| 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 | 35.9 | Very low | 40.7 | Very low | 213 Ų | 213 | 121.2 Ų | 121.2 | 100% | 1.049 | 63% | 0.627 | S | S | * | * | 0 | 125.2 | 0 | -156.3 | 161.7 | -175.8 | 0 | 0 | 107.4 | N5 | M1-N5 HydrophobicContact CE-CB 4.5Å; M1-N5 VanDerWaalsContact CE-ND2 3.32Å; M1-N5 WeakPolarHBondContact CE-ND2 3.31Å; M1-N5 HydrophobicContact CG-CB 4.33Å | |||
| 2 | S | 33.2 | Very low | 40.7 | Very low | 80 Ų | 80 | 116.1 Ų | 116.1 | 56% | 0.559 | 61% | 0.61 | S | S | * | * | trans | -65.6 | 154.2 | -169.1 | -176.5 | 0 | 0 | 0 | 0 | 113.4 | S4 N5 | S2-S4 PolarHBondContact O-N 2.78Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S2-S4 PolarHBondContact OG-OG 2.76Å; S2-N5 PolarHBondContact O-N 3.28Å; S2-N5 VanDerWaalsContact O-N 3.14Å | ||
| 3 | L | 43.1 | Very low | 41 | Very low | 150 Ų | 150 | 120.2 Ų | 120.2 | 79% | 0.785 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -32.2 | 176.7 | -89.3 | 88.9 | 0 | 0 | 0 | 112.9 | N5 K6 | L3-N5 PolarHBondContact O-N 2.99Å; L3-K6 PolarHBondContact O-N 3.03Å; L3-K6 VanDerWaalsContact O-N 3.14Å |
| 4 | S | 46.7 | Very low | 41.4 | Very low | 72 Ų | 72 | 119.7 Ų | 119.7 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -54.7 | -37.4 | 178.2 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | S2 K6 C7 F8 | S2-S4 PolarHBondContact O-N 2.78Å; S2-S4 VanDerWaalsContact O-N 3.16Å; S2-S4 PolarHBondContact OG-OG 2.76Å; S4-K6 VanDerWaalsContact C-N 3.29Å; S4-K6 PolarHBondContact O-N 3.47Å; S4-C7 PolarHBondContact O-N 3.34Å; S4-F8 PolarHBondContact O-N 3.05Å |
| 5 | N | 41.1 | Very low | 41.5 | Very low | 74 Ų | 74 | 119.7 Ų | 119.7 | 40% | 0.396 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69 | -22.7 | -178.1 | -81.3 | 5.8 | 0 | 0 | 0 | 113.7 | M1 S2 L3 | M1-N5 HydrophobicContact CE-CB 4.5Å; M1-N5 VanDerWaalsContact CE-ND2 3.32Å; M1-N5 WeakPolarHBondContact CE-ND2 3.31Å; M1-N5 HydrophobicContact CG-CB 4.33Å; S2-N5 PolarHBondContact O-N 3.28Å; S2-N5 VanDerWaalsContact O-N 3.14Å; L3-N5 PolarHBondContact O-N 2.99Å |
| 6 | K | 45 | Very low | 41.3 | Very low | 132 Ų | 132 | 117.9 Ų | 117.9 | 57% | 0.574 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.9 | -38.4 | 174.6 | -72.3 | -170.4 | 177 | -174.4 | 0 | 111.8 | L3 S4 F9 | L3-K6 PolarHBondContact O-N 3.03Å; L3-K6 VanDerWaalsContact O-N 3.14Å; S4-K6 VanDerWaalsContact C-N 3.29Å; S4-K6 PolarHBondContact O-N 3.47Å; K6-F9 PolarHBondContact O-N 2.78Å |
| 7 | C | 40.2 | Very low | 41 | Very low | 66 Ų | 66 | 115.3 Ų | 115.3 | 45% | 0.446 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.4 | -40.4 | -179.5 | -160.7 | 0 | 0 | 0 | 0 | 111.9 | S4 F9 F10 L104 | S4-C7 PolarHBondContact O-N 3.34Å; C7-F9 PolarHBondContact O-N 2.88Å; C7-F10 PolarHBondContact O-N 3.45Å; C7-L104 WeakPolarHBondContact SG-CD2 3.31Å |
| 8 | F | 41.1 | Very low | 40.8 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.2 | -30.1 | 178.7 | -154.7 | -92.8 | 0 | 0 | 0 | 112.8 | S4 F10 S12 | S4-F8 PolarHBondContact O-N 3.05Å; F8-F10 VanDerWaalsContact C-N 3.27Å; F8-F10 PolarHBondContact O-N 3.1Å; F8-S12 VanDerWaalsContact CD1-OG 3.28Å; F8-S12 WeakPolarHBondContact CD1-OG 3.41Å; F8-S12 WeakPolarHBondContact CE1-OG 3.49Å; F8-S12 WeakPolarHBondContact O-CB 2.93Å; F8-S12 PolarHBondContact O-N 2.82Å; F8-S12 VanDerWaalsContact O-N 3.09Å; F8-S12 PolarHBondContact O-OG 3.12Å |
| 9 | F | 40.8 | Very low | 41.3 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.4 | -27 | 179.1 | -117.1 | -83.9 | 0 | 0 | 0 | 113.7 | K6 C7 | K6-F9 PolarHBondContact O-N 2.78Å; C7-F9 PolarHBondContact O-N 2.88Å |
| 10 | F | 40.6 | Very low | 41.2 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -79.3 | -46.1 | 179.7 | -142.1 | -84.8 | 0 | 0 | 0 | 111.8 | C7 F8 S12 K13 V106 | C7-F10 PolarHBondContact O-N 3.45Å; F8-F10 VanDerWaalsContact C-N 3.27Å; F8-F10 PolarHBondContact O-N 3.1Å; F10-S12 VanDerWaalsContact C-N 3.29Å; F10-S12 PolarHBondContact O-N 2.86Å; F10-K13 PolarHBondContact O-N 3.22Å; F10-V106 VanDerWaalsContact CE1-C 3.5Å; F10-V106 WeakPolarHBondContact CE1-OXT 3.49Å; F10-V106 VanDerWaalsContact CE2-C 3.48Å; F10-V106 WeakPolarHBondContact CZ-OXT 3.42Å |
| 11 | V | 40.3 | Very low | 41.2 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 69% | 0.685 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -62.6 | -36.7 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | K13 | V11-K13 PolarHBondContact O-N 3.46Å |
| 12 | S | 40.4 | Very low | 41.7 | Very low | 60 Ų | 60 | 120.1 Ų | 120.1 | 42% | 0.42 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -65.8 | -19.8 | -176.8 | -60.4 | 0 | 0 | 0 | 0 | 114.5 | F8 F10 | F8-S12 VanDerWaalsContact CD1-OG 3.28Å; F8-S12 WeakPolarHBondContact CD1-OG 3.41Å; F8-S12 WeakPolarHBondContact CE1-OG 3.49Å; F8-S12 WeakPolarHBondContact O-CB 2.93Å; F8-S12 PolarHBondContact O-N 2.82Å; F8-S12 VanDerWaalsContact O-N 3.09Å; F8-S12 PolarHBondContact O-OG 3.12Å; F10-S12 VanDerWaalsContact C-N 3.29Å; F10-S12 PolarHBondContact O-N 2.86Å |
| 13 | K | 44.2 | Very low | 42.4 | Very low | 170 Ų | 170 | 122 Ų | 122 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -90.2 | -1.7 | -171.2 | -116.2 | -168.8 | 177.1 | -167.8 | 0 | 115.6 | F10 V11 | F10-K13 PolarHBondContact O-N 3.22Å; V11-K13 PolarHBondContact O-N 3.46Å |
| 14 | S | 46.8 | Very low | 42.7 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -80.8 | -14.4 | -178.6 | -53 | 0 | 0 | 0 | 0 | 115 | ||
| 15 | S | 42.7 | Very low | 42.7 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 84% | 0.839 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -119.2 | 5.7 | -166 | -163.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 16 | S | 39.6 | Very low | 43.5 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -135.4 | 128 | 173.4 | 54.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 17 | G | 35 | Very low | 44.3 | Very low | 73 Ų | 73 | 117.5 Ų | 117.5 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | trans | -61.8 | 166.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 18 | M | 37.8 | Very low | 45 | Very low | 187 Ų | 187 | 122.2 Ų | 122.2 | 92% | 0.921 | 70% | 0.702 | S | S | * | * | trans | 152.7 | 60.8 | -163.3 | 70.1 | 158.5 | 66.4 | 0 | 0 | 110.1 | S20 | M18-S20 PolarHBondContact O-N 2.84Š| ||
| 19 | R | 50.2 | Low | 46.4 | Very low | 255 Ų | 255 | 118.9 Ų | 118.9 | 96% | 0.962 | 70% | 0.697 | S | S | * | * | trans | -60.8 | 101.7 | 167.6 | -82 | 180 | 166.9 | -175.3 | -4 | 110.1 | ||||
| 20 | S | 38.6 | Very low | 47.7 | Very low | 99 Ų | 99 | 116.1 Ų | 116.1 | 69% | 0.692 | 69% | 0.689 | S | S | * | * | trans | -148.6 | 85.8 | 156.3 | 47.8 | 0 | 0 | 0 | 0 | 109.8 | M18 S22 | M18-S20 PolarHBondContact O-N 2.84Å; S20-S22 PolarHBondContact O-N 3.27Å | ||
| 21 | T | 41.9 | Very low | 49.3 | Very low | 142 Ų | 142 | 113 Ų | 113 | 87% | 0.871 | 68% | 0.678 | S | S | * | * | trans | -72.5 | 73.7 | 172.2 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | S23 | T21-S23 PolarHBondContact O-N 3.37Å; T21-S23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | S | 47 | Very low | 50.9 | Low | 92 Ų | 92 | 110.1 Ų | 110.1 | 64% | 0.643 | 67% | 0.666 | S | S | * | * | trans | -72.9 | 98.5 | 164.8 | 58.5 | 0 | 0 | 0 | 0 | 108.5 | S20 S24 | S20-S22 PolarHBondContact O-N 3.27Å; S22-S24 PolarHBondContact O-N 2.89Å; S22-S24 PolarHBondContact O-OG 3.48Å | ||
| 23 | S | 48.4 | Very low | 52.7 | Low | 121 Ų | 121 | 113.4 Ų | 113.4 | 85% | 0.846 | 67% | 0.67 | S | S | * | * | trans | -71.1 | 23.8 | 175.1 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | T21 | T21-S23 PolarHBondContact O-N 3.37Å; T21-S23 VanDerWaalsContact O-N 3.13Å | ||
| 24 | S | 47.6 | Very low | 54 | Low | 83 Ų | 83 | 110.7 Ų | 110.7 | 58% | 0.58 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 123.6 | 167.1 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | S22 | S22-S24 PolarHBondContact O-N 2.89Å; S22-S24 PolarHBondContact O-OG 3.48Å |
| 25 | P | 47.9 | Very low | 55.7 | Low | 112 Ų | 112 | 111.3 Ų | 111.3 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 145.6 | 174.4 | 24.3 | -33.3 | 0 | 0 | 0 | 109.5 | S27 | P25-S27 PolarHBondContact O-N 3.5Š|
| 26 | P | 56.6 | Low | 57.3 | Low | 82 Ų | 82 | 110 Ų | 110 | 53% | 0.532 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -53.8 | 137.6 | 178.1 | 23.4 | -33.5 | 0 | 0 | 0 | 109.3 | N30 | P26-N30 HydrophobicContact CB-CB 3.95Š|
| 27 | S | 61.9 | Low | 59.1 | Low | 56 Ų | 56 | 107.1 Ų | 107.1 | 39% | 0.392 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -49.6 | 147.7 | -179.2 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | P25 S29 N30 L31 | P25-S27 PolarHBondContact O-N 3.5Å; S27-S29 CarbonylContact O-C 3.57Å; S27-S29 PolarHBondContact O-N 3.49Å; S27-S29 PolarHBondContact OG-OG 3.08Å; S27-N30 WeakPolarHBondContact O-CA 3.26Å; S27-N30 WeakPolarHBondContact O-CB 3.2Å; S27-N30 PolarHBondContact O-N 3.22Å; S27-N30 VanDerWaalsContact OG-CG 3.28Å; S27-N30 PolarHBondContact OG-N 2.9Å; S27-N30 PolarHBondContact OG-ND2 3.07Å; S27-L31 PolarHBondContact O-N 2.66Å |
| 28 | M | 55.4 | Low | 61 | Low | 164 Ų | 164 | 108.9 Ų | 108.9 | 81% | 0.808 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -47.6 | -34.3 | 178.6 | -77.2 | -78.8 | -161.4 | 0 | 0 | 112.6 | A32 | M28-A32 VanDerWaalsContact O-CB 3.25Å; M28-A32 WeakPolarHBondContact O-CB 3.4Å; M28-A32 PolarHBondContact O-N 3.31Å |
| 29 | S | 70.3 | Confident | 62.8 | Low | 78 Ų | 78 | 104.1 Ų | 104.1 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.9 | -42.6 | 172.5 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | S27 Y33 | S27-S29 CarbonylContact O-C 3.57Å; S27-S29 PolarHBondContact O-N 3.49Å; S27-S29 PolarHBondContact OG-OG 3.08Å; S29-Y33 WeakPolarHBondContact O-CB 3.38Å; S29-Y33 PolarHBondContact O-N 3.4Å |
| 30 | N | 68.9 | Low | 64.2 | Low | 97 Ų | 97 | 96.7 Ų | 96.7 | 52% | 0.519 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70.5 | -38.8 | 175.9 | -71.4 | -6.1 | 0 | 0 | 0 | 111.1 | P26 S27 Y33 W34 | P26-N30 HydrophobicContact CB-CB 3.95Å; S27-N30 WeakPolarHBondContact O-CA 3.26Å; S27-N30 WeakPolarHBondContact O-CB 3.2Å; S27-N30 PolarHBondContact O-N 3.22Å; S27-N30 VanDerWaalsContact OG-CG 3.28Å; S27-N30 PolarHBondContact OG-N 2.9Å; S27-N30 PolarHBondContact OG-ND2 3.07Å; N30-Y33 PolarHBondContact O-N 2.89Å; N30-W34 WeakPolarHBondContact O-CB 3.33Å; N30-W34 PolarHBondContact O-N 3.13Å |
| 31 | L | 73.1 | Confident | 65.9 | Low | 65 Ų | 65 | 93.5 Ų | 93.5 | 34% | 0.34 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 174.4 | -174.7 | 65.7 | 0 | 0 | 0 | 111.3 | S27 Y33 W34 Y35 | S27-L31 PolarHBondContact O-N 2.66Å; L31-Y33 PolarHBondContact O-N 3.42Å; L31-W34 PolarHBondContact O-N 3.22Å; L31-Y35 HydrophobicContact CD1-CD2 4.14Å; L31-Y35 HydrophobicContact CD1-CE2 3.69Å; L31-Y35 HydrophobicContact CD2-CE2 4.14Å; L31-Y35 HydrophobicContact CG-CD2 3.91Å; L31-Y35 HydrophobicContact CG-CE2 3.67Å; L31-Y35 VanDerWaalsContact O-CD2 3.27Å; L31-Y35 WeakPolarHBondContact O-CD2 3.23Å; L31-Y35 PolarHBondContact O-N 3.48Å |
| 32 | A | 75.4 | Confident | 67.6 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | M28 W34 Y35 V36 | M28-A32 VanDerWaalsContact O-CB 3.25Å; M28-A32 WeakPolarHBondContact O-CB 3.4Å; M28-A32 PolarHBondContact O-N 3.31Å; A32-W34 VanDerWaalsContact C-N 3.32Å; A32-W34 PolarHBondContact O-N 3.41Å; A32-Y35 PolarHBondContact O-N 3.13Å; A32-V36 WeakPolarHBondContact O-CB 3.22Å; A32-V36 VanDerWaalsContact O-CG2 3.3Å; A32-V36 WeakPolarHBondContact O-CG2 3.29Å; A32-V36 PolarHBondContact O-N 3.47Å |
| 33 | Y | 76.6 | Confident | 68.9 | Low | 130 Ų | 130 | 95.4 Ų | 95.4 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 174.3 | -175.9 | -95.4 | 0 | 0 | 0 | 111.9 | S29 N30 L31 V36 A37 | S29-Y33 WeakPolarHBondContact O-CB 3.38Å; S29-Y33 PolarHBondContact O-N 3.4Å; N30-Y33 PolarHBondContact O-N 2.89Å; L31-Y33 PolarHBondContact O-N 3.42Å; Y33-V36 PolarHBondContact O-N 2.89Å; Y33-A37 VanDerWaalsContact O-CB 3.25Å; Y33-A37 WeakPolarHBondContact O-CB 3.26Å; Y33-A37 PolarHBondContact O-N 3.4Å |
| 34 | W | 73.2 | Confident | 70.2 | Confident | 112 Ų | 112 | 94 Ų | 94 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 176.8 | -168.9 | 88.9 | 0 | 0 | 0 | 112.4 | N30 L31 A32 A37 K38 C105 | N30-W34 WeakPolarHBondContact O-CB 3.33Å; N30-W34 PolarHBondContact O-N 3.13Å; L31-W34 PolarHBondContact O-N 3.22Å; A32-W34 VanDerWaalsContact C-N 3.32Å; A32-W34 PolarHBondContact O-N 3.41Å; W34-A37 PolarHBondContact O-N 3.4Å; W34-K38 HydrophobicContact CH2-CD 3.91Å; W34-K38 HydrophobicContact CZ3-CD 3.85Å; W34-K38 WeakPolarHBondContact O-CB 3.25Å; W34-K38 PolarHBondContact O-N 3.44Å; W34-C105 PolarHBondContact NE1-O 2.88Å |
| 35 | Y | 80.6 | Confident | 71.2 | Confident | 127 Ų | 127 | 91.5 Ų | 91.5 | 50% | 0.498 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 174.3 | -82.3 | -64.9 | 0 | 0 | 0 | 112.7 | L31 A32 K38 I39 | L31-Y35 HydrophobicContact CD1-CD2 4.14Å; L31-Y35 HydrophobicContact CD1-CE2 3.69Å; L31-Y35 HydrophobicContact CD2-CE2 4.14Å; L31-Y35 HydrophobicContact CG-CD2 3.91Å; L31-Y35 HydrophobicContact CG-CE2 3.67Å; L31-Y35 VanDerWaalsContact O-CD2 3.27Å; L31-Y35 WeakPolarHBondContact O-CD2 3.23Å; L31-Y35 PolarHBondContact O-N 3.48Å; A32-Y35 PolarHBondContact O-N 3.13Å; Y35-K38 PolarHBondContact O-N 2.9Å; Y35-I39 VanDerWaalsContact O-CG1 3.3Å; Y35-I39 WeakPolarHBondContact O-CG1 3.46Å; Y35-I39 PolarHBondContact O-N 3.49Å |
| 36 | V | 77.6 | Confident | 72.6 | Confident | 93 Ų | 93 | 93.5 Ų | 93.5 | 56% | 0.564 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 176.7 | 171 | 0 | 0 | 0 | 0 | 110.7 | A32 Y33 K38 I39 L40 | A32-V36 WeakPolarHBondContact O-CB 3.22Å; A32-V36 VanDerWaalsContact O-CG2 3.3Å; A32-V36 WeakPolarHBondContact O-CG2 3.29Å; A32-V36 PolarHBondContact O-N 3.47Å; Y33-V36 PolarHBondContact O-N 2.89Å; V36-K38 PolarHBondContact O-N 3.16Å; V36-I39 PolarHBondContact O-N 3.27Å; V36-L40 WeakPolarHBondContact O-CB 3.5Å; V36-L40 PolarHBondContact O-N 2.89Å |
| 37 | A | 76.8 | Confident | 73.4 | Confident | 30 Ų | 30 | 94.4 Ų | 94.4 | 25% | 0.248 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y33 W34 L40 S41 | Y33-A37 VanDerWaalsContact O-CB 3.25Å; Y33-A37 WeakPolarHBondContact O-CB 3.26Å; Y33-A37 PolarHBondContact O-N 3.4Å; W34-A37 PolarHBondContact O-N 3.4Å; A37-L40 PolarHBondContact O-N 2.99Å; A37-S41 WeakPolarHBondContact O-CB 3.43Å; A37-S41 PolarHBondContact O-N 3.09Å; A37-S41 PolarHBondContact O-OG 2.98Å |
| 38 | K | 75.1 | Confident | 73.9 | Confident | 109 Ų | 109 | 93.4 Ų | 93.4 | 47% | 0.474 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 177 | -175.9 | 176.5 | 179.6 | 179 | 0 | 112.9 | W34 Y35 V36 L40 S41 E42 | W34-K38 HydrophobicContact CH2-CD 3.91Å; W34-K38 HydrophobicContact CZ3-CD 3.85Å; W34-K38 WeakPolarHBondContact O-CB 3.25Å; W34-K38 PolarHBondContact O-N 3.44Å; Y35-K38 PolarHBondContact O-N 2.9Å; V36-K38 PolarHBondContact O-N 3.16Å; K38-L40 VanDerWaalsContact C-N 3.32Å; K38-S41 PolarHBondContact O-OG 2.97Å; K38-S41 VanDerWaalsContact O-OG 3.04Å; K38-E42 WeakPolarHBondContact O-CB 3.26Å; K38-E42 PolarHBondContact O-N 3.45Å |
| 39 | I | 76.5 | Confident | 74.7 | Confident | 88 Ų | 88 | 87.7 Ų | 87.7 | 45% | 0.451 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 176.7 | -67.2 | 164.6 | 0 | 0 | 0 | 110.5 | Y35 V36 R43 | Y35-I39 VanDerWaalsContact O-CG1 3.3Å; Y35-I39 WeakPolarHBondContact O-CG1 3.46Å; Y35-I39 PolarHBondContact O-N 3.49Å; V36-I39 PolarHBondContact O-N 3.27Å; I39-R43 VanDerWaalsContact O-CG 3.3Å; I39-R43 WeakPolarHBondContact O-CG 3.38Å; I39-R43 PolarHBondContact O-N 3.33Å; I39-R43 VanDerWaalsContact O-N 3.16Å |
| 40 | L | 78.8 | Confident | 75 | Confident | 99 Ų | 99 | 89.1 Ų | 89.1 | 52% | 0.518 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.7 | -43.3 | 177.9 | -175.6 | 62.9 | 0 | 0 | 0 | 111.7 | V36 A37 K38 R43 I44 | V36-L40 WeakPolarHBondContact O-CB 3.5Å; V36-L40 PolarHBondContact O-N 2.89Å; A37-L40 PolarHBondContact O-N 2.99Å; K38-L40 VanDerWaalsContact C-N 3.32Å; L40-R43 PolarHBondContact O-N 2.93Å; L40-I44 HydrophobicContact CD1-CD1 4.16Å; L40-I44 HydrophobicContact CD1-CG1 4.45Å; L40-I44 HydrophobicContact CG-CD1 3.89Å; L40-I44 VanDerWaalsContact O-CG1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 3.47Å |
| 41 | S | 73.8 | Confident | 75.3 | Confident | 32 Ų | 32 | 89.5 Ų | 89.5 | 22% | 0.224 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 177.4 | 64.4 | 0 | 0 | 0 | 0 | 111.9 | A37 K38 R43 I44 L45 | A37-S41 WeakPolarHBondContact O-CB 3.43Å; A37-S41 PolarHBondContact O-N 3.09Å; A37-S41 PolarHBondContact O-OG 2.98Å; K38-S41 PolarHBondContact O-OG 2.97Å; K38-S41 VanDerWaalsContact O-OG 3.04Å; S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 3.26Å; S41-I44 PolarHBondContact O-N 3.05Å; S41-L45 WeakPolarHBondContact O-CB 3.49Å; S41-L45 PolarHBondContact O-N 3.42Å |
| 42 | E | 77.4 | Confident | 75.1 | Confident | 101 Ų | 101 | 88.4 Ų | 88.4 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.4 | -43.1 | 173.6 | -168.8 | -167.4 | 149.3 | 0 | 0 | 111.9 | K38 R46 | K38-E42 WeakPolarHBondContact O-CB 3.26Å; K38-E42 PolarHBondContact O-N 3.45Å; E42-R46 PolarHBondContact O-N 3.42Å; E42-R46 IonicContact OE1-NH2 3.39Å; E42-R46 PolarHBondContact OE1-NH2 2.92Å |
| 43 | R | 75.8 | Confident | 75.1 | Confident | 172 Ų | 172 | 91.7 Ų | 91.7 | 65% | 0.649 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.1 | -45.6 | 177.9 | -74.7 | 174 | 178.9 | -120.6 | 0.9 | 112.5 | I39 L40 S41 L45 R46 I47 | I39-R43 VanDerWaalsContact O-CG 3.3Å; I39-R43 WeakPolarHBondContact O-CG 3.38Å; I39-R43 PolarHBondContact O-N 3.33Å; I39-R43 VanDerWaalsContact O-N 3.16Å; L40-R43 PolarHBondContact O-N 2.93Å; S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 3.26Å; R43-L45 VanDerWaalsContact C-N 3.33Å; R43-R46 PolarHBondContact O-N 2.78Å; R43-I47 WeakPolarHBondContact O-CG1 3.45Å; R43-I47 PolarHBondContact O-N 3.01Å |
| 44 | I | 74.1 | Confident | 74.8 | Confident | 93 Ų | 93 | 89.4 Ų | 89.4 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 176.6 | -69.4 | 167.9 | 0 | 0 | 0 | 109.7 | L40 S41 R46 I47 S48 | L40-I44 HydrophobicContact CD1-CD1 4.16Å; L40-I44 HydrophobicContact CD1-CG1 4.45Å; L40-I44 HydrophobicContact CG-CD1 3.89Å; L40-I44 VanDerWaalsContact O-CG1 3.3Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 3.47Å; S41-I44 PolarHBondContact O-N 3.05Å; I44-R46 PolarHBondContact O-N 3.32Å; I44-I47 PolarHBondContact O-N 3.32Å; I44-I47 VanDerWaalsContact O-N 3.15Å; I44-S48 PolarHBondContact O-N 3Å; I44-S48 PolarHBondContact O-OG 2.82Å; I44-S48 VanDerWaalsContact O-OG 3.06Å |
| 45 | L | 69.1 | Low | 74.7 | Confident | 30 Ų | 30 | 89.9 Ų | 89.9 | 16% | 0.157 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 178.2 | 178.8 | 136.8 | 0 | 0 | 0 | 112.3 | S41 R43 S48 A49 Y94 I97 Y98 | S41-L45 WeakPolarHBondContact O-CB 3.49Å; S41-L45 PolarHBondContact O-N 3.42Å; R43-L45 VanDerWaalsContact C-N 3.33Å; L45-S48 PolarHBondContact O-N 3.34Å; L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 3.2Å; L45-Y94 HydrophobicContact CD1-CE2 4.25Å; L45-Y94 HydrophobicContact CD2-CE2 3.67Å; L45-Y94 HydrophobicContact CG-CE2 4.05Å; L45-I97 HydrophobicContact CD1-CG2 4.46Å; L45-Y98 HydrophobicContact CD1-CD2 4.25Å |
| 46 | R | 77.2 | Confident | 74.1 | Confident | 154 Ų | 154 | 85.9 Ų | 85.9 | 58% | 0.581 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 172.9 | -171.3 | 176.1 | -63.2 | 177.6 | 6 | 112.3 | E42 R43 I44 A49 L50 | E42-R46 PolarHBondContact O-N 3.42Å; E42-R46 IonicContact OE1-NH2 3.39Å; E42-R46 PolarHBondContact OE1-NH2 2.92Å; R43-R46 PolarHBondContact O-N 2.78Å; I44-R46 PolarHBondContact O-N 3.32Å; R46-A49 PolarHBondContact O-N 3.45Å; R46-L50 HydrophobicContact CG-CD1 4.45Å; R46-L50 WeakPolarHBondContact O-CG 3.43Å; R46-L50 PolarHBondContact O-N 3.39Å; R46-L50 VanDerWaalsContact O-N 3.12Å |
| 47 | I | 74.2 | Confident | 73.8 | Confident | 100 Ų | 100 | 85.3 Ų | 85.3 | 51% | 0.513 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 176.6 | -67 | 165.5 | 0 | 0 | 0 | 110.6 | R43 I44 A49 L50 L51 | R43-I47 WeakPolarHBondContact O-CG1 3.45Å; R43-I47 PolarHBondContact O-N 3.01Å; I44-I47 PolarHBondContact O-N 3.32Å; I44-I47 VanDerWaalsContact O-N 3.15Å; I47-A49 PolarHBondContact O-N 3.1Å; I47-L50 PolarHBondContact O-N 3.46Å; I47-L51 HydrophobicContact CG2-CD1 3.91Å; I47-L51 HydrophobicContact CG2-CG 4.33Å; I47-L51 WeakPolarHBondContact O-CB 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.43Å; I47-L51 PolarHBondContact O-N 3.12Å |
| 48 | S | 71.4 | Confident | 73.1 | Confident | 35 Ų | 35 | 85.9 Ų | 85.9 | 25% | 0.245 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 176.3 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | I44 L45 L50 L51 M52 | I44-S48 PolarHBondContact O-N 3Å; I44-S48 PolarHBondContact O-OG 2.82Å; I44-S48 VanDerWaalsContact O-OG 3.06Å; L45-S48 PolarHBondContact O-N 3.34Å; S48-L50 PolarHBondContact O-N 3.29Å; S48-L51 PolarHBondContact O-N 3.49Å; S48-M52 WeakPolarHBondContact O-CB 3.4Å; S48-M52 VanDerWaalsContact O-CG 3.28Å; S48-M52 WeakPolarHBondContact O-CG 3.5Å; S48-M52 PolarHBondContact O-N 3.48Å |
| 49 | A | 72 | Confident | 72.7 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 37% | 0.372 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L45 R46 I47 M52 Y53 | L45-A49 WeakPolarHBondContact O-CB 3.44Å; L45-A49 PolarHBondContact O-N 3.2Å; R46-A49 PolarHBondContact O-N 3.45Å; I47-A49 PolarHBondContact O-N 3.1Å; A49-M52 PolarHBondContact O-N 3.42Å; A49-Y53 PolarHBondContact O-N 3.03Å |
| 50 | L | 77.6 | Confident | 71.8 | Confident | 107 Ų | 107 | 85.1 Ų | 85.1 | 56% | 0.56 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 175.6 | -70.3 | 170.5 | 0 | 0 | 0 | 112.1 | R46 I47 S48 M52 Y53 T54 | R46-L50 HydrophobicContact CG-CD1 4.45Å; R46-L50 WeakPolarHBondContact O-CG 3.43Å; R46-L50 PolarHBondContact O-N 3.39Å; R46-L50 VanDerWaalsContact O-N 3.12Å; I47-L50 PolarHBondContact O-N 3.46Å; S48-L50 PolarHBondContact O-N 3.29Å; L50-M52 VanDerWaalsContact C-N 3.33Å; L50-M52 PolarHBondContact O-N 2.82Å; L50-Y53 WeakPolarHBondContact O-CB 3.36Å; L50-Y53 PolarHBondContact O-N 3.06Å; L50-T54 PolarHBondContact O-N 3.5Å; L50-T54 PolarHBondContact O-OG1 2.95Å |
| 51 | L | 74.7 | Confident | 71.2 | Confident | 105 Ų | 105 | 86.2 Ų | 86.2 | 55% | 0.55 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.6 | -75.1 | 170.6 | 0 | 0 | 0 | 111.8 | I47 S48 T54 L55 | I47-L51 HydrophobicContact CG2-CD1 3.91Å; I47-L51 HydrophobicContact CG2-CG 4.33Å; I47-L51 WeakPolarHBondContact O-CB 3.28Å; I47-L51 WeakPolarHBondContact O-CG 3.43Å; I47-L51 PolarHBondContact O-N 3.12Å; S48-L51 PolarHBondContact O-N 3.49Å; L51-T54 PolarHBondContact O-N 2.98Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.13Å; L51-L55 PolarHBondContact O-N 3.36Å |
| 52 | M | 70.1 | Confident | 70.6 | Confident | 43 Ų | 43 | 95.2 Ų | 95.2 | 21% | 0.212 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.4 | -70.6 | -173.2 | 82.6 | 0 | 0 | 112.4 | S48 A49 L50 L55 M56 N90 I93 | S48-M52 WeakPolarHBondContact O-CB 3.4Å; S48-M52 VanDerWaalsContact O-CG 3.28Å; S48-M52 WeakPolarHBondContact O-CG 3.5Å; S48-M52 PolarHBondContact O-N 3.48Å; A49-M52 PolarHBondContact O-N 3.42Å; L50-M52 VanDerWaalsContact C-N 3.33Å; L50-M52 PolarHBondContact O-N 2.82Å; M52-L55 PolarHBondContact O-N 3.39Å; M52-M56 WeakPolarHBondContact O-CB 3.36Å; M52-M56 PolarHBondContact O-N 3.15Å; M52-N90 WeakPolarHBondContact CB-OD1 3.38Å; M52-N90 VanDerWaalsContact CE-OD1 3.26Å; M52-N90 WeakPolarHBondContact CE-OD1 3.01Å; M52-I93 HydrophobicContact CE-CB 3.78Å; M52-I93 HydrophobicContact CE-CD1 3.51Å; M52-I93 HydrophobicContact CE-CG1 4.23Å; M52-I93 HydrophobicContact CE-CG2 3.62Å; M52-I93 HydrophobicContact SD-CB 4.32Å; M52-I93 HydrophobicContact SD-CG2 3.67Å |
| 53 | Y | 74 | Confident | 69.5 | Low | 121 Ų | 121 | 95 Ų | 95 | 48% | 0.475 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 172.5 | 178.9 | -93.5 | 0 | 0 | 0 | 111.9 | A49 L50 L55 M56 E57 | A49-Y53 PolarHBondContact O-N 3.03Å; L50-Y53 WeakPolarHBondContact O-CB 3.36Å; L50-Y53 PolarHBondContact O-N 3.06Å; Y53-L55 VanDerWaalsContact C-N 3.33Å; Y53-L55 PolarHBondContact O-N 3Å; Y53-M56 HydrophobicContact CD2-CE 3.73Å; Y53-M56 HydrophobicContact CE2-CE 3.83Å; Y53-M56 WeakPolarHBondContact O-CB 3.48Å; Y53-M56 PolarHBondContact O-N 3.46Å; Y53-M56 VanDerWaalsContact O-N 3.13Å; Y53-E57 HydrophobicContact CD1-CG 4.35Å; Y53-E57 HydrophobicContact CE1-CG 3.86Å; Y53-E57 WeakPolarHBondContact CE1-OE1 3.49Å; Y53-E57 WeakPolarHBondContact CE1-OE2 3.44Å; Y53-E57 PolarHBondContact O-N 3.36Å; Y53-E57 PolarHBondContact OH-OE1 2.94Å; Y53-E57 VanDerWaalsContact OH-OE1 3.13Å |
| 54 | T | 70.8 | Confident | 68.3 | Low | 82 Ų | 82 | 90 Ų | 90 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 177.1 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | L50 L51 E57 A58 | L50-T54 PolarHBondContact O-N 3.5Å; L50-T54 PolarHBondContact O-OG1 2.95Å; L51-T54 PolarHBondContact O-N 2.98Å; T54-E57 PolarHBondContact O-N 3.38Å; T54-A58 VanDerWaalsContact O-CB 3.26Å; T54-A58 WeakPolarHBondContact O-CB 3.44Å; T54-A58 PolarHBondContact O-N 2.96Å |
| 55 | L | 70.3 | Confident | 66.9 | Low | 121 Ų | 121 | 90.6 Ų | 90.6 | 63% | 0.634 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.2 | -36.4 | 172.7 | -73.6 | 171.7 | 0 | 0 | 0 | 112 | L51 M52 Y53 F59 | L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 3.13Å; L51-L55 PolarHBondContact O-N 3.36Å; M52-L55 PolarHBondContact O-N 3.39Å; Y53-L55 VanDerWaalsContact C-N 3.33Å; Y53-L55 PolarHBondContact O-N 3Å; L55-F59 VanDerWaalsContact O-CB 3.25Å; L55-F59 WeakPolarHBondContact O-CB 3.37Å; L55-F59 PolarHBondContact O-N 3.47Å |
| 56 | M | 69.7 | Low | 65.9 | Low | 43 Ų | 43 | 94.2 Ų | 94.2 | 21% | 0.212 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 171.9 | 176.1 | -177.3 | 77.8 | 0 | 0 | 111.1 | M52 Y53 A58 F59 L60 I86 | M52-M56 WeakPolarHBondContact O-CB 3.36Å; M52-M56 PolarHBondContact O-N 3.15Å; Y53-M56 HydrophobicContact CD2-CE 3.73Å; Y53-M56 HydrophobicContact CE2-CE 3.83Å; Y53-M56 WeakPolarHBondContact O-CB 3.48Å; Y53-M56 PolarHBondContact O-N 3.46Å; Y53-M56 VanDerWaalsContact O-N 3.13Å; M56-A58 PolarHBondContact O-N 3.26Å; M56-F59 PolarHBondContact O-N 3.46Å; M56-L60 HydrophobicContact CG-CD1 3.95Å; M56-L60 HydrophobicContact CG-CG 4.42Å; M56-L60 WeakPolarHBondContact O-CB 3.36Å; M56-L60 VanDerWaalsContact O-CG 3.29Å; M56-L60 WeakPolarHBondContact O-CG 3.36Å; M56-L60 PolarHBondContact O-N 2.87Å; M56-I86 HydrophobicContact CB-CG2 4.41Å; M56-I86 HydrophobicContact CG-CG2 3.81Å; M56-I86 HydrophobicContact SD-CG2 3.9Å |
| 57 | E | 70.9 | Confident | 64.3 | Low | 81 Ų | 81 | 92.9 Ų | 92.9 | 38% | 0.379 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 174.9 | -71.9 | -170.1 | 131.9 | 0 | 0 | 111.6 | Y53 T54 F59 L60 I61 | Y53-E57 HydrophobicContact CD1-CG 4.35Å; Y53-E57 HydrophobicContact CE1-CG 3.86Å; Y53-E57 WeakPolarHBondContact CE1-OE1 3.49Å; Y53-E57 WeakPolarHBondContact CE1-OE2 3.44Å; Y53-E57 PolarHBondContact O-N 3.36Å; Y53-E57 PolarHBondContact OH-OE1 2.94Å; Y53-E57 VanDerWaalsContact OH-OE1 3.13Å; T54-E57 PolarHBondContact O-N 3.38Å; E57-F59 VanDerWaalsContact C-N 3.3Å; E57-F59 PolarHBondContact O-N 3.34Å; E57-L60 PolarHBondContact O-N 3.42Å; E57-I61 WeakPolarHBondContact O-CB 3.37Å; E57-I61 WeakPolarHBondContact O-CD1 3.28Å; E57-I61 WeakPolarHBondContact O-CG1 3.26Å; E57-I61 PolarHBondContact O-N 3.37Å |
| 58 | A | 62 | Low | 62.7 | Low | 42 Ų | 42 | 92 Ų | 92 | 35% | 0.347 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -35.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T54 M56 R62 | T54-A58 VanDerWaalsContact O-CB 3.26Å; T54-A58 WeakPolarHBondContact O-CB 3.44Å; T54-A58 PolarHBondContact O-N 2.96Å; M56-A58 PolarHBondContact O-N 3.26Å; A58-R62 VanDerWaalsContact O-CB 3.31Å; A58-R62 WeakPolarHBondContact O-CB 3.42Å; A58-R62 VanDerWaalsContact O-CG 3.31Å; A58-R62 WeakPolarHBondContact O-CG 3.47Å; A58-R62 PolarHBondContact O-N 3.41Å |
| 59 | F | 65.5 | Low | 61.5 | Low | 119 Ų | 119 | 99.8 Ų | 99.8 | 52% | 0.522 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.6 | -41 | 174.2 | -175.8 | -91.1 | 0 | 0 | 0 | 111.9 | L55 M56 E57 R62 N63 I86 | L55-F59 VanDerWaalsContact O-CB 3.25Å; L55-F59 WeakPolarHBondContact O-CB 3.37Å; L55-F59 PolarHBondContact O-N 3.47Å; M56-F59 PolarHBondContact O-N 3.46Å; E57-F59 VanDerWaalsContact C-N 3.3Å; E57-F59 PolarHBondContact O-N 3.34Å; F59-R62 PolarHBondContact O-N 3.32Å; F59-N63 VanDerWaalsContact CD2-ND2 3.33Å; F59-N63 WeakPolarHBondContact CD2-ND2 3.49Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.17Å; F59-N63 WeakPolarHBondContact CE2-ND2 3.34Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.37Å; F59-N63 WeakPolarHBondContact O-CB 3.3Å; F59-N63 PolarHBondContact O-N 3.16Å; F59-N63 PolarHBondContact O-ND2 2.98Å; F59-I86 HydrophobicContact CD1-CD1 4.03Å; F59-I86 HydrophobicContact CE1-CD1 4.05Å |
| 60 | L | 59.4 | Low | 60 | Low | 63 Ų | 63 | 104.3 Ų | 104.3 | 33% | 0.33 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -48 | 174.3 | -73 | 169.7 | 0 | 0 | 0 | 110.6 | M56 E57 R62 N63 S64 R83 | M56-L60 HydrophobicContact CG-CD1 3.95Å; M56-L60 HydrophobicContact CG-CG 4.42Å; M56-L60 WeakPolarHBondContact O-CB 3.36Å; M56-L60 VanDerWaalsContact O-CG 3.29Å; M56-L60 WeakPolarHBondContact O-CG 3.36Å; M56-L60 PolarHBondContact O-N 2.87Å; E57-L60 PolarHBondContact O-N 3.42Å; L60-R62 PolarHBondContact O-N 2.99Å; L60-N63 CarbonylContact O-C 3.46Å; L60-N63 PolarHBondContact O-N 3.34Å; L60-S64 VanDerWaalsContact O-CB 3.26Å; L60-S64 WeakPolarHBondContact O-CB 3.3Å; L60-S64 PolarHBondContact O-N 3.39Å; L60-S64 PolarHBondContact O-OG 2.9Å; L60-S64 VanDerWaalsContact O-OG 3.12Å; L60-R83 HydrophobicContact CD2-CG 4.11Å |
| 61 | I | 65.7 | Low | 58.6 | Low | 122 Ų | 122 | 105.4 Ų | 105.4 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.9 | -41.9 | 178 | -67.7 | 162.7 | 0 | 0 | 0 | 111.5 | E57 S64 | E57-I61 WeakPolarHBondContact O-CB 3.37Å; E57-I61 WeakPolarHBondContact O-CD1 3.28Å; E57-I61 WeakPolarHBondContact O-CG1 3.26Å; E57-I61 PolarHBondContact O-N 3.37Å; I61-S64 WeakPolarHBondContact CA-OG 3.33Å; I61-S64 PolarHBondContact O-OG 2.94Å; I61-S64 VanDerWaalsContact O-OG 3.1Å |
| 62 | R | 59.7 | Low | 57.5 | Low | 221 Ų | 221 | 105.3 Ų | 105.3 | 83% | 0.834 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.5 | -27.7 | 179 | -79.1 | -179.2 | 169.1 | -164.5 | -3.4 | 113.8 | A58 F59 L60 | A58-R62 VanDerWaalsContact O-CB 3.31Å; A58-R62 WeakPolarHBondContact O-CB 3.42Å; A58-R62 VanDerWaalsContact O-CG 3.31Å; A58-R62 WeakPolarHBondContact O-CG 3.47Å; A58-R62 PolarHBondContact O-N 3.41Å; F59-R62 PolarHBondContact O-N 3.32Å; L60-R62 PolarHBondContact O-N 2.99Å |
| 63 | N | 55.1 | Low | 56.6 | Low | 97 Ų | 97 | 109.2 Ų | 109.2 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -106.2 | 7.2 | 179.1 | -62 | -66.3 | 0 | 0 | 0 | 113.7 | F59 L60 P65 | F59-N63 VanDerWaalsContact CD2-ND2 3.33Å; F59-N63 WeakPolarHBondContact CD2-ND2 3.49Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.17Å; F59-N63 WeakPolarHBondContact CE2-ND2 3.34Å; F59-N63 WeakPolarHBondContact CZ-ND2 3.37Å; F59-N63 WeakPolarHBondContact O-CB 3.3Å; F59-N63 PolarHBondContact O-N 3.16Å; F59-N63 PolarHBondContact O-ND2 2.98Å; L60-N63 CarbonylContact O-C 3.46Å; L60-N63 PolarHBondContact O-N 3.34Å; N63-P65 WeakPolarHBondContact O-CD 3.33Å |
| 64 | S | 50.3 | Low | 55.4 | Low | 65 Ų | 65 | 106.5 Ų | 106.5 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | trans | -92.4 | 84.4 | 162.1 | 63.1 | 0 | 0 | 0 | 0 | 108.2 | L60 I61 S66 | L60-S64 VanDerWaalsContact O-CB 3.26Å; L60-S64 WeakPolarHBondContact O-CB 3.3Å; L60-S64 PolarHBondContact O-N 3.39Å; L60-S64 PolarHBondContact O-OG 2.9Å; L60-S64 VanDerWaalsContact O-OG 3.12Å; I61-S64 WeakPolarHBondContact CA-OG 3.33Å; I61-S64 PolarHBondContact O-OG 2.94Å; I61-S64 VanDerWaalsContact O-OG 3.1Å; S64-S66 PolarHBondContact O-N 3.4Å | ||
| 65 | P | 46 | Very low | 54.8 | Low | 107 Ų | 107 | 105.3 Ų | 105.3 | 70% | 0.695 | 61% | 0.614 | S | S | * | * | trans | -55.3 | 137.5 | 163 | 28.6 | -34.4 | 0 | 0 | 0 | 107 | N63 I67 | N63-P65 WeakPolarHBondContact O-CD 3.33Å; P65-I67 PolarHBondContact O-N 2.74Å | ||
| 66 | S | 46.9 | Very low | 54.1 | Low | 106 Ų | 106 | 106.1 Ų | 106.1 | 74% | 0.741 | 62% | 0.618 | S | S | * | * | trans | -40.8 | 116.4 | -175.3 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | S64 S68 | S64-S66 PolarHBondContact O-N 3.4Å; S66-S68 PolarHBondContact O-N 3.49Å | ||
| 67 | I | 44.5 | Very low | 53.6 | Low | 126 Ų | 126 | 112.1 Ų | 112.1 | 65% | 0.646 | 65% | 0.645 | S | S | * | * | trans | -70.6 | 77.2 | 172.3 | -57.4 | 173.4 | 0 | 0 | 0 | 107.4 | P65 | P65-I67 PolarHBondContact O-N 2.74Š| ||
| 68 | S | 39 | Very low | 52.8 | Low | 81 Ų | 81 | 110.7 Ų | 110.7 | 57% | 0.566 | 65% | 0.653 | S | S | * | * | trans | -68.8 | 135.6 | 150.8 | 59.6 | 0 | 0 | 0 | 0 | 106.6 | S66 N70 | S66-S68 PolarHBondContact O-N 3.49Å; S68-N70 PolarHBondContact O-N 3.45Å | ||
| 69 | F | 46.3 | Very low | 52.8 | Low | 198 Ų | 198 | 113.1 Ų | 113.1 | 87% | 0.868 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -72 | 31.2 | -170.3 | -85.2 | -93 | 0 | 0 | 0 | 114.7 | ||
| 70 | N | 41.5 | Very low | 52.6 | Low | 141 Ų | 141 | 113.3 Ų | 113.3 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | trans | -125 | 40.8 | -166.2 | -77.3 | 0.7 | 0 | 0 | 0 | 115 | S68 | S68-N70 PolarHBondContact O-N 3.45Š| ||
| 71 | T | 48.7 | Very low | 52.7 | Low | 129 Ų | 129 | 116.4 Ų | 116.4 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -145.5 | 91.5 | 157.2 | -29 | 0 | 0 | 0 | 0 | 113 | ||||
| 72 | A | 51.1 | Low | 52.8 | Low | 104 Ų | 104 | 112.1 Ų | 112.1 | 86% | 0.86 | 65% | 0.654 | S | S | * | * | trans | -84.2 | 109.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 73 | S | 51.3 | Low | 53.1 | Low | 124 Ų | 124 | 106.3 Ų | 106.3 | 87% | 0.867 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 179.6 | -20.2 | 149.8 | 54.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 74 | G | 49.1 | Very low | 53.9 | Low | 65 Ų | 65 | 106.1 Ų | 106.1 | 67% | 0.67 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -159.5 | 10.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 75 | G | 58.1 | Low | 54.6 | Low | 57 Ų | 57 | 107.3 Ų | 107.3 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.1 | -33 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | E79 | G75-E79 PolarHBondContact O-N 2.88Å |
| 76 | I | 56.5 | Low | 55.7 | Low | 137 Ų | 137 | 103.9 Ų | 103.9 | 70% | 0.703 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.7 | -38.5 | -161.8 | -57.4 | 174.7 | 0 | 0 | 0 | 112.7 | E79 K80 | I76-E79 PolarHBondContact O-N 3.41Å; I76-K80 PolarHBondContact O-N 3.2Å; I76-K80 VanDerWaalsContact O-N 3.08Å |
| 77 | E | 57.1 | Low | 57.1 | Low | 169 Ų | 169 | 103.2 Ų | 103.2 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.7 | -40.2 | -178.1 | -66 | -170.3 | 139.5 | 0 | 0 | 112.2 | E79 K80 F81 | E77-E79 PolarHBondContact O-N 3.5Å; E77-K80 PolarHBondContact O-N 2.73Å; E77-F81 WeakPolarHBondContact O-CB 3.33Å; E77-F81 PolarHBondContact O-N 3.34Å |
| 78 | G | 56 | Low | 58.5 | Low | 52 Ų | 52 | 101.9 Ų | 101.9 | 54% | 0.536 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.7 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K80 F81 G82 | G78-K80 VanDerWaalsContact C-N 3.34Å; G78-K80 PolarHBondContact O-N 2.89Å; G78-F81 PolarHBondContact O-N 3.38Å; G78-G82 PolarHBondContact O-N 3.23Å |
| 79 | E | 60.1 | Low | 60.3 | Low | 93 Ų | 93 | 102.6 Ų | 102.6 | 44% | 0.435 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.8 | -36 | 176.1 | -160.6 | -156.9 | 144.3 | 0 | 0 | 112.2 | G75 I76 E77 R83 | G75-E79 PolarHBondContact O-N 2.88Å; I76-E79 PolarHBondContact O-N 3.41Å; E77-E79 PolarHBondContact O-N 3.5Å; E79-R83 VanDerWaalsContact CD-NH2 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.37Å; E79-R83 PolarHBondContact O-N 2.93Å; E79-R83 PolarHBondContact O-NE 2.9Å; E79-R83 IonicContact OE1-CZ 2.98Å; E79-R83 IonicContact OE1-NE 3.82Å; E79-R83 IonicContact OE1-NH1 2.66Å; E79-R83 PolarHBondContact OE1-NH1 3.43Å; E79-R83 IonicContact OE1-NH2 3.07Å; E79-R83 PolarHBondContact OE1-NH2 2.94Å; E79-R83 IonicContact OE2-NH2 3.83Å |
| 80 | K | 63.2 | Low | 60.9 | Low | 122 Ų | 122 | 95 Ų | 95 | 53% | 0.53 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68 | -50 | 173.9 | -172.2 | -179.9 | 171.8 | -170.2 | 0 | 111.3 | I76 E77 G78 G82 R83 E84 | I76-K80 PolarHBondContact O-N 3.2Å; I76-K80 VanDerWaalsContact O-N 3.08Å; E77-K80 PolarHBondContact O-N 2.73Å; G78-K80 VanDerWaalsContact C-N 3.34Å; G78-K80 PolarHBondContact O-N 2.89Å; K80-G82 PolarHBondContact O-N 2.85Å; K80-R83 PolarHBondContact O-N 2.99Å; K80-E84 WeakPolarHBondContact CE-OE1 3.41Å; K80-E84 IonicContact NZ-OE1 3.93Å; K80-E84 PolarHBondContact O-N 3.46Å; K80-E84 VanDerWaalsContact O-N 3.09Å |
| 81 | F | 61.1 | Low | 62.7 | Low | 128 Ų | 128 | 92.8 Ų | 92.8 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.2 | -43.9 | -178.9 | -171.9 | -93.4 | 0 | 0 | 0 | 112.3 | E77 G78 R83 E84 H85 | E77-F81 WeakPolarHBondContact O-CB 3.33Å; E77-F81 PolarHBondContact O-N 3.34Å; G78-F81 PolarHBondContact O-N 3.38Å; F81-R83 PolarHBondContact O-N 2.9Å; F81-E84 PolarHBondContact O-N 3.48Å; F81-H85 AromaticContact CD1-CE1 3.8Å; F81-H85 AromaticContact CD1-ND1 3.7Å; F81-H85 AromaticContact CD2-CE1 3.79Å; F81-H85 AromaticContact CE1-CE1 3.36Å; F81-H85 WeakPolarHBondContact CE1-CE1 3.2Å; F81-H85 AromaticContact CE1-ND1 3.64Å; F81-H85 AromaticContact CE1-NE2 3.89Å; F81-H85 AromaticContact CE2-CE1 3.36Å; F81-H85 WeakPolarHBondContact CE2-CE1 3.45Å; F81-H85 AromaticContact CG-ND1 3.99Å; F81-H85 AromaticContact CZ-CE1 3.13Å; F81-H85 WeakPolarHBondContact CZ-CE1 3.5Å; F81-H85 AromaticContact CZ-ND1 3.89Å; F81-H85 AromaticContact CZ-NE2 3.61Å; F81-H85 PolarHBondContact O-N 3.32Å; F81-H85 PolarHBondContact O-ND1 3.18Å |
| 82 | G | 66.7 | Low | 63.8 | Low | 32 Ų | 32 | 94.3 Ų | 94.3 | 33% | 0.33 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G78 K80 H85 I86 | G78-G82 PolarHBondContact O-N 3.23Å; K80-G82 PolarHBondContact O-N 2.85Å; G82-H85 PolarHBondContact O-N 3.04Å; G82-I86 WeakPolarHBondContact O-CD1 3.46Å; G82-I86 VanDerWaalsContact O-CG1 3.28Å; G82-I86 WeakPolarHBondContact O-CG1 3.31Å; G82-I86 PolarHBondContact O-N 3.08Å; G82-I86 VanDerWaalsContact O-N 3.16Å |
| 83 | R | 66.2 | Low | 65.1 | Low | 100 Ų | 100 | 92.2 Ų | 92.2 | 38% | 0.377 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 177.4 | -76 | 179.4 | -70.5 | -158.5 | 2.6 | 112.4 | L60 E79 K80 F81 H85 I86 I87 | L60-R83 HydrophobicContact CD2-CG 4.11Å; E79-R83 VanDerWaalsContact CD-NH2 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.37Å; E79-R83 PolarHBondContact O-N 2.93Å; E79-R83 PolarHBondContact O-NE 2.9Å; E79-R83 IonicContact OE1-CZ 2.98Å; E79-R83 IonicContact OE1-NE 3.82Å; E79-R83 IonicContact OE1-NH1 2.66Å; E79-R83 PolarHBondContact OE1-NH1 3.43Å; E79-R83 IonicContact OE1-NH2 3.07Å; E79-R83 PolarHBondContact OE1-NH2 2.94Å; E79-R83 IonicContact OE2-NH2 3.83Å; K80-R83 PolarHBondContact O-N 2.99Å; F81-R83 PolarHBondContact O-N 2.9Å; R83-H85 PolarHBondContact O-N 3.14Å; R83-I86 PolarHBondContact O-N 3.28Å; R83-I87 WeakPolarHBondContact O-CG1 3.48Å; R83-I87 PolarHBondContact O-N 3.19Å |
| 84 | E | 71.3 | Confident | 66 | Low | 93 Ų | 93 | 91.6 Ų | 91.6 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 178.5 | -72.2 | 174.4 | 174 | 0 | 0 | 111.9 | K80 F81 I87 V88 | K80-E84 WeakPolarHBondContact CE-OE1 3.41Å; K80-E84 IonicContact NZ-OE1 3.93Å; K80-E84 PolarHBondContact O-N 3.46Å; K80-E84 VanDerWaalsContact O-N 3.09Å; F81-E84 PolarHBondContact O-N 3.48Å; E84-I87 PolarHBondContact O-N 3.33Å; E84-V88 WeakPolarHBondContact O-CG2 3.3Å; E84-V88 PolarHBondContact O-N 3.06Å; E84-V88 VanDerWaalsContact O-N 3.1Å |
| 85 | H | 65 | Low | 67.3 | Low | 89 Ų | 89 | 92.9 Ų | 92.9 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -40.5 | 178.3 | -74 | 70.3 | 0 | 0 | 0 | 112.5 | F81 G82 R83 I87 V88 I89 | F81-H85 AromaticContact CD1-CE1 3.8Å; F81-H85 AromaticContact CD1-ND1 3.7Å; F81-H85 AromaticContact CD2-CE1 3.79Å; F81-H85 AromaticContact CE1-CE1 3.36Å; F81-H85 WeakPolarHBondContact CE1-CE1 3.2Å; F81-H85 AromaticContact CE1-ND1 3.64Å; F81-H85 AromaticContact CE1-NE2 3.89Å; F81-H85 AromaticContact CE2-CE1 3.36Å; F81-H85 WeakPolarHBondContact CE2-CE1 3.45Å; F81-H85 AromaticContact CG-ND1 3.99Å; F81-H85 AromaticContact CZ-CE1 3.13Å; F81-H85 WeakPolarHBondContact CZ-CE1 3.5Å; F81-H85 AromaticContact CZ-ND1 3.89Å; F81-H85 AromaticContact CZ-NE2 3.61Å; F81-H85 PolarHBondContact O-N 3.32Å; F81-H85 PolarHBondContact O-ND1 3.18Å; G82-H85 PolarHBondContact O-N 3.04Å; R83-H85 PolarHBondContact O-N 3.14Å; H85-I87 VanDerWaalsContact C-N 3.33Å; H85-I87 PolarHBondContact O-N 3.15Å; H85-V88 PolarHBondContact O-N 3.23Å; H85-I89 WeakPolarHBondContact O-CD1 3.26Å; H85-I89 VanDerWaalsContact O-CG1 3.28Å; H85-I89 WeakPolarHBondContact O-CG1 3.45Å; H85-I89 PolarHBondContact O-N 3.14Å |
| 86 | I | 69.7 | Low | 68 | Low | 36 Ų | 36 | 97.1 Ų | 97.1 | 19% | 0.185 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 176.6 | -66.2 | 163.8 | 0 | 0 | 0 | 110.7 | M56 F59 G82 R83 I89 N90 | M56-I86 HydrophobicContact CB-CG2 4.41Å; M56-I86 HydrophobicContact CG-CG2 3.81Å; M56-I86 HydrophobicContact SD-CG2 3.9Å; F59-I86 HydrophobicContact CD1-CD1 4.03Å; F59-I86 HydrophobicContact CE1-CD1 4.05Å; G82-I86 WeakPolarHBondContact O-CD1 3.46Å; G82-I86 VanDerWaalsContact O-CG1 3.28Å; G82-I86 WeakPolarHBondContact O-CG1 3.31Å; G82-I86 PolarHBondContact O-N 3.08Å; G82-I86 VanDerWaalsContact O-N 3.16Å; R83-I86 PolarHBondContact O-N 3.28Å; I86-I89 PolarHBondContact O-N 3.16Å; I86-N90 WeakPolarHBondContact CG2-ND2 3.3Å; I86-N90 PolarHBondContact O-N 3.24Å; I86-N90 PolarHBondContact O-ND2 3.46Å |
| 87 | I | 75.8 | Confident | 68.9 | Low | 91 Ų | 91 | 93.1 Ų | 93.1 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.6 | -67.9 | 164.1 | 0 | 0 | 0 | 111 | R83 E84 H85 I89 N90 I91 | R83-I87 WeakPolarHBondContact O-CG1 3.48Å; R83-I87 PolarHBondContact O-N 3.19Å; E84-I87 PolarHBondContact O-N 3.33Å; H85-I87 VanDerWaalsContact C-N 3.33Å; H85-I87 PolarHBondContact O-N 3.15Å; I87-I89 PolarHBondContact O-N 3.42Å; I87-N90 PolarHBondContact O-N 2.94Å; I87-I91 HydrophobicContact CG2-CD1 3.82Å; I87-I91 WeakPolarHBondContact O-CG1 3.25Å; I87-I91 PolarHBondContact O-N 2.87Å |
| 88 | V | 74 | Confident | 69.6 | Low | 98 Ų | 98 | 90.6 Ų | 90.6 | 59% | 0.594 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.5 | -43.3 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | E84 H85 N90 I91 Y92 | E84-V88 WeakPolarHBondContact O-CG2 3.3Å; E84-V88 PolarHBondContact O-N 3.06Å; E84-V88 VanDerWaalsContact O-N 3.1Å; H85-V88 PolarHBondContact O-N 3.23Å; V88-N90 VanDerWaalsContact C-N 3.35Å; V88-N90 PolarHBondContact O-N 3.32Å; V88-I91 PolarHBondContact O-N 3.49Å; V88-Y92 WeakPolarHBondContact O-CB 3.32Å; V88-Y92 PolarHBondContact O-N 3.11Å |
| 89 | I | 77.1 | Confident | 70.4 | Confident | 97 Ų | 97 | 91 Ų | 91 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 177.2 | -68.4 | 164 | 0 | 0 | 0 | 111.2 | H85 I86 I87 Y92 I93 | H85-I89 WeakPolarHBondContact O-CD1 3.26Å; H85-I89 VanDerWaalsContact O-CG1 3.28Å; H85-I89 WeakPolarHBondContact O-CG1 3.45Å; H85-I89 PolarHBondContact O-N 3.14Å; I86-I89 PolarHBondContact O-N 3.16Å; I87-I89 PolarHBondContact O-N 3.42Å; I89-Y92 PolarHBondContact O-N 3.02Å; I89-I93 HydrophobicContact CG2-CD1 3.81Å; I89-I93 WeakPolarHBondContact O-CG1 3.4Å; I89-I93 PolarHBondContact O-N 3.23Å |
| 90 | N | 59.9 | Low | 70.6 | Confident | 38 Ų | 38 | 88.1 Ų | 88.1 | 20% | 0.203 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.9 | -84.5 | -79.3 | 0 | 0 | 0 | 112.3 | M52 I86 I87 V88 Y92 I93 Y94 | M52-N90 WeakPolarHBondContact CB-OD1 3.38Å; M52-N90 VanDerWaalsContact CE-OD1 3.26Å; M52-N90 WeakPolarHBondContact CE-OD1 3.01Å; I86-N90 WeakPolarHBondContact CG2-ND2 3.3Å; I86-N90 PolarHBondContact O-N 3.24Å; I86-N90 PolarHBondContact O-ND2 3.46Å; I87-N90 PolarHBondContact O-N 2.94Å; V88-N90 VanDerWaalsContact C-N 3.35Å; V88-N90 PolarHBondContact O-N 3.32Å; N90-Y92 VanDerWaalsContact C-N 3.33Å; N90-Y92 PolarHBondContact O-N 2.9Å; N90-I93 PolarHBondContact O-N 2.93Å; N90-Y94 WeakPolarHBondContact O-CB 3.36Å; N90-Y94 PolarHBondContact O-N 2.94Å |
| 91 | I | 78.5 | Confident | 70.7 | Confident | 94 Ų | 94 | 84.2 Ų | 84.2 | 48% | 0.482 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 176.4 | -68.1 | 167.7 | 0 | 0 | 0 | 110.6 | I87 V88 Y94 I95 | I87-I91 HydrophobicContact CG2-CD1 3.82Å; I87-I91 WeakPolarHBondContact O-CG1 3.25Å; I87-I91 PolarHBondContact O-N 2.87Å; V88-I91 PolarHBondContact O-N 3.49Å; I91-Y94 PolarHBondContact O-N 3.35Å; I91-I95 HydrophobicContact CG2-CD1 3.76Å; I91-I95 HydrophobicContact CG2-CG1 4.49Å; I91-I95 VanDerWaalsContact O-CG1 3.31Å; I91-I95 WeakPolarHBondContact O-CG1 3.25Å; I91-I95 PolarHBondContact O-N 2.89Å |
| 92 | Y | 72.6 | Confident | 70.7 | Confident | 162 Ų | 162 | 82 Ų | 82 | 64% | 0.635 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 178.1 | -174.4 | -95.2 | 0 | 0 | 0 | 112.3 | V88 I89 N90 Y94 I95 Y96 | V88-Y92 WeakPolarHBondContact O-CB 3.32Å; V88-Y92 PolarHBondContact O-N 3.11Å; I89-Y92 PolarHBondContact O-N 3.02Å; N90-Y92 VanDerWaalsContact C-N 3.33Å; N90-Y92 PolarHBondContact O-N 2.9Å; Y92-Y94 PolarHBondContact O-N 3.34Å; Y92-I95 PolarHBondContact O-N 3.44Å; Y92-Y96 WeakPolarHBondContact O-CB 3.3Å; Y92-Y96 PolarHBondContact O-N 3.09Å |
| 93 | I | 77.1 | Confident | 70.5 | Confident | 60 Ų | 60 | 87 Ų | 87 | 31% | 0.308 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 178.2 | -68.6 | 167.4 | 0 | 0 | 0 | 111.2 | M52 I89 N90 Y96 I97 | M52-I93 HydrophobicContact CE-CB 3.78Å; M52-I93 HydrophobicContact CE-CD1 3.51Å; M52-I93 HydrophobicContact CE-CG1 4.23Å; M52-I93 HydrophobicContact CE-CG2 3.62Å; M52-I93 HydrophobicContact SD-CB 4.32Å; M52-I93 HydrophobicContact SD-CG2 3.67Å; I89-I93 HydrophobicContact CG2-CD1 3.81Å; I89-I93 WeakPolarHBondContact O-CG1 3.4Å; I89-I93 PolarHBondContact O-N 3.23Å; N90-I93 PolarHBondContact O-N 2.93Å; I93-Y96 PolarHBondContact O-N 3.5Å; I93-I97 HydrophobicContact CG2-CD1 3.74Å; I93-I97 HydrophobicContact CG2-CG1 4.38Å; I93-I97 WeakPolarHBondContact O-CG1 3.41Å; I93-I97 PolarHBondContact O-N 3.37Å |
| 94 | Y | 71.4 | Confident | 69.8 | Low | 111 Ų | 111 | 87.9 Ų | 87.9 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 174.1 | 179.9 | -88.9 | 0 | 0 | 0 | 111.9 | L45 N90 I91 Y92 Y96 I97 Y98 | L45-Y94 HydrophobicContact CD1-CE2 4.25Å; L45-Y94 HydrophobicContact CD2-CE2 3.67Å; L45-Y94 HydrophobicContact CG-CE2 4.05Å; N90-Y94 WeakPolarHBondContact O-CB 3.36Å; N90-Y94 PolarHBondContact O-N 2.94Å; I91-Y94 PolarHBondContact O-N 3.35Å; Y92-Y94 PolarHBondContact O-N 3.34Å; Y94-Y96 PolarHBondContact O-N 3.34Å; Y94-I97 PolarHBondContact O-N 2.94Å; Y94-Y98 VanDerWaalsContact O-CB 3.3Å; Y94-Y98 WeakPolarHBondContact O-CB 3.28Å; Y94-Y98 PolarHBondContact O-N 3.49Å |
| 95 | I | 76.5 | Confident | 68.7 | Low | 91 Ų | 91 | 85.3 Ų | 85.3 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 178.1 | -68.3 | 168.3 | 0 | 0 | 0 | 111.2 | I91 Y92 Y98 T99 | I91-I95 HydrophobicContact CG2-CD1 3.76Å; I91-I95 HydrophobicContact CG2-CG1 4.49Å; I91-I95 VanDerWaalsContact O-CG1 3.31Å; I91-I95 WeakPolarHBondContact O-CG1 3.25Å; I91-I95 PolarHBondContact O-N 2.89Å; Y92-I95 PolarHBondContact O-N 3.44Å; I95-Y98 PolarHBondContact O-N 3.39Å; I95-T99 WeakPolarHBondContact O-CB 3.42Å; I95-T99 PolarHBondContact O-N 2.93Å; I95-T99 PolarHBondContact O-OG1 2.7Å |
| 96 | Y | 73.1 | Confident | 67.8 | Low | 146 Ų | 146 | 87 Ų | 87 | 57% | 0.573 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.8 | -52.1 | 176.5 | -178.1 | -97.6 | 0 | 0 | 0 | 111.5 | Y92 I93 Y94 Y98 T99 S100 | Y92-Y96 WeakPolarHBondContact O-CB 3.3Å; Y92-Y96 PolarHBondContact O-N 3.09Å; I93-Y96 PolarHBondContact O-N 3.5Å; Y94-Y96 PolarHBondContact O-N 3.34Å; Y96-Y98 VanDerWaalsContact C-N 3.34Å; Y96-Y98 PolarHBondContact O-N 3.31Å; Y96-T99 PolarHBondContact O-N 3.46Å; Y96-S100 PolarHBondContact O-N 3.28Å; Y96-S100 PolarHBondContact O-OG 2.87Å |
| 97 | I | 73.6 | Confident | 67.7 | Low | 53 Ų | 53 | 89.6 Ų | 89.6 | 27% | 0.272 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 178.3 | -66.6 | 169.4 | 0 | 0 | 0 | 111 | L45 I93 Y94 T99 T101 | L45-I97 HydrophobicContact CD1-CG2 4.46Å; I93-I97 HydrophobicContact CG2-CD1 3.74Å; I93-I97 HydrophobicContact CG2-CG1 4.38Å; I93-I97 WeakPolarHBondContact O-CG1 3.41Å; I93-I97 PolarHBondContact O-N 3.37Å; Y94-I97 PolarHBondContact O-N 2.94Å; I97-T99 PolarHBondContact O-N 3.35Å; I97-T101 HydrophobicContact CG2-CG2 4.36Å; I97-T101 WeakPolarHBondContact O-CB 3.33Å; I97-T101 WeakPolarHBondContact O-CG2 3.19Å; I97-T101 PolarHBondContact O-N 3.21Å; I97-T101 PolarHBondContact O-OG1 3.18Å |
| 98 | Y | 72.3 | Confident | 67.3 | Low | 116 Ų | 116 | 89.5 Ų | 89.5 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.6 | -177 | -102.2 | 0 | 0 | 0 | 112.1 | L45 Y94 I95 Y96 T101 L102 | L45-Y98 HydrophobicContact CD1-CD2 4.25Å; Y94-Y98 VanDerWaalsContact O-CB 3.3Å; Y94-Y98 WeakPolarHBondContact O-CB 3.28Å; Y94-Y98 PolarHBondContact O-N 3.49Å; I95-Y98 PolarHBondContact O-N 3.39Å; Y96-Y98 VanDerWaalsContact C-N 3.34Å; Y96-Y98 PolarHBondContact O-N 3.31Å; Y98-T101 WeakPolarHBondContact CA-OG1 3.2Å; Y98-T101 PolarHBondContact O-OG1 3.38Å; Y98-T101 VanDerWaalsContact O-OG1 3.08Å; Y98-L102 HydrophobicContact CD1-CD1 3.94Å; Y98-L102 HydrophobicContact CE1-CD1 3.39Å; Y98-L102 HydrophobicContact CE1-CG 4.32Å; Y98-L102 HydrophobicContact CE2-CD1 4.47Å; Y98-L102 WeakPolarHBondContact O-CG 3.45Å; Y98-L102 PolarHBondContact O-N 3.2Å |
| 99 | T | 73.2 | Confident | 66.9 | Low | 60 Ų | 60 | 89.1 Ų | 89.1 | 37% | 0.368 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.8 | -45.5 | -179.9 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | I95 Y96 I97 T101 L102 Q103 | I95-T99 WeakPolarHBondContact O-CB 3.42Å; I95-T99 PolarHBondContact O-N 2.93Å; I95-T99 PolarHBondContact O-OG1 2.7Å; Y96-T99 PolarHBondContact O-N 3.46Å; I97-T99 PolarHBondContact O-N 3.35Å; T99-T101 PolarHBondContact O-N 2.95Å; T99-L102 PolarHBondContact O-N 2.76Å; T99-Q103 WeakPolarHBondContact O-CG 3.37Å; T99-Q103 PolarHBondContact O-N 2.84Å |
| 100 | S | 64.7 | Low | 66.3 | Low | 33 Ų | 33 | 88.6 Ų | 88.6 | 23% | 0.231 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 176.4 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | Y96 Q103 L104 | Y96-S100 PolarHBondContact O-N 3.28Å; Y96-S100 PolarHBondContact O-OG 2.87Å; S100-Q103 PolarHBondContact O-N 2.94Å; S100-L104 VanDerWaalsContact O-CG 3.26Å; S100-L104 WeakPolarHBondContact O-CG 3.27Å; S100-L104 PolarHBondContact O-N 3.39Å; S100-L104 VanDerWaalsContact O-N 3.15Å |
| 101 | T | 65.1 | Low | 66.7 | Low | 41 Ų | 41 | 91.8 Ų | 91.8 | 25% | 0.252 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.9 | -35.7 | 174.9 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | I97 Y98 T99 L104 C105 | I97-T101 HydrophobicContact CG2-CG2 4.36Å; I97-T101 WeakPolarHBondContact O-CB 3.33Å; I97-T101 WeakPolarHBondContact O-CG2 3.19Å; I97-T101 PolarHBondContact O-N 3.21Å; I97-T101 PolarHBondContact O-OG1 3.18Å; Y98-T101 WeakPolarHBondContact CA-OG1 3.2Å; Y98-T101 PolarHBondContact O-OG1 3.38Å; Y98-T101 VanDerWaalsContact O-OG1 3.08Å; T99-T101 PolarHBondContact O-N 2.95Å; T101-L104 PolarHBondContact O-N 3.43Å; T101-C105 PolarHBondContact O-N 3.45Å; T101-C105 PolarHBondContact O-SG 3.13Å |
| 102 | L | 61.4 | Low | 65.9 | Low | 81 Ų | 81 | 91.6 Ų | 91.6 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 170.2 | -77.3 | 177 | 0 | 0 | 0 | 112.3 | Y98 T99 L104 C105 V106 | Y98-L102 HydrophobicContact CD1-CD1 3.94Å; Y98-L102 HydrophobicContact CE1-CD1 3.39Å; Y98-L102 HydrophobicContact CE1-CG 4.32Å; Y98-L102 HydrophobicContact CE2-CD1 4.47Å; Y98-L102 WeakPolarHBondContact O-CG 3.45Å; Y98-L102 PolarHBondContact O-N 3.2Å; T99-L102 PolarHBondContact O-N 2.76Å; L102-L104 PolarHBondContact O-N 3.35Å; L102-C105 PolarHBondContact O-N 3.02Å; L102-V106 PolarHBondContact O-N 2.94Å |
| 103 | Q | 61.2 | Low | 65.4 | Low | 137 Ų | 137 | 86.6 Ų | 86.6 | 64% | 0.64 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63 | -19.3 | 176.4 | -74.4 | 176.2 | -26.4 | 0 | 0 | 114 | T99 S100 | T99-Q103 WeakPolarHBondContact O-CG 3.37Å; T99-Q103 PolarHBondContact O-N 2.84Å; S100-Q103 PolarHBondContact O-N 2.94Å |
| 104 | L | 52 | Low | 64.6 | Low | 118 Ų | 118 | 88.6 Ų | 88.6 | 62% | 0.618 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -9.3 | 172.7 | -69.5 | 168.3 | 0 | 0 | 0 | 113.4 | C7 S100 T101 L102 | C7-L104 WeakPolarHBondContact SG-CD2 3.31Å; S100-L104 VanDerWaalsContact O-CG 3.26Å; S100-L104 WeakPolarHBondContact O-CG 3.27Å; S100-L104 PolarHBondContact O-N 3.39Å; S100-L104 VanDerWaalsContact O-N 3.15Å; T101-L104 PolarHBondContact O-N 3.43Å; L102-L104 PolarHBondContact O-N 3.35Å |
| 105 | C | 48.2 | Very low | 64 | Low | 39 Ų | 39 | 86.8 Ų | 86.8 | 26% | 0.264 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -14.8 | -174.6 | -69.5 | 0 | 0 | 0 | 0 | 115.3 | W34 T101 L102 | W34-C105 PolarHBondContact NE1-O 2.88Å; T101-C105 PolarHBondContact O-N 3.45Å; T101-C105 PolarHBondContact O-SG 3.13Å; L102-C105 PolarHBondContact O-N 3.02Å |
| 106 | V | 46.5 | Very low | 62.8 | Low | 126 Ų | 126 | 86.4 Ų | 86.4 | 76% | 0.764 | 44% | 0.442 | S | S | * | . | trans | -80.8 | 0 | 171.5 | 175 | 0 | 0 | 0 | 0 | 113.8 | F10 L102 | F10-V106 VanDerWaalsContact CE1-C 3.5Å; F10-V106 WeakPolarHBondContact CE1-OXT 3.49Å; F10-V106 VanDerWaalsContact CE2-C 3.48Å; F10-V106 WeakPolarHBondContact CZ-OXT 3.42Å; L102-V106 PolarHBondContact O-N 2.94Å |
Retrieved 106 of 106 residues in 30.5 ms
(Link to these results)