarHBondContact OD1-CB 3.33Å; N29-V32 WeakPolarHBondContact OD1-CG2 3.25Å; N29-V32 PolarHBondContact OD1-N 3.32Å; V32-T34 VanDerWaalsContact C-N 3.34Å; V32-A35 PolarHBondContact O-N 3.09Å; V32-S36 WeakPolarHBondContact O-CB 3.29Å; V32-S36 PolarHBondContact O-N 3.28Å |
| 33 | L | 62.4 | Low | 63.9 | Low | 124 Ų | 124 | 101.9 Ų | 101.9 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.6 | -42 | 174 | -88.8 | 148.2 | 0 | 0 | 0 | 111.5 | S36 L37 | L33-S36 PolarHBondContact O-N 3.18Å; L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 3.5Å |
| 34 | T | 69.9 | Low | 64.8 | Low | 95 Ų | 95 | 100.6 Ų | 100.6 | 58% | 0.583 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.1 | -40.9 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | K30 N31 V32 L37 G38 | K30-T34 WeakPolarHBondContact O-CB 3.49Å; K30-T34 PolarHBondContact O-N 3.29Å; K30-T34 VanDerWaalsContact O-N 3.09Å; K30-T34 PolarHBondContact O-OG1 3.49Å; N31-T34 PolarHBondContact O-N 3.04Å; V32-T34 VanDerWaalsContact C-N 3.34Å; T34-L37 PolarHBondContact O-N 3.21Å; T34-G38 PolarHBondContact O-N 2.91Å |
| 35 | A | 70.4 | Confident | 65.8 | Low | 68 Ų | 68 | 101.3 Ų | 101.3 | 56% | 0.562 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.8 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N31 V32 G38 Y39 | N31-A35 WeakPolarHBondContact O-CB 3.38Å; N31-A35 PolarHBondContact O-N 3.37Å; V32-A35 PolarHBondContact O-N 3.09Å; A35-G38 PolarHBondContact O-N 3.37Å; A35-Y39 PolarHBondContact O-N 3.37Å |
| 36 | S | 70.3 | Confident | 66.5 | Low | 71 Ų | 71 | 97.5 Ų | 97.5 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.6 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | V32 L33 G38 Y39 C40 | V32-S36 WeakPolarHBondContact O-CB 3.29Å; V32-S36 PolarHBondContact O-N 3.28Å; L33-S36 PolarHBondContact O-N 3.18Å; S36-G38 VanDerWaalsContact C-N 3.34Å; S36-Y39 PolarHBondContact O-N 2.85Å; S36-C40 WeakPolarHBondContact O-CB 3.25Å; S36-C40 PolarHBondContact O-N 2.71Å; S36-C40 PolarHBondContact O-SG 2.71Å; S36-C40 VanDerWaalsContact O-SG 3.33Å |
| 37 | L | 70.1 | Confident | 67.1 | Low | 90 Ų | 90 | 94.4 Ų | 94.4 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 173.8 | -171.4 | 74.3 | 0 | 0 | 0 | 111.5 | L33 T34 C40 R41 | L33-L37 VanDerWaalsContact O-CB 3.27Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 PolarHBondContact O-N 3.5Å; T34-L37 PolarHBondContact O-N 3.21Å; L37-C40 PolarHBondContact O-N 3.23Å; L37-R41 WeakPolarHBondContact O-CB 3.25Å; L37-R41 WeakPolarHBondContact O-CG 3.48Å; L37-R41 PolarHBondContact O-N 2.7Å |
| 38 | G | 75.8 | Confident | 67.4 | Low | 38 Ų | 38 | 90.2 Ų | 90.2 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -49 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | T34 A35 S36 R41 A42 | T34-G38 PolarHBondContact O-N 2.91Å; A35-G38 PolarHBondContact O-N 3.37Å; S36-G38 VanDerWaalsContact C-N 3.34Å; G38-R41 PolarHBondContact O-N 3.18Å; G38-A42 VanDerWaalsContact O-CB 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.28Å; G38-A42 PolarHBondContact O-N 3.27Å |
| 39 | Y | 72.7 | Confident | 67.5 | Low | 173 Ų | 173 | 92.9 Ų | 92.9 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -44.9 | 175.7 | -174.7 | -93.9 | 0 | 0 | 0 | 112 | A35 S36 R41 A42 S43 | A35-Y39 PolarHBondContact O-N 3.37Å; S36-Y39 PolarHBondContact O-N 2.85Å; Y39-R41 PolarHBondContact O-N 3.28Å; Y39-A42 PolarHBondContact O-N 3.36Å; Y39-S43 VanDerWaalsContact O-CB 3.25Å; Y39-S43 WeakPolarHBondContact O-CB 3.44Å; Y39-S43 PolarHBondContact O-N 3.34Å |
| 40 | C | 69.4 | Low | 67.9 | Low | 36 Ų | 36 | 91 Ų | 91 | 24% | 0.243 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177 | -71.3 | 0 | 0 | 0 | 0 | 112.1 | S36 L37 L44 | S36-C40 WeakPolarHBondContact O-CB 3.25Å; S36-C40 PolarHBondContact O-N 2.71Å; S36-C40 PolarHBondContact O-SG 2.71Å; S36-C40 VanDerWaalsContact O-SG 3.33Å; L37-C40 PolarHBondContact O-N 3.23Å; C40-L44 VanDerWaalsContact O-CB 3.25Å; C40-L44 WeakPolarHBondContact O-CB 3.49Å; C40-L44 PolarHBondContact O-N 3.18Å |
| 41 | R | 75.4 | Confident | 67.9 | Low | 172 Ų | 172 | 84.9 Ų | 84.9 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.1 | -42.1 | 176.1 | -80.5 | -177.8 | 175.5 | 175.8 | -0 | 111.8 | L37 G38 Y39 L44 R45 | L37-R41 WeakPolarHBondContact O-CB 3.25Å; L37-R41 WeakPolarHBondContact O-CG 3.48Å; L37-R41 PolarHBondContact O-N 2.7Å; G38-R41 PolarHBondContact O-N 3.18Å; Y39-R41 PolarHBondContact O-N 3.28Å; R41-L44 PolarHBondContact O-N 3.15Å; R41-R45 VanDerWaalsContact O-CB 3.27Å; R41-R45 WeakPolarHBondContact O-CB 3.35Å; R41-R45 PolarHBondContact O-N 2.74Å |
| 42 | A | 71.4 | Confident | 67.8 | Low | 60 Ų | 60 | 83.3 Ų | 83.3 | 50% | 0.496 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G38 Y39 R45 A46 | G38-A42 VanDerWaalsContact O-CB 3.29Å; G38-A42 WeakPolarHBondContact O-CB 3.28Å; G38-A42 PolarHBondContact O-N 3.27Å; Y39-A42 PolarHBondContact O-N 3.36Å; A42-R45 PolarHBondContact O-N 2.85Å; A42-A46 WeakPolarHBondContact O-CB 3.09Å; A42-A46 PolarHBondContact O-N 3.37Å |
| 43 | S | 69.6 | Low | 67.5 | Low | 29 Ų | 29 | 84.9 Ų | 84.9 | 20% | 0.203 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | Y39 R45 A46 H47 | Y39-S43 VanDerWaalsContact O-CB 3.25Å; Y39-S43 WeakPolarHBondContact O-CB 3.44Å; Y39-S43 PolarHBondContact O-N 3.34Å; S43-R45 VanDerWaalsContact C-N 3.33Å; S43-R45 PolarHBondContact O-N 2.89Å; S43-A46 PolarHBondContact O-N 2.91Å; S43-H47 WeakPolarHBondContact O-CB 3.41Å; S43-H47 PolarHBondContact O-N 3.23Å |
| 44 | L | 68.5 | Low | 67.4 | Low | 92 Ų | 92 | 82.8 Ų | 82.8 | 48% | 0.482 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 173.6 | -175.3 | 63.3 | 0 | 0 | 0 | 110.5 | L8 C40 R41 H47 T48 | L8-L44 HydrophobicContact CD1-CD1 4.19Å; C40-L44 VanDerWaalsContact O-CB 3.25Å; C40-L44 WeakPolarHBondContact O-CB 3.49Å; C40-L44 PolarHBondContact O-N 3.18Å; R41-L44 PolarHBondContact O-N 3.15Å; L44-H47 CarbonylContact O-C 3.56Å; L44-H47 PolarHBondContact O-N 3.41Å; L44-T48 HydrophobicContact CD1-CG2 4.39Å; L44-T48 HydrophobicContact CG-CG2 4.38Å; L44-T48 WeakPolarHBondContact O-CB 3.49Å; L44-T48 VanDerWaalsContact O-CG2 3.25Å; L44-T48 WeakPolarHBondContact O-CG2 3.44Å; L44-T48 PolarHBondContact O-N 2.85Å; L44-T48 PolarHBondContact O-OG1 3.44Å |
| 45 | R | 69.3 | Low | 67 | Low | 182 Ų | 182 | 86 Ų | 86 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63 | -48.7 | 177 | -163.1 | 177.3 | -170.1 | 121.1 | -0.3 | 111 | R41 A42 S43 H47 T48 L49 | R41-R45 VanDerWaalsContact O-CB 3.27Å; R41-R45 WeakPolarHBondContact O-CB 3.35Å; R41-R45 PolarHBondContact O-N 2.74Å; A42-R45 PolarHBondContact O-N 2.85Å; S43-R45 VanDerWaalsContact C-N 3.33Å; S43-R45 PolarHBondContact O-N 2.89Å; R45-H47 VanDerWaalsContact C-N 3.3Å; R45-H47 PolarHBondContact O-N 2.72Å; R45-T48 VanDerWaalsContact CA-OG1 3.29Å; R45-T48 WeakPolarHBondContact CA-OG1 3.29Å; R45-T48 PolarHBondContact O-N 2.91Å; R45-T48 VanDerWaalsContact O-N 3.15Å; R45-T48 PolarHBondContact O-OG1 2.83Å; R45-L49 VanDerWaalsContact O-CG 3.31Å; R45-L49 WeakPolarHBondContact O-CG 3.47Å; R45-L49 PolarHBondContact O-N 3.23Å |
| 46 | A | 65.8 | Low | 66.4 | Low | 57 Ų | 57 | 85.2 Ų | 85.2 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A42 S43 L49 S50 | A42-A46 WeakPolarHBondContact O-CB 3.09Å; A42-A46 PolarHBondContact O-N 3.37Å; S43-A46 PolarHBondContact O-N 2.91Å; A46-L49 PolarHBondContact O-N 3.49Å; A46-S50 PolarHBondContact O-N 2.93Å |
| 47 | H | 63.6 | Low | 66 | Low | 28 Ų | 28 | 86.9 Ų | 86.9 | 13% | 0.13 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -71.3 | -33.8 | 175.7 | -83.4 | -31.8 | 0 | 0 | 0 | 114 | L8 S43 L44 R45 L49 S50 S51 | L8-H47 VanDerWaalsContact CB-CD2 3.49Å; L8-H47 WeakPolarHBondContact CB-CD2 3.31Å; L8-H47 HydrophobicContact CD1-CB 4.08Å; L8-H47 VanDerWaalsContact CD1-CD2 3.5Å; L8-H47 WeakPolarHBondContact CD1-CD2 3.36Å; L8-H47 HydrophobicContact CD2-CB 3.81Å; L8-H47 HydrophobicContact CG-CB 4.47Å; S43-H47 WeakPolarHBondContact O-CB 3.41Å; S43-H47 PolarHBondContact O-N 3.23Å; L44-H47 CarbonylContact O-C 3.56Å; L44-H47 PolarHBondContact O-N 3.41Å; R45-H47 VanDerWaalsContact C-N 3.3Å; R45-H47 PolarHBondContact O-N 2.72Å; H47-L49 VanDerWaalsContact C-N 3.34Å; H47-S50 WeakPolarHBondContact CA-OG 3.39Å; H47-S50 PolarHBondContact O-OG 3.43Å; H47-S51 WeakPolarHBondContact O-CA 3.13Å; H47-S51 WeakPolarHBondContact O-CB 3.1Å; H47-S51 PolarHBondContact O-N 3.23Å; H47-S51 PolarHBondContact O-OG 2.95Å |
| 48 | T | 62.4 | Low | 65.8 | Low | 59 Ų | 59 | 85.3 Ų | 85.3 | 36% | 0.362 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 172 | 55 | 0 | 0 | 0 | 0 | 110.4 | L44 R45 S51 I52 | L44-T48 HydrophobicContact CD1-CG2 4.39Å; L44-T48 HydrophobicContact CG-CG2 4.38Å; L44-T48 WeakPolarHBondContact O-CB 3.49Å; L44-T48 VanDerWaalsContact O-CG2 3.25Å; L44-T48 WeakPolarHBondContact O-CG2 3.44Å; L44-T48 PolarHBondContact O-N 2.85Å; L44-T48 PolarHBondContact O-OG1 3.44Å; R45-T48 VanDerWaalsContact CA-OG1 3.29Å; R45-T48 WeakPolarHBondContact CA-OG1 3.29Å; R45-T48 PolarHBondContact O-N 2.91Å; R45-T48 VanDerWaalsContact O-N 3.15Å; R45-T48 PolarHBondContact O-OG1 2.83Å; T48-S51 CarbonylContact O-C 3.56Å; T48-S51 PolarHBondContact O-N 2.88Å; T48-I52 VanDerWaalsContact O-CB 3.29Å; T48-I52 WeakPolarHBondContact O-CB 3.48Å; T48-I52 WeakPolarHBondContact O-CD1 3.36Å; T48-I52 WeakPolarHBondContact O-CG1 3.49Å; T48-I52 PolarHBondContact O-N 2.93Å |
| 49 | L | 58.6 | Low | 65.2 | Low | 103 Ų | 103 | 87.7 Ų | 87.7 | 54% | 0.539 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 175.6 | -65.9 | 178.3 | 0 | 0 | 0 | 110.9 | R45 A46 H47 S51 I52 E53 | R45-L49 VanDerWaalsContact O-CG 3.31Å; R45-L49 WeakPolarHBondContact O-CG 3.47Å; R45-L49 PolarHBondContact O-N 3.23Å; A46-L49 PolarHBondContact O-N 3.49Å; H47-L49 VanDerWaalsContact C-N 3.34Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 3.23Å; L49-I52 PolarHBondContact O-N 3.26Å; L49-E53 WeakPolarHBondContact O-CB 3.5Å; L49-E53 WeakPolarHBondContact O-CG 3.5Å; L49-E53 PolarHBondContact O-N 3.42Å |
| 50 | S | 65.1 | Low | 65 | Low | 49 Ų | 49 | 80.6 Ų | 80.6 | 34% | 0.343 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65 | -33.8 | 174.9 | 72.5 | 0 | 0 | 0 | 0 | 112.5 | A46 H47 L54 | A46-S50 PolarHBondContact O-N 2.93Å; H47-S50 WeakPolarHBondContact CA-OG 3.39Å; H47-S50 PolarHBondContact O-OG 3.43Å; S50-L54 VanDerWaalsContact O-CB 3.29Å; S50-L54 WeakPolarHBondContact O-CB 3.45Å; S50-L54 VanDerWaalsContact O-CG 3.25Å; S50-L54 WeakPolarHBondContact O-CG 3.08Å; S50-L54 PolarHBondContact O-N 3.3Å |
| 51 | S | 60.4 | Low | 65.2 | Low | 37 Ų | 37 | 83 Ų | 83 | 26% | 0.259 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.3 | -34.2 | 176.9 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | H47 T48 L49 R55 | H47-S51 WeakPolarHBondContact O-CA 3.13Å; H47-S51 WeakPolarHBondContact O-CB 3.1Å; H47-S51 PolarHBondContact O-N 3.23Å; H47-S51 PolarHBondContact O-OG 2.95Å; T48-S51 CarbonylContact O-C 3.56Å; T48-S51 PolarHBondContact O-N 2.88Å; L49-S51 VanDerWaalsContact C-N 3.28Å; L49-S51 PolarHBondContact O-N 3.23Å; S51-R55 WeakPolarHBondContact O-CB 3.47Å; S51-R55 WeakPolarHBondContact O-CG 3.26Å; S51-R55 PolarHBondContact O-N 3.32Å |
| 52 | I | 64.2 | Low | 65.1 | Low | 100 Ų | 100 | 79.1 Ų | 79.1 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.2 | -42 | 174.5 | -71.8 | 160.7 | 0 | 0 | 0 | 109 | T48 L49 R55 A56 | T48-I52 VanDerWaalsContact O-CB 3.29Å; T48-I52 WeakPolarHBondContact O-CB 3.48Å; T48-I52 WeakPolarHBondContact O-CD1 3.36Å; T48-I52 WeakPolarHBondContact O-CG1 3.49Å; T48-I52 PolarHBondContact O-N 2.93Å; L49-I52 PolarHBondContact O-N 3.26Å; I52-R55 CarbonylContact O-C 3.59Å; I52-R55 PolarHBondContact O-N 2.82Å; I52-A56 VanDerWaalsContact O-CB 3.26Å; I52-A56 WeakPolarHBondContact O-CB 3.36Å; I52-A56 PolarHBondContact O-N 2.64Å |
| 53 | E | 63.1 | Low | 65.3 | Low | 119 Ų | 119 | 83.4 Ų | 83.4 | 56% | 0.556 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.6 | -50 | 173.6 | -79.4 | -61.6 | 136.8 | 0 | 0 | 112.1 | L49 R55 A56 I57 | L49-E53 WeakPolarHBondContact O-CB 3.5Å; L49-E53 WeakPolarHBondContact O-CG 3.5Å; L49-E53 PolarHBondContact O-N 3.42Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 2.77Å; E53-A56 PolarHBondContact O-N 3.02Å; E53-I57 WeakPolarHBondContact O-CG1 3.29Å; E53-I57 PolarHBondContact O-N 2.93Å |
| 54 | L | 58.9 | Low | 65.7 | Low | 81 Ų | 81 | 88.2 Ų | 88.2 | 42% | 0.424 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 175.2 | -76.9 | 170.7 | 0 | 0 | 0 | 111.6 | M1 S50 S58 | M1-L54 HydrophobicContact CE-CD1 4.48Å; M1-L54 HydrophobicContact CE-CD2 3.64Å; M1-L54 HydrophobicContact SD-CD1 4.19Å; M1-L54 HydrophobicContact SD-CD2 3.95Å; S50-L54 VanDerWaalsContact O-CB 3.29Å; S50-L54 WeakPolarHBondContact O-CB 3.45Å; S50-L54 VanDerWaalsContact O-CG 3.25Å; S50-L54 WeakPolarHBondContact O-CG 3.08Å; S50-L54 PolarHBondContact O-N 3.3Å; L54-S58 WeakPolarHBondContact O-CA 3.25Å; L54-S58 WeakPolarHBondContact O-CB 3.23Å; L54-S58 PolarHBondContact O-N 3.19Å |
| 55 | R | 61.6 | Low | 66.2 | Low | 163 Ų | 163 | 89.6 Ų | 89.6 | 62% | 0.615 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.5 | -38.3 | 171.5 | -76.1 | 175.1 | -148.6 | -135 | 6.2 | 111.2 | S51 I52 E53 S58 N59 | S51-R55 WeakPolarHBondContact O-CB 3.47Å; S51-R55 WeakPolarHBondContact O-CG 3.26Å; S51-R55 PolarHBondContact O-N 3.32Å; I52-R55 CarbonylContact O-C 3.59Å; I52-R55 PolarHBondContact O-N 2.82Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 2.77Å; R55-S58 CarbonylContact O-C 3.48Å; R55-S58 PolarHBondContact O-N 3.47Å; R55-N59 VanDerWaalsContact O-CA 3.3Å; R55-N59 WeakPolarHBondContact O-CA 2.94Å; R55-N59 WeakPolarHBondContact O-CB 3.3Å; R55-N59 PolarHBondContact O-N 3.38Å; R55-N59 PolarHBondContact O-ND2 2.88Å; R55-N59 VanDerWaalsContact O-ND2 3.09Å; R55-N59 PolarHBondContact O-OD1 3.49Å |
| 56 | A | 59.2 | Low | 66.8 | Low | 51 Ų | 51 | 84.9 Ų | 84.9 | 42% | 0.421 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.2 | -46.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I52 E53 N59 G60 | I52-A56 VanDerWaalsContact O-CB 3.26Å; I52-A56 WeakPolarHBondContact O-CB 3.36Å; I52-A56 PolarHBondContact O-N 2.64Å; E53-A56 PolarHBondContact O-N 3.02Å; A56-N59 PolarHBondContact O-N 2.89Å; A56-G60 PolarHBondContact O-N 3.25Å |
| 57 | I | 61.9 | Low | 67.7 | Low | 106 Ų | 106 | 85.7 Ų | 85.7 | 54% | 0.544 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.4 | -49.7 | 174.3 | -61.5 | 166.8 | 0 | 0 | 0 | 109.8 | E53 N59 G60 E61 | E53-I57 WeakPolarHBondContact O-CG1 3.29Å; E53-I57 PolarHBondContact O-N 2.93Å; I57-N59 PolarHBondContact O-N 3.35Å; I57-G60 PolarHBondContact O-N 3.05Å; I57-E61 PolarHBondContact O-N 3.45Å; I57-E61 VanDerWaalsContact O-N 3.15Å |
| 58 | S | 64.6 | Low | 68.7 | Low | 56 Ų | 56 | 90 Ų | 90 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 179.3 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | L54 R55 G60 E61 I62 | L54-S58 WeakPolarHBondContact O-CA 3.25Å; L54-S58 WeakPolarHBondContact O-CB 3.23Å; L54-S58 PolarHBondContact O-N 3.19Å; R55-S58 CarbonylContact O-C 3.48Å; R55-S58 PolarHBondContact O-N 3.47Å; S58-G60 VanDerWaalsContact C-N 3.33Å; S58-E61 PolarHBondContact O-N 2.67Å; S58-I62 VanDerWaalsContact O-CB 3.29Å; S58-I62 WeakPolarHBondContact O-CB 3.48Å; S58-I62 VanDerWaalsContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CG1 3.19Å; S58-I62 PolarHBondContact O-N 3.48Å; S58-I62 VanDerWaalsContact OG-CD1 3.28Å; S58-I62 WeakPolarHBondContact OG-CD1 3.28Å |
| 59 | N | 64.5 | Low | 69.7 | Low | 89 Ų | 89 | 91.1 Ų | 91.1 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.3 | -37.3 | 179.2 | -71.5 | -14.8 | 0 | 0 | 0 | 109.3 | R55 A56 I57 E61 I62 Y63 | R55-N59 VanDerWaalsContact O-CA 3.3Å; R55-N59 WeakPolarHBondContact O-CA 2.94Å; R55-N59 WeakPolarHBondContact O-CB 3.3Å; R55-N59 PolarHBondContact O-N 3.38Å; R55-N59 PolarHBondContact O-ND2 2.88Å; R55-N59 VanDerWaalsContact O-ND2 3.09Å; R55-N59 PolarHBondContact O-OD1 3.49Å; A56-N59 PolarHBondContact O-N 2.89Å; I57-N59 PolarHBondContact O-N 3.35Å; N59-E61 VanDerWaalsContact C-N 3.35Å; N59-I62 PolarHBondContact O-N 3.02Å; N59-Y63 WeakPolarHBondContact O-CB 3.05Å; N59-Y63 PolarHBondContact O-N 3.09Å |
| 60 | G | 68.1 | Low | 70.8 | Confident | 24 Ų | 24 | 90.4 Ų | 90.4 | 25% | 0.247 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A56 I57 S58 R64 | A56-G60 PolarHBondContact O-N 3.25Å; I57-G60 PolarHBondContact O-N 3.05Å; S58-G60 VanDerWaalsContact C-N 3.33Å; G60-R64 WeakPolarHBondContact O-CG 3.38Å; G60-R64 PolarHBondContact O-N 3.37Å; G60-R64 PolarHBondContact O-NH1 3.31Å |
| 61 | E | 73 | Confident | 71.8 | Confident | 85 Ų | 85 | 92 Ų | 92 | 40% | 0.397 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -46.8 | 174.2 | -64.4 | -57.8 | 157.3 | 0 | 0 | 112.4 | I57 S58 N59 Y63 R64 F65 | I57-E61 PolarHBondContact O-N 3.45Å; I57-E61 VanDerWaalsContact O-N 3.15Å; S58-E61 PolarHBondContact O-N 2.67Å; N59-E61 VanDerWaalsContact C-N 3.35Å; E61-Y63 VanDerWaalsContact C-N 3.27Å; E61-Y63 PolarHBondContact O-N 3.39Å; E61-R64 WeakPolarHBondContact O-CB 3.29Å; E61-R64 PolarHBondContact O-N 3.2Å; E61-R64 VanDerWaalsContact O-N 3.14Å; E61-R64 IonicContact OE1-CZ 3.58Å; E61-R64 IonicContact OE1-NE 3.74Å; E61-R64 IonicContact OE1-NH2 2.65Å; E61-R64 PolarHBondContact OE1-NH2 3.44Å; E61-R64 IonicContact OE2-CZ 3.54Å; E61-R64 IonicContact OE2-NE 2.98Å; E61-R64 PolarHBondContact OE2-NE 2.94Å; E61-R64 IonicContact OE2-NH2 3.31Å; E61-R64 PolarHBondContact OE2-NH2 2.62Å; E61-F65 HydrophobicContact CB-CD2 4.4Å; E61-F65 HydrophobicContact CB-CE2 4.2Å; E61-F65 WeakPolarHBondContact O-CD2 2.97Å; E61-F65 PolarHBondContact O-N 3.46Å |
| 62 | I | 73.6 | Confident | 72.9 | Confident | 92 Ų | 92 | 94.6 Ų | 94.6 | 47% | 0.472 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 179.2 | -70.1 | 160.1 | 0 | 0 | 0 | 110.5 | S58 N59 F65 H66 | S58-I62 VanDerWaalsContact O-CB 3.29Å; S58-I62 WeakPolarHBondContact O-CB 3.48Å; S58-I62 VanDerWaalsContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CD1 3.3Å; S58-I62 WeakPolarHBondContact O-CG1 3.19Å; S58-I62 PolarHBondContact O-N 3.48Å; S58-I62 VanDerWaalsContact OG-CD1 3.28Å; S58-I62 WeakPolarHBondContact OG-CD1 3.28Å; N59-I62 PolarHBondContact O-N 3.02Å; I62-F65 PolarHBondContact O-N 3.14Å; I62-H66 WeakPolarHBondContact O-CB 3.4Å; I62-H66 PolarHBondContact O-N 2.84Å |
| 63 | Y | 76.4 | Confident | 73.7 | Confident | 149 Ų | 149 | 90.5 Ų | 90.5 | 58% | 0.584 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.1 | -40.9 | 178.5 | -170.5 | -97.2 | 0 | 0 | 0 | 111.5 | N59 E61 H66 V67 | N59-Y63 WeakPolarHBondContact O-CB 3.05Å; N59-Y63 PolarHBondContact O-N 3.09Å; E61-Y63 VanDerWaalsContact C-N 3.27Å; E61-Y63 PolarHBondContact O-N 3.39Å; Y63-H66 WeakPolarHBondContact O-CB 3.26Å; Y63-H66 PolarHBondContact O-N 3.23Å; Y63-V67 HydrophobicContact CD1-CG2 4.23Å; Y63-V67 HydrophobicContact CE1-CG2 3.88Å; Y63-V67 WeakPolarHBondContact O-CG2 3.19Å; Y63-V67 PolarHBondContact O-N 2.7Å |
| 64 | R | 77.9 | Confident | 74.7 | Confident | 130 Ų | 130 | 92.4 Ų | 92.4 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.9 | -51 | 172.5 | -74.9 | -175.2 | -82.6 | -83.6 | 14.7 | 111.3 | G60 E61 H66 V67 L68 | G60-R64 WeakPolarHBondContact O-CG 3.38Å; G60-R64 PolarHBondContact O-N 3.37Å; G60-R64 PolarHBondContact O-NH1 3.31Å; E61-R64 WeakPolarHBondContact O-CB 3.29Å; E61-R64 PolarHBondContact O-N 3.2Å; E61-R64 VanDerWaalsContact O-N 3.14Å; E61-R64 IonicContact OE1-CZ 3.58Å; E61-R64 IonicContact OE1-NE 3.74Å; E61-R64 IonicContact OE1-NH2 2.65Å; E61-R64 PolarHBondContact OE1-NH2 3.44Å; E61-R64 IonicContact OE2-CZ 3.54Å; E61-R64 IonicContact OE2-NE 2.98Å; E61-R64 PolarHBondContact OE2-NE 2.94Å; E61-R64 IonicContact OE2-NH2 3.31Å; E61-R64 PolarHBondContact OE2-NH2 2.62Å; R64-H66 VanDerWaalsContact C-N 3.3Å; R64-H66 PolarHBondContact O-N 3.15Å; R64-V67 PolarHBondContact O-N 2.77Å; R64-L68 WeakPolarHBondContact O-CG 3.43Å; R64-L68 PolarHBondContact O-N 3.39Å |
| 65 | F | 79.1 | Confident | 75.9 | Confident | 121 Ų | 121 | 93 Ų | 93 | 53% | 0.531 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 176.2 | -70.7 | -65.3 | 0 | 0 | 0 | 111.8 | E61 I62 V67 L68 L69 | E61-F65 HydrophobicContact CB-CD2 4.4Å; E61-F65 HydrophobicContact CB-CE2 4.2Å; E61-F65 WeakPolarHBondContact O-CD2 2.97Å; E61-F65 PolarHBondContact O-N 3.46Å; I62-F65 PolarHBondContact O-N 3.14Å; F65-V67 PolarHBondContact O-N 3.31Å; F65-L68 PolarHBondContact O-N 2.74Å; F65-L69 VanDerWaalsContact O-CB 3.25Å; F65-L69 WeakPolarHBondContact O-CB 3.06Å; F65-L69 WeakPolarHBondContact O-CG 3.3Å; F65-L69 PolarHBondContact O-N 3.44Å |
| 66 | H | 81 | Confident | 76.9 | Confident | 84 Ų | 84 | 87.5 Ų | 87.5 | 39% | 0.389 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 178.8 | -178.3 | -90.2 | 0 | 0 | 0 | 112.3 | I62 Y63 R64 N70 | I62-H66 WeakPolarHBondContact O-CB 3.4Å; I62-H66 PolarHBondContact O-N 2.84Å; Y63-H66 WeakPolarHBondContact O-CB 3.26Å; Y63-H66 PolarHBondContact O-N 3.23Å; R64-H66 VanDerWaalsContact C-N 3.3Å; R64-H66 PolarHBondContact O-N 3.15Å; H66-N70 VanDerWaalsContact O-CB 3.26Å; H66-N70 WeakPolarHBondContact O-CB 3.5Å; H66-N70 PolarHBondContact O-N 3.45Å |
| 67 | V | 84.1 | Confident | 77.5 | Confident | 74 Ų | 74 | 89.6 Ų | 89.6 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 176.8 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | Y63 R64 F65 N70 S71 | Y63-V67 HydrophobicContact CD1-CG2 4.23Å; Y63-V67 HydrophobicContact CE1-CG2 3.88Å; Y63-V67 WeakPolarHBondContact O-CG2 3.19Å; Y63-V67 PolarHBondContact O-N 2.7Å; R64-V67 PolarHBondContact O-N 2.77Å; F65-V67 PolarHBondContact O-N 3.31Å; V67-N70 PolarHBondContact O-N 3.18Å; V67-S71 PolarHBondContact O-N 3.14Å; V67-S71 VanDerWaalsContact O-N 3.12Å |
| 68 | L | 85.1 | Confident | 78.4 | Confident | 118 Ų | 118 | 91.5 Ų | 91.5 | 62% | 0.618 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.8 | -46.6 | 178.1 | -67.9 | 174.4 | 0 | 0 | 0 | 111.9 | R64 F65 S71 L72 | R64-L68 WeakPolarHBondContact O-CG 3.43Å; R64-L68 PolarHBondContact O-N 3.39Å; F65-L68 PolarHBondContact O-N 2.74Å; L68-S71 PolarHBondContact O-N 3.31Å; L68-L72 WeakPolarHBondContact O-CB 3.15Å; L68-L72 PolarHBondContact O-N 3.32Å |
| 69 | L | 83.2 | Confident | 79.1 | Confident | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 175.8 | -72.1 | 175 | 0 | 0 | 0 | 110 | F65 S71 L72 F73 | F65-L69 VanDerWaalsContact O-CB 3.25Å; F65-L69 WeakPolarHBondContact O-CB 3.06Å; F65-L69 WeakPolarHBondContact O-CG 3.3Å; F65-L69 PolarHBondContact O-N 3.44Å; L69-S71 VanDerWaalsContact C-N 3.28Å; L69-S71 PolarHBondContact O-N 2.65Å; L69-L72 PolarHBondContact O-N 3.35Å; L69-F73 HydrophobicContact CB-CD2 4.03Å; L69-F73 HydrophobicContact CB-CE2 3.87Å; L69-F73 HydrophobicContact CD2-CE2 3.94Å; L69-F73 HydrophobicContact CG-CE2 4.39Å; L69-F73 WeakPolarHBondContact O-CB 3.41Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 WeakPolarHBondContact O-CG 3.03Å; L69-F73 PolarHBondContact O-N 2.98Å |
| 70 | N | 82.9 | Confident | 79.7 | Confident | 87 Ų | 87 | 93.7 Ų | 93.7 | 47% | 0.465 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -54.4 | -44.5 | 179.5 | -171.1 | -84.2 | 0 | 0 | 0 | 112.4 | H66 V67 K74 | H66-N70 VanDerWaalsContact O-CB 3.26Å; H66-N70 WeakPolarHBondContact O-CB 3.5Å; H66-N70 PolarHBondContact O-N 3.45Å; V67-N70 PolarHBondContact O-N 3.18Å; N70-K74 WeakPolarHBondContact O-CB 3.25Å; N70-K74 PolarHBondContact O-N 2.85Å |
| 71 | S | 86.1 | Confident | 80.1 | Confident | 82 Ų | 82 | 94.5 Ų | 94.5 | 57% | 0.573 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.2 | -48 | 177 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | V67 L68 L69 F73 K74 V75 | V67-S71 PolarHBondContact O-N 3.14Å; V67-S71 VanDerWaalsContact O-N 3.12Å; L68-S71 PolarHBondContact O-N 3.31Å; L69-S71 VanDerWaalsContact C-N 3.28Å; L69-S71 PolarHBondContact O-N 2.65Å; S71-F73 VanDerWaalsContact C-N 3.29Å; S71-F73 PolarHBondContact O-N 3.17Å; S71-K74 WeakPolarHBondContact O-CB 3.49Å; S71-K74 PolarHBondContact O-N 3.26Å; S71-K74 VanDerWaalsContact O-N 3.09Å; S71-V75 PolarHBondContact O-N 2.82Å |
| 72 | L | 83.3 | Confident | 80.3 | Confident | 92 Ų | 92 | 99.8 Ų | 99.8 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 177 | 178.7 | 63.4 | 0 | 0 | 0 | 111.6 | L68 L69 K74 V75 L76 | L68-L72 WeakPolarHBondContact O-CB 3.15Å; L68-L72 PolarHBondContact O-N 3.32Å; L69-L72 PolarHBondContact O-N 3.35Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 2.77Å; L72-V75 HydrophobicContact CD1-CG1 4.37Å; L72-V75 WeakPolarHBondContact O-CG1 3.46Å; L72-V75 PolarHBondContact O-N 3.41Å; L72-L76 HydrophobicContact CD1-CD1 3.99Å; L72-L76 HydrophobicContact CG-CD1 4.44Å; L72-L76 WeakPolarHBondContact O-CB 3.11Å; L72-L76 WeakPolarHBondContact O-CD1 3.4Å; L72-L76 PolarHBondContact O-N 3.32Å; L72-L76 VanDerWaalsContact O-N 3.09Å |
| 73 | F | 81 | Confident | 80.8 | Confident | 14 Ų | 14 | 102.7 Ų | 102.7 | 6% | 0.061 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 177.3 | -75.3 | -64.2 | 0 | 0 | 0 | 112 | L69 S71 V75 L76 F77 V92 R96 | L69-F73 HydrophobicContact CB-CD2 4.03Å; L69-F73 HydrophobicContact CB-CE2 3.87Å; L69-F73 HydrophobicContact CD2-CE2 3.94Å; L69-F73 HydrophobicContact CG-CE2 4.39Å; L69-F73 WeakPolarHBondContact O-CB 3.41Å; L69-F73 WeakPolarHBondContact O-CD2 3.48Å; L69-F73 WeakPolarHBondContact O-CG 3.03Å; L69-F73 PolarHBondContact O-N 2.98Å; S71-F73 VanDerWaalsContact C-N 3.29Å; S71-F73 PolarHBondContact O-N 3.17Å; F73-V75 VanDerWaalsContact C-N 3.28Å; F73-V75 PolarHBondContact O-N 3.36Å; F73-L76 CarbonylContact O-C 3.58Å; F73-L76 PolarHBondContact O-N 3.47Å; F73-F77 HydrophobicContact CB-CD2 4.05Å; F73-F77 HydrophobicContact CB-CE2 3.96Å; F73-F77 HydrophobicContact CD1-CE2 4.06Å; F73-F77 HydrophobicContact CG-CE2 4.36Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 PolarHBondContact O-N 3Å; F73-V92 HydrophobicContact CE1-CG1 3.59Å; F73-V92 HydrophobicContact CZ-CG1 3.32Å; F73-R96 VanDerWaalsContact CD1-CD 3.44Å; F73-R96 HydrophobicContact CE2-CG 4.27Å; F73-R96 VanDerWaalsContact CZ-CD 3.43Å; F73-R96 HydrophobicContact CZ-CG 4.26Å |
| 74 | K | 83.1 | Confident | 81 | Confident | 160 Ų | 160 | 97.7 Ų | 97.7 | 70% | 0.696 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.9 | -37.6 | 178.2 | -169.4 | 163.9 | 177.9 | 165 | 0 | 112.6 | N70 S71 L72 N78 | N70-K74 WeakPolarHBondContact O-CB 3.25Å; N70-K74 PolarHBondContact O-N 2.85Å; S71-K74 WeakPolarHBondContact O-CB 3.49Å; S71-K74 PolarHBondContact O-N 3.26Å; S71-K74 VanDerWaalsContact O-N 3.09Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 2.77Å; K74-N78 PolarHBondContact O-N 3.4Å |
| 75 | V | 84.7 | Confident | 81 | Confident | 94 Ų | 94 | 97.6 Ų | 97.6 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73 | -38.2 | 172.3 | 62 | 0 | 0 | 0 | 0 | 111.9 | S71 L72 F73 F77 N78 F79 | S71-V75 PolarHBondContact O-N 2.82Å; L72-V75 HydrophobicContact CD1-CG1 4.37Å; L72-V75 WeakPolarHBondContact O-CG1 3.46Å; L72-V75 PolarHBondContact O-N 3.41Å; F73-V75 VanDerWaalsContact C-N 3.28Å; F73-V75 PolarHBondContact O-N 3.36Å; V75-F77 PolarHBondContact O-N 2.93Å; V75-N78 WeakPolarHBondContact O-CB 3.41Å; V75-N78 PolarHBondContact O-N 3.45Å; V75-F79 PolarHBondContact O-N 3.01Å |
| 76 | L | 81.7 | Confident | 81.2 | Confident | 46 Ų | 46 | 95.8 Ų | 95.8 | 24% | 0.241 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.9 | -32.3 | 178.7 | -100.4 | 60.1 | 0 | 0 | 0 | 114.5 | L72 F73 F79 L84 | L72-L76 HydrophobicContact CD1-CD1 3.99Å; L72-L76 HydrophobicContact CG-CD1 4.44Å; L72-L76 WeakPolarHBondContact O-CB 3.11Å; L72-L76 WeakPolarHBondContact O-CD1 3.4Å; L72-L76 PolarHBondContact O-N 3.32Å; L72-L76 VanDerWaalsContact O-N 3.09Å; F73-L76 CarbonylContact O-C 3.58Å; F73-L76 PolarHBondContact O-N 3.47Å; L76-F79 WeakPolarHBondContact O-CB 2.91Å; L76-F79 PolarHBondContact O-N 3Å; L76-L84 HydrophobicContact CB-CD1 4.12Å; L76-L84 HydrophobicContact CD2-CD1 3.25Å; L76-L84 HydrophobicContact CG-CD1 3.44Å; L76-L84 VanDerWaalsContact CG-CD1 3.44Å |
| 77 | F | 73.4 | Confident | 81.4 | Confident | 96 Ų | 96 | 98.2 Ų | 98.2 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -79.7 | -20.8 | 175.5 | -80.4 | -72.9 | 0 | 0 | 0 | 113.2 | F73 V75 F79 F93 R96 | F73-F77 HydrophobicContact CB-CD2 4.05Å; F73-F77 HydrophobicContact CB-CE2 3.96Å; F73-F77 HydrophobicContact CD1-CE2 4.06Å; F73-F77 HydrophobicContact CG-CE2 4.36Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 PolarHBondContact O-N 3Å; V75-F77 PolarHBondContact O-N 2.93Å; F77-F79 VanDerWaalsContact C-N 3.28Å; F77-F79 CarbonylContact C-O 3.58Å; F77-F93 HydrophobicContact CE1-CD1 4.32Å; F77-F93 HydrophobicContact CE1-CE1 4.04Å; F77-F93 HydrophobicContact CE2-CE1 4.49Å; F77-F93 AromaticContact CZ-CD1 3.94Å; F77-F93 HydrophobicContact CZ-CD1 3.94Å; F77-F93 AromaticContact CZ-CE1 3.79Å; F77-F93 HydrophobicContact CZ-CE1 3.79Å; F77-R96 VanDerWaalsContact CE2-CZ 3.44Å; F77-R96 VanDerWaalsContact CE2-NE 3.31Å |
| 78 | N | 79.4 | Confident | 81.2 | Confident | 146 Ų | 146 | 97.2 Ų | 97.2 | 78% | 0.781 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.3 | -36 | 169.2 | -170.7 | -81.5 | 0 | 0 | 0 | 110.3 | K74 V75 | K74-N78 PolarHBondContact O-N 3.4Å; V75-N78 WeakPolarHBondContact O-CB 3.41Å; V75-N78 PolarHBondContact O-N 3.45Å |
| 79 | F | 80.2 | Confident | 80.9 | Confident | 130 Ų | 130 | 95.2 Ų | 95.2 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -70.1 | 143.7 | 165.3 | -140.9 | -100.3 | 0 | 0 | 0 | 109.7 | V75 L76 F77 S81 Y83 | V75-F79 PolarHBondContact O-N 3.01Å; L76-F79 WeakPolarHBondContact O-CB 2.91Å; L76-F79 PolarHBondContact O-N 3Å; F77-F79 VanDerWaalsContact C-N 3.28Å; F77-F79 CarbonylContact C-O 3.58Å; F79-S81 PolarHBondContact O-N 3.09Å; F79-Y83 AromaticContact CD1-CD2 3.79Å; F79-Y83 HydrophobicContact CD1-CD2 3.79Å; F79-Y83 HydrophobicContact CD1-CE2 4.45Å; F79-Y83 AromaticContact CE1-CD2 3.48Å; F79-Y83 HydrophobicContact CE1-CD2 3.48Å; F79-Y83 VanDerWaalsContact CE1-CD2 3.48Å; F79-Y83 AromaticContact CE1-CE2 3.9Å; F79-Y83 HydrophobicContact CE1-CE2 3.9Å; F79-Y83 HydrophobicContact CE1-CG 4.19Å |
| 80 | P | 76 | Confident | 80.6 | Confident | 61 Ų | 61 | 93.7 Ų | 93.7 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | trans | -58.8 | 101.6 | 172 | -19.6 | 30.9 | 0 | 0 | 0 | 108.3 | R82 Y83 | P80-R82 PolarHBondContact O-N 3.4Å; P80-Y83 HydrophobicContact CB-CD2 4.26Å; P80-Y83 HydrophobicContact CB-CE2 4.2Å; P80-Y83 HydrophobicContact CG-CE2 4.25Å; P80-Y83 WeakPolarHBondContact O-CD2 3Å; P80-Y83 PolarHBondContact O-N 3.26Å; P80-Y83 VanDerWaalsContact O-N 3.09Å | ||
| 81 | S | 77.1 | Confident | 80.2 | Confident | 40 Ų | 40 | 93.1 Ų | 93.1 | 28% | 0.28 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -13.4 | -177.4 | 55.7 | 0 | 0 | 0 | 0 | 113.4 | F79 Y83 L84 F85 | F79-S81 PolarHBondContact O-N 3.09Å; S81-Y83 PolarHBondContact O-N 3.36Å; S81-L84 PolarHBondContact O-N 3.13Å; S81-F85 PolarHBondContact O-N 3.18Å |
| 82 | R | 76.4 | Confident | 79.7 | Confident | 197 Ų | 197 | 92.1 Ų | 92.1 | 74% | 0.743 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -46.4 | -36.5 | 168.2 | -62.5 | -163 | -70.8 | -159.6 | -1.1 | 113.8 | P80 A86 | P80-R82 PolarHBondContact O-N 3.4Å; R82-A86 PolarHBondContact O-N 3.2Å; R82-A86 VanDerWaalsContact O-N 3.08Å |
| 83 | Y | 84.2 | Confident | 79.1 | Confident | 153 Ų | 153 | 89.5 Ų | 89.5 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70.6 | -38.4 | 178.7 | -67.3 | -74.8 | 0 | 0 | 0 | 112.8 | F79 P80 S81 F85 A86 I87 | F79-Y83 AromaticContact CD1-CD2 3.79Å; F79-Y83 HydrophobicContact CD1-CD2 3.79Å; F79-Y83 HydrophobicContact CD1-CE2 4.45Å; F79-Y83 AromaticContact CE1-CD2 3.48Å; F79-Y83 HydrophobicContact CE1-CD2 3.48Å; F79-Y83 VanDerWaalsContact CE1-CD2 3.48Å; F79-Y83 AromaticContact CE1-CE2 3.9Å; F79-Y83 HydrophobicContact CE1-CE2 3.9Å; F79-Y83 HydrophobicContact CE1-CG 4.19Å; P80-Y83 HydrophobicContact CB-CD2 4.26Å; P80-Y83 HydrophobicContact CB-CE2 4.2Å; P80-Y83 HydrophobicContact CG-CE2 4.25Å; P80-Y83 WeakPolarHBondContact O-CD2 3Å; P80-Y83 PolarHBondContact O-N 3.26Å; P80-Y83 VanDerWaalsContact O-N 3.09Å; S81-Y83 PolarHBondContact O-N 3.36Å; Y83-F85 VanDerWaalsContact C-N 3.35Å; Y83-A86 WeakPolarHBondContact O-CB 3.42Å; Y83-A86 PolarHBondContact O-N 2.99Å; Y83-I87 PolarHBondContact O-N 3.23Å; Y83-I87 VanDerWaalsContact O-N 3.16Å |
| 84 | L | 80.5 | Confident | 78.4 | Confident | 43 Ų | 43 | 91.6 Ų | 91.6 | 23% | 0.225 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -75 | -29.7 | 177.8 | -61.8 | -178.7 | 0 | 0 | 0 | 112.2 | L76 S81 A86 I87 L89 F93 | L76-L84 HydrophobicContact CB-CD1 4.12Å; L76-L84 HydrophobicContact CD2-CD1 3.25Å; L76-L84 HydrophobicContact CG-CD1 3.44Å; L76-L84 VanDerWaalsContact CG-CD1 3.44Å; S81-L84 PolarHBondContact O-N 3.13Å; L84-A86 VanDerWaalsContact C-N 3.32Å; L84-I87 PolarHBondContact O-N 3.09Å; L84-L89 HydrophobicContact CB-CB 4.49Å; L84-L89 HydrophobicContact CB-CD1 4.34Å; L84-L89 HydrophobicContact CD2-CD1 4.03Å; L84-L89 WeakPolarHBondContact O-CB 3.46Å; L84-L89 PolarHBondContact O-N 3.12Å; L84-L89 VanDerWaalsContact O-N 3.09Å; L84-F93 HydrophobicContact CB-CE2 3.6Å; L84-F93 HydrophobicContact CB-CZ 3.76Å; L84-F93 HydrophobicContact CD1-CE2 4.44Å; L84-F93 HydrophobicContact CD1-CZ 3.93Å |
| 85 | F | 79.6 | Confident | 77.6 | Confident | 128 Ų | 128 | 90.2 Ų | 90.2 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 168.7 | -173.5 | -93.5 | 0 | 0 | 0 | 110.8 | S81 Y83 I87 G88 V90 | S81-F85 PolarHBondContact O-N 3.18Å; Y83-F85 VanDerWaalsContact C-N 3.35Å; F85-I87 VanDerWaalsContact C-N 3.35Å; F85-I87 PolarHBondContact O-N 3.35Å; F85-G88 PolarHBondContact O-N 2.83Å; F85-V90 HydrophobicContact CD2-CB 4.29Å; F85-V90 HydrophobicContact CD2-CG1 4.16Å; F85-V90 HydrophobicContact CD2-CG2 3.53Å; F85-V90 HydrophobicContact CE2-CB 4.15Å; F85-V90 HydrophobicContact CE2-CG1 3.65Å; F85-V90 HydrophobicContact CE2-CG2 3.5Å; F85-V90 VanDerWaalsContact CE2-CG2 3.5Å; F85-V90 HydrophobicContact CG-CG2 4.13Å; F85-V90 HydrophobicContact CZ-CG2 4.07Å |
| 86 | A | 83.1 | Confident | 76.5 | Confident | 84 Ų | 84 | 89.9 Ų | 89.9 | 69% | 0.694 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64 | -35.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | R82 Y83 L84 G88 | R82-A86 PolarHBondContact O-N 3.2Å; R82-A86 VanDerWaalsContact O-N 3.08Å; Y83-A86 WeakPolarHBondContact O-CB 3.42Å; Y83-A86 PolarHBondContact O-N 2.99Å; L84-A86 VanDerWaalsContact C-N 3.32Å; A86-G88 PolarHBondContact O-N 3.16Å |
| 87 | I | 83.6 | Confident | 75.4 | Confident | 134 Ų | 134 | 98.7 Ų | 98.7 | 69% | 0.687 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.1 | 178.7 | -141.8 | 165.4 | 0 | 0 | 0 | 113.6 | Y83 L84 F85 L89 | Y83-I87 PolarHBondContact O-N 3.23Å; Y83-I87 VanDerWaalsContact O-N 3.16Å; L84-I87 PolarHBondContact O-N 3.09Å; F85-I87 VanDerWaalsContact C-N 3.35Å; F85-I87 PolarHBondContact O-N 3.35Å; I87-L89 HydrophobicContact CG2-CD1 4.06Å; I87-L89 HydrophobicContact CG2-CG 3.78Å |
| 88 | G | 80.7 | Confident | 74.7 | Confident | 53 Ų | 53 | 99.7 Ų | 99.7 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 13.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | F85 A86 V90 | F85-G88 PolarHBondContact O-N 2.83Å; A86-G88 PolarHBondContact O-N 3.16Å; G88-V90 PolarHBondContact O-N 3.26Å |
| 89 | L | 78.5 | Confident | 73.6 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 40% | 0.398 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 19.3 | 173 | -64.9 | 178.6 | 0 | 0 | 0 | 113.3 | L84 I87 A91 V92 F93 | L84-L89 HydrophobicContact CB-CB 4.49Å; L84-L89 HydrophobicContact CB-CD1 4.34Å; L84-L89 HydrophobicContact CD2-CD1 4.03Å; L84-L89 WeakPolarHBondContact O-CB 3.46Å; L84-L89 PolarHBondContact O-N 3.12Å; L84-L89 VanDerWaalsContact O-N 3.09Å; I87-L89 HydrophobicContact CG2-CD1 4.06Å; I87-L89 HydrophobicContact CG2-CG 3.78Å; L89-A91 PolarHBondContact O-N 3.13Å; L89-V92 HydrophobicContact CD2-CG2 4.42Å; L89-V92 WeakPolarHBondContact O-CB 3.24Å; L89-V92 PolarHBondContact O-N 3.49Å; L89-F93 HydrophobicContact CB-CE2 4.34Å; L89-F93 VanDerWaalsContact O-CD2 3.24Å; L89-F93 WeakPolarHBondContact O-CD2 3.49Å; L89-F93 PolarHBondContact O-N 3.44Å |
| 90 | V | 77.2 | Confident | 72.1 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 32% | 0.315 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -52.2 | -41.1 | -179.9 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | F85 G88 V92 F93 S94 | F85-V90 HydrophobicContact CD2-CB 4.29Å; F85-V90 HydrophobicContact CD2-CG1 4.16Å; F85-V90 HydrophobicContact CD2-CG2 3.53Å; F85-V90 HydrophobicContact CE2-CB 4.15Å; F85-V90 HydrophobicContact CE2-CG1 3.65Å; F85-V90 HydrophobicContact CE2-CG2 3.5Å; F85-V90 VanDerWaalsContact CE2-CG2 3.5Å; F85-V90 HydrophobicContact CG-CG2 4.13Å; F85-V90 HydrophobicContact CZ-CG2 4.07Å; G88-V90 PolarHBondContact O-N 3.26Å; V90-V92 PolarHBondContact O-N 2.98Å; V90-F93 CarbonylContact O-C 3.35Å; V90-F93 WeakPolarHBondContact O-CA 3.45Å; V90-F93 WeakPolarHBondContact O-CB 3.41Å; V90-F93 PolarHBondContact O-N 3.13Å; V90-S94 PolarHBondContact O-N 3.23Å; V90-S94 PolarHBondContact O-OG 3.46Å |
| 91 | A | 74 | Confident | 71 | Confident | 75 Ų | 75 | 97.5 Ų | 97.5 | 62% | 0.62 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.1 | -35.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L89 F93 L95 | L89-A91 PolarHBondContact O-N 3.13Å; A91-F93 VanDerWaalsContact C-N 3.33Å; A91-L95 PolarHBondContact O-N 3.09Å; A91-L95 VanDerWaalsContact O-N 3.13Å |
| 92 | V | 76.1 | Confident | 69.7 | Low | 61 Ų | 61 | 98.2 Ų | 98.2 | 37% | 0.37 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.4 | -34.2 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | F73 L89 V90 R96 | F73-V92 HydrophobicContact CE1-CG1 3.59Å; F73-V92 HydrophobicContact CZ-CG1 3.32Å; L89-V92 HydrophobicContact CD2-CG2 4.42Å; L89-V92 WeakPolarHBondContact O-CB 3.24Å; L89-V92 PolarHBondContact O-N 3.49Å; V90-V92 PolarHBondContact O-N 2.98Å; V92-R96 PolarHBondContact O-N 3.49Å |
| 93 | F | 70.9 | Confident | 68.6 | Low | 36 Ų | 36 | 95.4 Ų | 95.4 | 16% | 0.158 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -74.2 | -40.5 | 174.8 | -68.9 | -75.9 | 0 | 0 | 0 | 112.5 | F77 L84 L89 V90 A91 L95 R96 W97 | F77-F93 HydrophobicContact CE1-CD1 4.32Å; F77-F93 HydrophobicContact CE1-CE1 4.04Å; F77-F93 HydrophobicContact CE2-CE1 4.49Å; F77-F93 AromaticContact CZ-CD1 3.94Å; F77-F93 HydrophobicContact CZ-CD1 3.94Å; F77-F93 AromaticContact CZ-CE1 3.79Å; F77-F93 HydrophobicContact CZ-CE1 3.79Å; L84-F93 HydrophobicContact CB-CE2 3.6Å; L84-F93 HydrophobicContact CB-CZ 3.76Å; L84-F93 HydrophobicContact CD1-CE2 4.44Å; L84-F93 HydrophobicContact CD1-CZ 3.93Å; L89-F93 HydrophobicContact CB-CE2 4.34Å; L89-F93 VanDerWaalsContact O-CD2 3.24Å; L89-F93 WeakPolarHBondContact O-CD2 3.49Å; L89-F93 PolarHBondContact O-N 3.44Å; V90-F93 CarbonylContact O-C 3.35Å; V90-F93 WeakPolarHBondContact O-CA 3.45Å; V90-F93 WeakPolarHBondContact O-CB 3.41Å; V90-F93 PolarHBondContact O-N 3.13Å; A91-F93 VanDerWaalsContact C-N 3.33Å; F93-L95 PolarHBondContact O-N 2.86Å; F93-R96 PolarHBondContact O-N 3.02Å; F93-W97 PolarHBondContact O-N 2.8Å; F93-W97 VanDerWaalsContact O-N 3.09Å |
| 94 | S | 66.7 | Low | 66.9 | Low | 58 Ų | 58 | 91.1 Ų | 91.1 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -56.7 | -51.1 | 174.7 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | V90 R96 W97 D98 | V90-S94 PolarHBondContact O-N 3.23Å; V90-S94 PolarHBondContact O-OG 3.46Å; S94-R96 PolarHBondContact O-N 3.02Å; S94-R96 VanDerWaalsContact O-N 3.13Å; S94-W97 PolarHBondContact O-N 3.06Å; S94-W97 VanDerWaalsContact O-N 3.13Å; S94-D98 PolarHBondContact O-N 3.32Å; S94-D98 VanDerWaalsContact O-OD2 3.05Å |
| 95 | L | 65 | Low | 65.2 | Low | 132 Ų | 132 | 93.6 Ų | 93.6 | 69% | 0.691 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.7 | -30.9 | 179.7 | -171.2 | 66 | 0 | 0 | 0 | 113.1 | A91 F93 S99 | A91-L95 PolarHBondContact O-N 3.09Å; A91-L95 VanDerWaalsContact O-N 3.13Å; F93-L95 PolarHBondContact O-N 2.86Å; L95-S99 VanDerWaalsContact O-CB 3.3Å; L95-S99 WeakPolarHBondContact O-CB 3.49Å; L95-S99 PolarHBondContact O-N 3.29Å |
| 96 | R | 62.8 | Low | 63.6 | Low | 87 Ų | 87 | 92.6 Ų | 92.6 | 33% | 0.328 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -77 | -34.3 | 178 | -84.9 | 179.2 | 63.1 | 90.1 | -6.2 | 114.2 | F73 F77 V92 F93 S94 | F73-R96 VanDerWaalsContact CD1-CD 3.44Å; F73-R96 HydrophobicContact CE2-CG 4.27Å; F73-R96 VanDerWaalsContact CZ-CD 3.43Å; F73-R96 HydrophobicContact CZ-CG 4.26Å; F77-R96 VanDerWaalsContact CE2-CZ 3.44Å; F77-R96 VanDerWaalsContact CE2-NE 3.31Å; V92-R96 PolarHBondContact O-N 3.49Å; F93-R96 PolarHBondContact O-N 3.02Å; S94-R96 PolarHBondContact O-N 3.02Å; S94-R96 VanDerWaalsContact O-N 3.13Å |
| 97 | W | 59 | Low | 61.9 | Low | 231 Ų | 231 | 96.2 Ų | 96.2 | 88% | 0.875 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.6 | -38.8 | 176 | -173.1 | -101.5 | 0 | 0 | 0 | 111 | F93 S94 S99 | F93-W97 PolarHBondContact O-N 2.8Å; F93-W97 VanDerWaalsContact O-N 3.09Å; S94-W97 PolarHBondContact O-N 3.06Å; S94-W97 VanDerWaalsContact O-N 3.13Å; W97-S99 VanDerWaalsContact C-N 3.25Å; W97-S99 PolarHBondContact O-N 3.44Å |
| 98 | D | 57.2 | Low | 60 | Low | 117 Ų | 117 | 97.8 Ų | 97.8 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -77 | -12.3 | 176.2 | -63.6 | -46.6 | 0 | 0 | 0 | 113 | S94 P100 | S94-D98 PolarHBondContact O-N 3.32Å; S94-D98 VanDerWaalsContact O-OD2 3.05Å; D98-P100 WeakPolarHBondContact O-CD 3.47Å; D98-P100 VanDerWaalsContact O-N 3.15Å |
| 99 | S | 57.7 | Low | 58.3 | Low | 63 Ų | 63 | 101.8 Ų | 101.8 | 44% | 0.441 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -69.9 | 107.4 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | L95 W97 P101 | L95-S99 VanDerWaalsContact O-CB 3.3Å; L95-S99 WeakPolarHBondContact O-CB 3.49Å; L95-S99 PolarHBondContact O-N 3.29Å; W97-S99 VanDerWaalsContact C-N 3.25Å; W97-S99 PolarHBondContact O-N 3.44Å; S99-P101 WeakPolarHBondContact O-CD 3.46Å |
| 100 | P | 48.4 | Very low | 56.6 | Low | 95 Ų | 95 | 103.5 Ų | 103.5 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | trans | -61.4 | 130.9 | 173.7 | -11.7 | 28.5 | 0 | 0 | 0 | 105.8 | D98 A102 | D98-P100 WeakPolarHBondContact O-CD 3.47Å; D98-P100 VanDerWaalsContact O-N 3.15Å; P100-A102 HydrophobicContact CB-CB 3.95Å; P100-A102 PolarHBondContact O-N 3.09Å | ||
| 101 | P | 52.7 | Low | 55 | Low | 132 Ų | 132 | 106.1 Ų | 106.1 | 86% | 0.857 | 60% | 0.603 | S | S | * | * | trans | -70.3 | 57.1 | 165.8 | 21.2 | -16.8 | 0 | 0 | 0 | 109.1 | S99 L103 | S99-P101 WeakPolarHBondContact O-CD 3.46Å; P101-L103 VanDerWaalsContact C-N 3.31Å; P101-L103 PolarHBondContact O-N 3.35Å | ||
| 102 | A | 49.8 | Very low | 53.3 | Low | 55 Ų | 55 | 108 Ų | 108 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.5 | 50.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P100 G104 | P100-A102 HydrophobicContact CB-CB 3.95Å; P100-A102 PolarHBondContact O-N 3.09Å; A102-G104 VanDerWaalsContact C-N 3.3Å |
| 103 | L | 52.8 | Low | 51.8 | Low | 139 Ų | 139 | 109.7 Ų | 109.7 | 73% | 0.728 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 8 | 144 | -66.2 | 179.8 | 0 | 0 | 0 | 111 | P101 | P101-L103 VanDerWaalsContact C-N 3.31Å; P101-L103 PolarHBondContact O-N 3.35Å |
| 104 | G | 48.6 | Very low | 50.2 | Low | 62 Ų | 62 | 112.9 Ų | 112.9 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -95.6 | -8.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A102 T106 | A102-G104 VanDerWaalsContact C-N 3.3Å; G104-T106 VanDerWaalsContact C-N 3.27Å; G104-T106 PolarHBondContact O-N 3.2Å |
| 105 | C | 44 | Very low | 49 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 64% | 0.642 | 67% | 0.674 | S | S | * | * | trans | -80.4 | 92.2 | 163.1 | 69.7 | 0 | 0 | 0 | 0 | 106.8 | L107 | C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 3.04Å | ||
| 106 | T | 46.7 | Very low | 47.7 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | trans | -18.8 | 107 | 131.3 | -37.3 | 0 | 0 | 0 | 0 | 107.2 | G104 E108 | G104-T106 VanDerWaalsContact C-N 3.27Å; G104-T106 PolarHBondContact O-N 3.2Å; T106-E108 HydrophobicContact CG2-CG 4.08Å; T106-E108 PolarHBondContact O-N 3.38Å | ||
| 107 | L | 47.9 | Very low | 46.5 | Very low | 160 Ų | 160 | 124.9 Ų | 124.9 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | trans | -54.6 | 88.4 | 142.1 | -104.7 | 163.9 | 0 | 0 | 0 | 101.8 | C105 Q109 | C105-L107 VanDerWaalsContact C-N 3.32Å; C105-L107 PolarHBondContact O-N 3.04Å; L107-Q109 PolarHBondContact O-N 3.48Å | ||
| 108 | E | 42.7 | Very low | 45.5 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -55 | 95.9 | 154.6 | -83.5 | -155.8 | 122.2 | 0 | 0 | 101.6 | T106 P110 | T106-E108 HydrophobicContact CG2-CG 4.08Å; T106-E108 PolarHBondContact O-N 3.38Å; E108-P110 VanDerWaalsContact O-CD 3.28Å; E108-P110 WeakPolarHBondContact O-CD 3.33Å | ||
| 109 | Q | 46.4 | Very low | 44.2 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | trans | -38.1 | 117.4 | 159.3 | 175.7 | 177.2 | -25.9 | 0 | 0 | 103.8 | L107 D111 | L107-Q109 PolarHBondContact O-N 3.48Å; Q109-D111 PolarHBondContact NE2-OD1 3.48Å; Q109-D111 PolarHBondContact O-N 3.32Å | ||
| 110 | P | 41.2 | Very low | 43 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | trans | -63.4 | 89.9 | 167.6 | 24.2 | -28.8 | 0 | 0 | 0 | 104 | E108 S112 | E108-P110 VanDerWaalsContact O-CD 3.28Å; E108-P110 WeakPolarHBondContact O-CD 3.33Å; P110-S112 PolarHBondContact O-N 3.18Å | ||
| 111 | D | 44.8 | Very low | 42.6 | Very low | 107 Ų | 107 | 130 Ų | 130 | 57% | 0.572 | 74% | 0.736 | S | S | * | * | trans | -72.6 | 91.8 | -174.3 | -135.4 | 6.4 | 0 | 0 | 0 | 103.9 | Q109 T113 | Q109-D111 PolarHBondContact NE2-OD1 3.48Å; Q109-D111 PolarHBondContact O-N 3.32Å; D111-T113 PolarHBondContact O-N 3.09Å | ||
| 112 | S | 38.2 | Very low | 41.8 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | trans | -73.7 | 56.8 | 176.1 | 46.5 | 0 | 0 | 0 | 0 | 108.2 | P110 | P110-S112 PolarHBondContact O-N 3.18Š| ||
| 113 | T | 43.7 | Very low | 41.5 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | trans | -101.2 | 78.7 | 156.3 | 43.3 | 0 | 0 | 0 | 0 | 107.7 | D111 R115 | D111-T113 PolarHBondContact O-N 3.09Å; T113-R115 PolarHBondContact O-N 2.79Å | ||
| 114 | A | 38.6 | Very low | 41 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -59.5 | 67.5 | 150 | 0 | 0 | 0 | 0 | 0 | 109.1 | R116 | A114-R116 PolarHBondContact O-N 3.05Š| ||
| 115 | R | 40.1 | Very low | 40.7 | Very low | 210 Ų | 210 | 133.2 Ų | 133.2 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | trans | -79.7 | 81.1 | 162.1 | -73.8 | -167.7 | 88.3 | -147.3 | 10 | 107.2 | T113 A117 | T113-R115 PolarHBondContact O-N 2.79Å; R115-A117 PolarHBondContact O-N 3.02Å | ||
| 116 | R | 38.2 | Very low | 40.6 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -10.7 | 119.1 | 144.2 | -161.9 | 176.1 | -172 | -159.7 | 1.6 | 112.9 | A114 | A114-R116 PolarHBondContact O-N 3.05Š| ||
| 117 | A | 37.1 | Very low | 40.1 | Very low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | trans | 54 | 103.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | R115 | R115-A117 PolarHBondContact O-N 3.02Š| ||
| 118 | R | 39 | Very low | 39.8 | Very low | 226 Ų | 226 | 139.8 Ų | 139.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | -142.3 | 128.4 | 122 | -75.3 | -160.3 | -66.7 | -84.3 | 1.7 | 110 | |||||
| 119 | C | 30.7 | Very low | 39.3 | Very low | 138 Ų | 138 | 140 Ų | 140 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | trans | -63.3 | 137.6 | 179.4 | -125.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 120 | G | 32.2 | Very low | 39 | Very low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | trans | 80.9 | 79 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 121 | Q | 39.3 | Very low | 38.7 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -144.7 | 120.2 | 140.2 | -80 | -67 | -95.2 | 0 | 0 | 109 | ||||
| 122 | P | 36.8 | Very low | 38.2 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 156.3 | 178.8 | 31.6 | -32.2 | 0 | 0 | 0 | 112.3 | S124 | P122-S124 PolarHBondContact O-N 2.76Š| ||
| 123 | P | 42.1 | Very low | 38.2 | Very low | 122 Ų | 122 | 151 Ų | 151 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -81.4 | 121.3 | -165.9 | 29.8 | -32.7 | 0 | 0 | 0 | 112.9 | S125 | P123-S125 PolarHBondContact O-N 3.28Å; P123-S125 VanDerWaalsContact O-N 3.09Å | ||
| 124 | S | 42.8 | Very low | 37.9 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -78 | 90.5 | 167.2 | 176 | 0 | 0 | 0 | 0 | 110.1 | P122 R126 | P122-S124 PolarHBondContact O-N 2.76Å; S124-R126 PolarHBondContact O-N 3.08Å | ||
| 125 | S | 42.1 | Very low | 38.1 | Very low | 107 Ų | 107 | 153.8 Ų | 153.8 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -51.7 | 118 | 158.9 | -65.9 | 0 | 0 | 0 | 0 | 111.3 | P123 | P123-S125 PolarHBondContact O-N 3.28Å; P123-S125 VanDerWaalsContact O-N 3.09Å | ||
| 126 | R | 41 | Very low | 38 | Very low | 232 Ų | 232 | 153.8 Ų | 153.8 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | trans | -143 | 95.5 | 144.8 | -104.3 | -177.7 | -175.7 | 135 | 1 | 109.4 | S124 | S124-R126 PolarHBondContact O-N 3.08Š| ||
| 127 | A | 38 | Very low | 37.8 | Very low | 93 Ų | 93 | 145.5 Ų | 145.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -58.7 | 126.9 | 160 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 128 | L | 40.6 | Very low | 37.9 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -121.5 | 108.9 | 154.1 | -75.2 | 171.1 | 0 | 0 | 0 | 106.9 | ||||
| 129 | H | 31.5 | Very low | 37.8 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -85 | 151.6 | -174 | -173.1 | -82.8 | 0 | 0 | 0 | 110.7 | ||||
| 130 | P | 41.3 | Very low | 38.1 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | trans | -75.8 | 146.4 | -174.4 | -11.1 | 28.6 | 0 | 0 | 0 | 112 | ||||
| 131 | L | 35 | Very low | 38.1 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | 179.4 | 133.6 | 141 | -98.2 | 166.2 | 0 | 0 | 0 | 113 | ||||
| 132 | R | 34.3 | Very low | 38 | Very low | 208 Ų | 208 | 154.1 Ų | 154.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | 77.4 | 107.4 | 154.2 | -65.5 | -114.8 | 157 | 93.5 | -2.4 | 119.5 | ||||
| 133 | R | 37.3 | Very low | 37.7 | Very low | 249 Ų | 249 | 154.3 Ų | 154.3 | 94% | 0.94 | 80% | 0.795 | S | S | * | * | trans | -118.9 | 115.2 | 134.3 | -71.2 | -127.9 | 177.1 | 144.7 | -0.1 | 108.5 | ||||
| 134 | P | 38.2 | Very low | 37.4 | Very low | 108 Ų | 108 | 153.8 Ų | 153.8 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -72.3 | 133.5 | 174.5 | -12.7 | 28.2 | 0 | 0 | 0 | 111.6 | ||||
| 135 | D | 41.8 | Very low | 36.8 | Very low | 150 Ų | 150 | 158.2 Ų | 158.2 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 27.7 | 104.8 | 140.9 | -156 | 56.7 | 0 | 0 | 0 | 118.4 | G137 | D135-G137 PolarHBondContact O-N 3.19Å; D135-G137 VanDerWaalsContact O-N 3.09Å | ||
| 136 | Q | 39.7 | Very low | 36.2 | Very low | 210 Ų | 210 | 159 Ų | 159 | 98% | 0.981 | 79% | 0.789 | S | S | * | * | trans | -76 | 85.4 | 167.7 | -84.1 | -179.4 | -47.6 | 0 | 0 | 109.8 | ||||
| 137 | G | 33.6 | Very low | 35.9 | Very low | 59 Ų | 59 | 153.6 Ų | 153.6 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | trans | -145.6 | 60.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D135 | D135-G137 PolarHBondContact O-N 3.19Å; D135-G137 VanDerWaalsContact O-N 3.09Å | ||
| 138 | S | 38.7 | Very low | 36 | Very low | 111 Ų | 111 | 153.9 Ų | 153.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -156.9 | 106.5 | 155.9 | -158.7 | 0 | 0 | 0 | 0 | 112.5 | R140 | S138-R140 PolarHBondContact O-N 3.42Š| ||
| 139 | L | 37.3 | Very low | 35.3 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 93% | 0.927 | 78% | 0.78 | S | S | * | * | trans | -54.8 | 111.4 | 157.2 | -68.4 | 166.9 | 0 | 0 | 0 | 109.2 | ||||
| 140 | R | 36.1 | Very low | 35.7 | Very low | 202 Ų | 202 | 146.4 Ų | 146.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -143.4 | 101.1 | 154.5 | -146.1 | -178.8 | 173 | -141 | -2.1 | 111.1 | S138 Q142 | S138-R140 PolarHBondContact O-N 3.42Å; R140-Q142 PolarHBondContact O-N 3.48Å; R140-Q142 VanDerWaalsContact O-N 3.16Å | ||
| 141 | R | 32.5 | Very low | 35.2 | Very low | 238 Ų | 238 | 146.8 Ų | 146.8 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -41.2 | 115.6 | 149.5 | -83.7 | 176.2 | 172.8 | 176.8 | -2.3 | 108.5 | ||||
| 142 | Q | 37.1 | Very low | 35.1 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | -136.3 | 93.1 | 147.4 | -145.3 | 164.5 | -30.4 | 0 | 0 | 108.4 | R140 | R140-Q142 PolarHBondContact O-N 3.48Å; R140-Q142 VanDerWaalsContact O-N 3.16Å | ||
| 143 | V | 30.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | trans | -62.4 | 158.2 | 156.1 | 167.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 144 | V | 35.8 | Very low | 34.8 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | trans | 98 | 88.8 | 176.4 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 145 | R | 31.3 | Very low | 34.7 | Very low | 208 Ų | 208 | 139.6 Ų | 139.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | 95.3 | 113.1 | 75.9 | -86.7 | -173.8 | -176.7 | 113.8 | 0.5 | 112.3 | |||||
| 146 | T | 29.6 | Very low | 34.6 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 55.2 | 134.5 | 134.1 | 59.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 147 | S | 33.6 | Very low | 34.4 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | trans | 97.1 | 103.1 | 145.4 | 79.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 148 | A | 40.1 | Very low | 34.4 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | 167.8 | 118.8 | 126.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 149 | G | 26.6 | Very low | 34.3 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -66.1 | -177 | 157 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 150 | P | 39.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 135 Ų | 135 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | -127.1 | 157.9 | 32.7 | 28.6 | -6.6 | 0 | 0 | 0 | 113 | ||||
| 151 | T | 30.2 | Very low | 34.4 | Very low | 104 Ų | 104 | 131 Ų | 131 | 64% | 0.638 | 78% | 0.775 | S | S | * | * | 71.7 | 125.8 | 64.2 | -27.2 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 152 | H | 33 | Very low | 34.8 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | 81.2 | 141.5 | 164.9 | -47.2 | -82 | 0 | 0 | 0 | 115.3 | ||||
| 153 | H | 35.2 | Very low | 34.8 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | cis | -164.9 | 140.4 | 20.7 | 11.2 | -92.2 | 0 | 0 | 0 | 109.7 | ||||
| 154 | T | 31 | Very low | 35.2 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -73.5 | 132.5 | 166.8 | -48.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 155 | A | 36.3 | Very low | 35.3 | Very low | 86 Ų | 86 | 121.9 Ų | 121.9 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 175.2 | 136.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 156 | V | 38 | Very low | 35.6 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | cis | -161.7 | 133.5 | -1.1 | -94 | 0 | 0 | 0 | 0 | 104.1 | G158 | V156-G158 PolarHBondContact O-N 3.09Š| ||
| 157 | D | 35.6 | Very low | 36.5 | Very low | 172 Ų | 172 | 123.6 Ų | 123.6 | 92% | 0.92 | 82% | 0.821 | S | S | * | * | trans | -67.1 | 98.3 | 167.5 | -72.8 | -58.3 | 0 | 0 | 0 | 108.9 | C159 | D157-C159 PolarHBondContact O-N 3.16Å; D157-C159 VanDerWaalsContact O-N 3.12Å | ||
| 158 | G | 33.6 | Very low | 36.6 | Very low | 70 Ų | 70 | 123.8 Ų | 123.8 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | -72.7 | 97.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | V156 P160 | V156-G158 PolarHBondContact O-N 3.09Å; G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.47Å | ||
| 159 | C | 36.7 | Very low | 36.4 | Very low | 115 Ų | 115 | 125.1 Ų | 125.1 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | trans | -70.2 | 115.7 | 167.6 | -160.4 | 0 | 0 | 0 | 0 | 108.6 | D157 S161 | D157-C159 PolarHBondContact O-N 3.16Å; D157-C159 VanDerWaalsContact O-N 3.12Å; C159-S161 PolarHBondContact O-N 3.32Å; C159-S161 VanDerWaalsContact O-N 3.09Å | ||
| 160 | P | 39.5 | Very low | 37 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -73.5 | 107.8 | 179.7 | 27.4 | -30.3 | 0 | 0 | 0 | 110 | G158 | G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.47Å | ||
| 161 | S | 36.5 | Very low | 36.8 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -79.6 | 118 | 157.1 | -67.9 | 0 | 0 | 0 | 0 | 109.1 | C159 | C159-S161 PolarHBondContact O-N 3.32Å; C159-S161 VanDerWaalsContact O-N 3.09Å | ||
| 162 | S | 42.3 | Very low | 37.2 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 84% | 0.841 | S | S | * | * | trans | -176 | 104.8 | 147.7 | 27.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 163 | A | 36.5 | Very low | 37.5 | Very low | 90 Ų | 90 | 128.5 Ų | 128.5 | 74% | 0.744 | 85% | 0.849 | S | S | * | * | 101.6 | 136 | 69.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 164 | S | 38.6 | Very low | 37.7 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 83% | 0.825 | 85% | 0.853 | S | S | * | * | trans | 91.3 | 89.6 | 160.7 | -40.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 165 | A | 38.5 | Very low | 38.2 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 91% | 0.909 | 85% | 0.849 | S | S | * | * | trans | -132.2 | 79.2 | 134.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 166 | L | 35.8 | Very low | 38.4 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 92% | 0.916 | 86% | 0.861 | S | S | * | * | trans | -92.8 | 110.9 | 157.7 | -91 | 162.3 | 0 | 0 | 0 | 106.4 | ||||
| 167 | S | 48.8 | Very low | 38.4 | Very low | 192 Ų | 192 | 126.2 Ų | 126.2 | 100% | 1.343 | 87% | 0.865 | S | S | * | * | -178.4 | 0 | 127.8 | -168.5 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 167 of 167 residues in 114.2 ms
(Link to these results)