| 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 | Very low | 47.5 | Very low | 237 Ų | 237 | 148.5 Ų | 148.5 | 100% | 1.167 | 80% | 0.801 | S | S | * | * | 0 | 108.4 | 0 | -61.7 | -160.9 | -174.1 | 0 | 0 | 107.4 | |||||
| 2 | F | 35.1 | Very low | 48.5 | Very low | 209 Ų | 209 | 144.8 Ų | 144.8 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | -89 | 115.7 | -175.9 | -67.2 | -77.4 | 0 | 0 | 0 | 109.1 | T4 | F2-T4 PolarHBondContact O-N 2.83Š| ||
| 3 | L | 39.5 | Very low | 49.5 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -74.1 | 109.7 | 172.5 | -70.7 | 169.2 | 0 | 0 | 0 | 108.5 | V5 | L3-V5 PolarHBondContact O-N 2.85Å; L3-V5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | T | 41.1 | Very low | 50.3 | Low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | trans | -73.5 | 94.4 | 168.6 | 37.8 | 0 | 0 | 0 | 0 | 108.7 | F2 V6 | F2-T4 PolarHBondContact O-N 2.83Å; T4-V6 PolarHBondContact O-N 2.89Å; T4-V6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | V | 41.7 | Very low | 51 | Low | 129 Ų | 129 | 129 Ų | 129 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | trans | -68.2 | 105.6 | 167.1 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | L3 N7 | L3-V5 PolarHBondContact O-N 2.85Å; L3-V5 VanDerWaalsContact O-N 3.09Å; V5-N7 PolarHBondContact O-N 2.96Å; V5-N7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | V | 48.3 | Very low | 51.8 | Low | 128 Ų | 128 | 133.4 Ų | 133.4 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -72.6 | 101.8 | 172.8 | 179 | 0 | 0 | 0 | 0 | 107.6 | T4 | T4-V6 PolarHBondContact O-N 2.89Å; T4-V6 VanDerWaalsContact O-N 3.1Å | ||
| 7 | N | 54.4 | Low | 52.3 | Low | 139 Ų | 139 | 131.1 Ų | 131.1 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 123.6 | 173.6 | -157.5 | 3.1 | 0 | 0 | 0 | 108.3 | V5 Q9 | V5-N7 PolarHBondContact O-N 2.96Å; V5-N7 VanDerWaalsContact O-N 3.12Å; N7-Q9 PolarHBondContact O-N 2.87Å |
| 8 | P | 56.5 | Low | 53 | Low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 132.2 | -176.8 | 22.6 | -32.7 | 0 | 0 | 0 | 111.6 | ||
| 9 | Q | 58.2 | Low | 53.9 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 58% | 0.584 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 130.4 | 173 | -73.9 | -94.5 | 6.7 | 0 | 0 | 109.2 | N7 | N7-Q9 PolarHBondContact O-N 2.87Š|
| 10 | P | 57.2 | Low | 54.9 | Low | 75 Ų | 75 | 132 Ų | 132 | 49% | 0.487 | 72% | 0.72 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 137.7 | 172.4 | 25.9 | -30.8 | 0 | 0 | 0 | 109.6 | S12 | P10-S12 PolarHBondContact O-N 3.09Š|
| 11 | L | 55.4 | Low | 55.7 | Low | 191 Ų | 191 | 132.5 Ų | 132.5 | 100% | 1 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -5.7 | -172.6 | -110.3 | 89.9 | 0 | 0 | 0 | 115.6 | ||
| 12 | S | 60 | Low | 57.6 | Low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 7 | -168.8 | 63.9 | 0 | 0 | 0 | 0 | 114.8 | P10 P14 | P10-S12 PolarHBondContact O-N 3.09Å; S12-P14 WeakPolarHBondContact O-CD 3.44Å |
| 13 | T | 61.1 | Low | 59.4 | Low | 69 Ų | 69 | 121.1 Ų | 121.1 | 42% | 0.423 | 67% | 0.665 | S | S | . | * | trans | -89.1 | 115.8 | 179.8 | -43.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 14 | P | 60 | Low | 61 | Low | 57 Ų | 57 | 116.1 Ų | 116.1 | 37% | 0.37 | 64% | 0.641 | S | S | . | * | trans | -69.4 | 136.5 | 177.9 | 29.2 | -33.7 | 0 | 0 | 0 | 110.8 | S12 W16 Q17 | S12-P14 WeakPolarHBondContact O-CD 3.44Å; P14-W16 HydrophobicContact CG-CZ2 4.41Å; P14-W16 PolarHBondContact O-N 2.98Å; P14-Q17 PolarHBondContact O-N 3.26Å; P14-Q17 VanDerWaalsContact O-N 3.14Å | ||
| 15 | G | 61.4 | Low | 62.7 | Low | 71 Ų | 71 | 118.1 Ų | 118.1 | 73% | 0.732 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -4.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 16 | W | 64.4 | Low | 64.5 | Low | 199 Ų | 199 | 115.1 Ų | 115.1 | 75% | 0.754 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -11.9 | 177.4 | 59.6 | -93 | 0 | 0 | 0 | 113.7 | P14 | P14-W16 HydrophobicContact CG-CZ2 4.41Å; P14-W16 PolarHBondContact O-N 2.98Å |
| 17 | Q | 59 | Low | 66.1 | Low | 95 Ų | 95 | 114.5 Ų | 114.5 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | trans | -99.2 | 88.5 | 171 | -78.2 | -176 | -40.9 | 0 | 0 | 110 | P14 E19 | P14-Q17 PolarHBondContact O-N 3.26Å; P14-Q17 VanDerWaalsContact O-N 3.14Å; Q17-E19 PolarHBondContact O-N 3.19Å | ||
| 18 | I | 64.8 | Low | 67.1 | Low | 155 Ų | 155 | 111.4 Ų | 111.4 | 80% | 0.795 | 60% | 0.599 | S | S | * | * | trans | -99 | 81.2 | 175.5 | -52.7 | 171.5 | 0 | 0 | 0 | 108 | ||||
| 19 | E | 70.6 | Confident | 68.2 | Low | 154 Ų | 154 | 109.8 Ų | 109.8 | 72% | 0.72 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 143.3 | 171.1 | -68.1 | -175.7 | -179.5 | 0 | 0 | 110.7 | Q17 K21 | Q17-E19 PolarHBondContact O-N 3.19Å; E19-K21 PolarHBondContact O-N 3.38Å |
| 20 | T | 74.4 | Confident | 69.2 | Low | 101 Ų | 101 | 108.9 Ų | 108.9 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 118.6 | 174.6 | 40.5 | 0 | 0 | 0 | 0 | 109.3 | Y22 | T20-Y22 WeakPolarHBondContact CB-OH 3.15Å; T20-Y22 VanDerWaalsContact O-CD2 3.28Å; T20-Y22 WeakPolarHBondContact O-CD2 3.21Å; T20-Y22 WeakPolarHBondContact O-CE2 3.45Å; T20-Y22 WeakPolarHBondContact OG1-CE2 3.41Å; T20-Y22 PolarHBondContact OG1-OH 3.05Å |
| 21 | K | 72 | Confident | 70.2 | Confident | 143 Ų | 143 | 109 Ų | 109 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 117.6 | 178.7 | -67.6 | -176.6 | -179.9 | 176.4 | 0 | 109.8 | E19 | E19-K21 PolarHBondContact O-N 3.38Š|
| 22 | Y | 73.8 | Confident | 71.4 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -101.5 | 162.9 | 175.5 | -59.8 | -80.5 | 0 | 0 | 0 | 111 | T20 | T20-Y22 WeakPolarHBondContact CB-OH 3.15Å; T20-Y22 VanDerWaalsContact O-CD2 3.28Å; T20-Y22 WeakPolarHBondContact O-CD2 3.21Å; T20-Y22 WeakPolarHBondContact O-CE2 3.45Å; T20-Y22 WeakPolarHBondContact OG1-CE2 3.41Å; T20-Y22 PolarHBondContact OG1-OH 3.05Å |
| 23 | S | 73.8 | Confident | 72.3 | Confident | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 150.8 | 172.2 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | K25 V26 | S23-K25 PolarHBondContact O-N 3.29Å; S23-V26 PolarHBondContact O-N 3.09Å |
| 24 | T | 71.9 | Confident | 73 | Confident | 57 Ų | 57 | 102.3 Ų | 102.3 | 35% | 0.35 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -6.3 | 174.3 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | E34 R35 | T24-E34 HydrophobicContact CG2-CB 3.75Å; T24-E34 WeakPolarHBondContact CG2-OE2 3.43Å; T24-R35 VanDerWaalsContact O-CZ 3.31Å; T24-R35 PolarHBondContact O-NE 2.95Å; T24-R35 PolarHBondContact O-NH2 2.8Å |
| 25 | K | 77.6 | Confident | 73.8 | Confident | 173 Ų | 173 | 106.2 Ų | 106.2 | 75% | 0.752 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -29 | 169.7 | -67 | -174.2 | 179.8 | -178.5 | 0 | 113 | S23 | S23-K25 PolarHBondContact O-N 3.29Š|
| 26 | V | 79.8 | Confident | 74.5 | Confident | 66 Ų | 66 | 111.1 Ų | 111.1 | 40% | 0.4 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -83.3 | 128.7 | 178.1 | -168.2 | 0 | 0 | 0 | 0 | 108.1 | S23 T28 | S23-V26 PolarHBondContact O-N 3.09Å; V26-T28 HydrophobicContact CG1-CG2 4.45Å; V26-T28 WeakPolarHBondContact CG1-OG1 3.37Å; V26-T28 PolarHBondContact O-N 3.41Å |
| 27 | L | 81.4 | Confident | 74.9 | Confident | 114 Ų | 114 | 108.1 Ų | 108.1 | 60% | 0.597 | 54% | 0.538 | S | S | * | . | trans | -82.3 | 48.4 | -174.4 | -54.3 | 177 | 0 | 0 | 0 | 111.8 | W31 | L27-W31 HydrophobicContact CD2-CD2 3.61Å; L27-W31 HydrophobicContact CD2-CE3 3.68Å; L27-W31 HydrophobicContact CD2-CG 4.3Å; L27-W31 HydrophobicContact CD2-CH2 3.85Å; L27-W31 HydrophobicContact CD2-CZ2 3.79Å; L27-W31 HydrophobicContact CD2-CZ3 3.8Å | ||
| 28 | T | 76.6 | Confident | 75.1 | Confident | 75 Ų | 75 | 111.4 Ų | 111.4 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -121.4 | 143.2 | -179.2 | 35.1 | 0 | 0 | 0 | 0 | 110.6 | V26 | V26-T28 HydrophobicContact CG1-CG2 4.45Å; V26-T28 WeakPolarHBondContact CG1-OG1 3.37Å; V26-T28 PolarHBondContact O-N 3.41Å |
| 29 | G | 79.6 | Confident | 75.1 | Confident | 73 Ų | 73 | 109.9 Ų | 109.9 | 75% | 0.753 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 63.9 | -140.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | W31 | G29-W31 PolarHBondContact O-N 3.37Š|
| 30 | N | 77.6 | Confident | 74.7 | Confident | 106 Ų | 106 | 112 Ų | 112 | 57% | 0.567 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -83.6 | 33.5 | -170.4 | -159 | 18.7 | 0 | 0 | 0 | 114.6 | V32 E33 E34 | N30-V32 VanDerWaalsContact C-N 3.28Å; N30-V32 PolarHBondContact O-N 3.38Å; N30-E33 PolarHBondContact O-N 3.35Å; N30-E33 WeakPolarHBondContact OD1-CB 3.41Å; N30-E33 WeakPolarHBondContact OD1-CG 3.34Å; N30-E34 WeakPolarHBondContact O-CG 3.28Å; N30-E34 PolarHBondContact O-N 2.87Å |
| 31 | W | 79.4 | Confident | 74.2 | Confident | 79 Ų | 79 | 113.5 Ų | 113.5 | 30% | 0.299 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.7 | -33.1 | -167.8 | 71.9 | -91.1 | 0 | 0 | 0 | 114 | L27 G29 R35 | L27-W31 HydrophobicContact CD2-CD2 3.61Å; L27-W31 HydrophobicContact CD2-CE3 3.68Å; L27-W31 HydrophobicContact CD2-CG 4.3Å; L27-W31 HydrophobicContact CD2-CH2 3.85Å; L27-W31 HydrophobicContact CD2-CZ2 3.79Å; L27-W31 HydrophobicContact CD2-CZ3 3.8Å; G29-W31 PolarHBondContact O-N 3.37Å; W31-R35 WeakPolarHBondContact O-CG 3.47Å; W31-R35 PolarHBondContact O-N 3.06Å |
| 32 | V | 80.6 | Confident | 73.7 | Confident | 52 Ų | 52 | 112.4 Ų | 112.4 | 32% | 0.315 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.4 | -48.5 | 178.7 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | N30 E34 R35 R36 | N30-V32 VanDerWaalsContact C-N 3.28Å; N30-V32 PolarHBondContact O-N 3.38Å; V32-E34 VanDerWaalsContact C-N 3.33Å; V32-R35 PolarHBondContact O-N 3.21Å; V32-R36 WeakPolarHBondContact O-CG 3.48Å; V32-R36 PolarHBondContact O-N 3.01Å |
| 33 | E | 78.3 | Confident | 73.4 | Confident | 94 Ų | 94 | 113 Ų | 113 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.5 | -35.7 | -179.4 | -63.2 | -59 | 148.6 | 0 | 0 | 111.2 | N30 R35 R36 K37 | N30-E33 PolarHBondContact O-N 3.35Å; N30-E33 WeakPolarHBondContact OD1-CB 3.41Å; N30-E33 WeakPolarHBondContact OD1-CG 3.34Å; E33-R35 VanDerWaalsContact C-N 3.28Å; E33-R35 PolarHBondContact O-N 3.34Å; E33-R36 CarbonylContact O-C 3.48Å; E33-R36 PolarHBondContact O-N 3.01Å; E33-R36 VanDerWaalsContact O-N 3.09Å; E33-K37 PolarHBondContact O-N 3.32Å |
| 34 | E | 76.2 | Confident | 73.3 | Confident | 77 Ų | 77 | 118.2 Ų | 118.2 | 36% | 0.36 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.2 | -32.6 | 174.8 | -67.2 | -152.9 | 131.5 | 0 | 0 | 113.3 | T24 N30 V32 K37 | T24-E34 HydrophobicContact CG2-CB 3.75Å; T24-E34 WeakPolarHBondContact CG2-OE2 3.43Å; N30-E34 WeakPolarHBondContact O-CG 3.28Å; N30-E34 PolarHBondContact O-N 2.87Å; V32-E34 VanDerWaalsContact C-N 3.33Å; E34-K37 IonicContact OE1-NZ 3.15Å; E34-K37 PolarHBondContact OE1-NZ 2.99Å; E34-K37 VanDerWaalsContact OE1-NZ 3.15Å |
| 35 | R | 77.1 | Confident | 73.7 | Confident | 139 Ų | 139 | 120.9 Ų | 120.9 | 53% | 0.525 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76.2 | -28.3 | 170.9 | -73.3 | -174.5 | -174.7 | 179.8 | 6.1 | 113.1 | T24 W31 V32 E33 K37 | T24-R35 VanDerWaalsContact O-CZ 3.31Å; T24-R35 PolarHBondContact O-NE 2.95Å; T24-R35 PolarHBondContact O-NH2 2.8Å; W31-R35 WeakPolarHBondContact O-CG 3.47Å; W31-R35 PolarHBondContact O-N 3.06Å; V32-R35 PolarHBondContact O-N 3.21Å; E33-R35 VanDerWaalsContact C-N 3.28Å; E33-R35 PolarHBondContact O-N 3.34Å; R35-K37 VanDerWaalsContact C-N 3.32Å |
| 36 | R | 74.9 | Confident | 73.8 | Confident | 174 Ų | 174 | 118.9 Ų | 118.9 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -81.8 | -5.6 | 176.2 | -75.2 | -179.5 | 173.5 | -175.2 | -2.8 | 113.8 | V32 E33 F38 | V32-R36 WeakPolarHBondContact O-CG 3.48Å; V32-R36 PolarHBondContact O-N 3.01Å; E33-R36 CarbonylContact O-C 3.48Å; E33-R36 PolarHBondContact O-N 3.01Å; E33-R36 VanDerWaalsContact O-N 3.09Å; R36-F38 PolarHBondContact O-N 3.14Å |
| 37 | K | 74.5 | Confident | 73.9 | Confident | 135 Ų | 135 | 121.7 Ų | 121.7 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -52 | 107.9 | 173.3 | -76.1 | 177.2 | -175.5 | 167.5 | 0 | 108.8 | E33 E34 R35 T39 | E33-K37 PolarHBondContact O-N 3.32Å; E34-K37 IonicContact OE1-NZ 3.15Å; E34-K37 PolarHBondContact OE1-NZ 2.99Å; E34-K37 VanDerWaalsContact OE1-NZ 3.15Å; R35-K37 VanDerWaalsContact C-N 3.32Å; K37-T39 PolarHBondContact O-N 2.99Å; K37-T39 VanDerWaalsContact O-N 3.14Å |
| 38 | F | 61.5 | Low | 74.3 | Confident | 165 Ų | 165 | 120 Ų | 120 | 72% | 0.724 | 61% | 0.614 | S | S | * | * | trans | -57.5 | 114.4 | -170.2 | -176.8 | -106.3 | 0 | 0 | 0 | 110.5 | R36 R40 | R36-F38 PolarHBondContact O-N 3.14Å; F38-R40 HydrophobicContact CD1-CB 4.23Å; F38-R40 HydrophobicContact CD1-CG 3.55Å; F38-R40 HydrophobicContact CE1-CB 4.17Å; F38-R40 HydrophobicContact CE1-CG 3.72Å; F38-R40 PolarHBondContact O-N 3.15Å | ||
| 39 | T | 65.7 | Low | 74.8 | Confident | 123 Ų | 123 | 122.1 Ų | 122.1 | 76% | 0.755 | 62% | 0.621 | S | S | * | * | trans | -66.7 | 101.2 | 163.2 | -40.6 | 0 | 0 | 0 | 0 | 105.7 | K37 D41 | K37-T39 PolarHBondContact O-N 2.99Å; K37-T39 VanDerWaalsContact O-N 3.14Å; T39-D41 PolarHBondContact O-N 3.05Å | ||
| 40 | R | 63 | Low | 75.2 | Confident | 199 Ų | 199 | 126.2 Ų | 126.2 | 75% | 0.751 | 62% | 0.615 | S | S | * | * | trans | -61.2 | 111.7 | 174.3 | -77.2 | -175.6 | 175.2 | 175.9 | -0.7 | 107.3 | F38 T42 | F38-R40 HydrophobicContact CD1-CB 4.23Å; F38-R40 HydrophobicContact CD1-CG 3.55Å; F38-R40 HydrophobicContact CE1-CB 4.17Å; F38-R40 HydrophobicContact CE1-CG 3.72Å; F38-R40 PolarHBondContact O-N 3.15Å; R40-T42 PolarHBondContact O-N 3.22Å; R40-T42 PolarHBondContact O-OG1 2.94Å | ||
| 41 | D | 62.4 | Low | 75.6 | Confident | 131 Ų | 131 | 123.1 Ų | 123.1 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | trans | -58.6 | 95.7 | 164.4 | -81 | -12.3 | 0 | 0 | 0 | 107 | T39 D43 | T39-D41 PolarHBondContact O-N 3.05Å; D41-D43 PolarHBondContact O-N 2.94Å | ||
| 42 | T | 62.7 | Low | 75.9 | Confident | 120 Ų | 120 | 126.4 Ų | 126.4 | 74% | 0.736 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -5.6 | -176.3 | -44.9 | 0 | 0 | 0 | 0 | 110.4 | R40 K44 | R40-T42 PolarHBondContact O-N 3.22Å; R40-T42 PolarHBondContact O-OG1 2.94Å; T42-K44 VanDerWaalsContact C-N 3.32Å; T42-K44 PolarHBondContact O-N 3.19Å |
| 43 | D | 66.5 | Low | 76.4 | Confident | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -16.8 | -168.8 | -60 | -14.9 | 0 | 0 | 0 | 113.6 | D41 | D41-D43 PolarHBondContact O-N 2.94Š|
| 44 | K | 72 | Confident | 76.9 | Confident | 184 Ų | 184 | 132.4 Ų | 132.4 | 80% | 0.8 | 64% | 0.644 | S | S | * | * | trans | -128.6 | 95.5 | -174.2 | -61.2 | -175.2 | -173.6 | 175.5 | 0 | 111.4 | T42 | T42-K44 VanDerWaalsContact C-N 3.32Å; T42-K44 PolarHBondContact O-N 3.19Å | ||
| 45 | T | 80.3 | Confident | 77.4 | Confident | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.693 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 132.5 | 167.8 | 37.4 | 0 | 0 | 0 | 0 | 110.2 | Q47 | T45-Q47 PolarHBondContact O-N 3.39Å; T45-Q47 VanDerWaalsContact O-N 3.15Å |
| 46 | P | 79.1 | Confident | 77.8 | Confident | 131 Ų | 131 | 131.5 Ų | 131.5 | 85% | 0.851 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 116.1 | 177.4 | 26 | -32.3 | 0 | 0 | 0 | 109.6 | ||
| 47 | Q | 82.1 | Confident | 78.3 | Confident | 125 Ų | 125 | 130.2 Ų | 130.2 | 58% | 0.584 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 148.7 | 175.3 | -67.4 | -176.7 | -16.3 | 0 | 0 | 111.3 | T45 K52 | T45-Q47 PolarHBondContact O-N 3.39Å; T45-Q47 VanDerWaalsContact O-N 3.15Å; Q47-K52 HydrophobicContact CB-CG 4.33Å |
| 48 | S | 89.3 | Confident | 78.7 | Confident | 78 Ų | 78 | 129.4 Ų | 129.4 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 155.3 | 172.8 | 65.5 | 0 | 0 | 0 | 0 | 111.2 | Y50 G51 K52 | S48-Y50 PolarHBondContact O-N 2.9Å; S48-G51 PolarHBondContact O-N 3.38Å; S48-G51 VanDerWaalsContact O-N 3.09Å; S48-G51 PolarHBondContact OG-N 3.11Å; S48-K52 PolarHBondContact O-N 3.3Å |
| 49 | I | 88.4 | Confident | 79.7 | Confident | 119 Ų | 119 | 128.7 Ų | 128.7 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -56.8 | -43.3 | 176.8 | -60.9 | 170.6 | 0 | 0 | 0 | 110.2 | G51 K52 E53 | I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 3.2Å; I49-K52 WeakPolarHBondContact O-CB 3.13Å; I49-K52 PolarHBondContact O-N 3.1Å; I49-E53 HydrophobicContact CG2-CG 4.23Å; I49-E53 VanDerWaalsContact CG2-OE1 3.23Å; I49-E53 WeakPolarHBondContact CG2-OE1 3.23Å; I49-E53 PolarHBondContact O-N 3.49Å |
| 50 | Y | 87.9 | Confident | 80.5 | Confident | 159 Ų | 159 | 129.2 Ų | 129.2 | 62% | 0.624 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -56.3 | -43.9 | 175 | -178.1 | -98.6 | 0 | 0 | 0 | 112.9 | S48 K52 E53 Y54 | S48-Y50 PolarHBondContact O-N 2.9Å; Y50-K52 PolarHBondContact O-N 3.4Å; Y50-E53 PolarHBondContact O-N 3.24Å; Y50-Y54 HydrophobicContact CE1-CD1 4.37Å; Y50-Y54 HydrophobicContact CE1-CG 4.24Å; Y50-Y54 HydrophobicContact CE2-CD2 4.5Å; Y50-Y54 HydrophobicContact CE2-CG 4.41Å; Y50-Y54 AromaticContact CZ-CG 3.92Å; Y50-Y54 WeakPolarHBondContact O-CB 3.09Å; Y50-Y54 PolarHBondContact O-N 2.92Å |
| 51 | G | 85.1 | Confident | 81.4 | Confident | 41 Ų | 41 | 130.3 Ų | 130.3 | 42% | 0.423 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -68.4 | -22 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S48 I49 | S48-G51 PolarHBondContact O-N 3.38Å; S48-G51 VanDerWaalsContact O-N 3.09Å; S48-G51 PolarHBondContact OG-N 3.11Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-G51 PolarHBondContact O-N 3.2Å |
| 52 | K | 86.3 | Confident | 82.2 | Confident | 148 Ų | 148 | 128 Ų | 128 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -83.6 | -36.9 | 175.1 | -66.6 | 179 | -178.9 | -179.8 | 0 | 112.5 | Q47 S48 I49 Y50 | Q47-K52 HydrophobicContact CB-CG 4.33Å; S48-K52 PolarHBondContact O-N 3.3Å; I49-K52 WeakPolarHBondContact O-CB 3.13Å; I49-K52 PolarHBondContact O-N 3.1Å; Y50-K52 PolarHBondContact O-N 3.4Å |
| 53 | E | 91.3 | Very high | 83.4 | Confident | 147 Ų | 147 | 126.1 Ų | 126.1 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -90.4 | -33.1 | -174.6 | -68.6 | 177.2 | -178.8 | 0 | 0 | 113.2 | I49 Y50 I55 | I49-E53 HydrophobicContact CG2-CG 4.23Å; I49-E53 VanDerWaalsContact CG2-OE1 3.23Å; I49-E53 WeakPolarHBondContact CG2-OE1 3.23Å; I49-E53 PolarHBondContact O-N 3.49Å; Y50-E53 PolarHBondContact O-N 3.24Å; E53-I55 PolarHBondContact O-N 3.12Å |
| 54 | Y | 88.8 | Confident | 84.4 | Confident | 126 Ų | 126 | 126.9 Ų | 126.9 | 49% | 0.494 | 64% | 0.641 | S | S | . | * | trans | -76.7 | 118.1 | 180 | 179.6 | -106 | 0 | 0 | 0 | 110.9 | Y50 P56 | Y50-Y54 HydrophobicContact CE1-CD1 4.37Å; Y50-Y54 HydrophobicContact CE1-CG 4.24Å; Y50-Y54 HydrophobicContact CE2-CD2 4.5Å; Y50-Y54 HydrophobicContact CE2-CG 4.41Å; Y50-Y54 AromaticContact CZ-CG 3.92Å; Y50-Y54 WeakPolarHBondContact O-CB 3.09Å; Y50-Y54 PolarHBondContact O-N 2.92Å; Y54-P56 HydrophobicContact CD1-CB 4.48Å; Y54-P56 HydrophobicContact CE1-CB 3.8Å; Y54-P56 WeakPolarHBondContact O-CD 3.22Å | ||
| 55 | I | 86.7 | Confident | 85.2 | Confident | 115 Ų | 115 | 123.3 Ų | 123.3 | 59% | 0.59 | 63% | 0.63 | S | S | * | * | trans | -98.7 | 107 | 172.9 | -59.2 | 172.3 | 0 | 0 | 0 | 107.6 | E53 F57 | E53-I55 PolarHBondContact O-N 3.12Å; I55-F57 HydrophobicContact CB-CE2 4.5Å; I55-F57 HydrophobicContact CB-CZ 4.49Å; I55-F57 HydrophobicContact CG2-CE1 4.29Å; I55-F57 HydrophobicContact CG2-CE2 4.41Å; I55-F57 HydrophobicContact CG2-CZ 4.08Å; I55-F57 WeakPolarHBondContact O-CD2 3.31Å; I55-F57 PolarHBondContact O-N 3.39Å | ||
| 56 | P | 85.3 | Confident | 85.6 | Confident | 81 Ų | 81 | 121.5 Ų | 121.5 | 53% | 0.526 | 62% | 0.622 | S | S | . | * | trans | -67.4 | 130.4 | 174.4 | 26.7 | -31.7 | 0 | 0 | 0 | 109.5 | Y54 P58 | Y54-P56 HydrophobicContact CD1-CB 4.48Å; Y54-P56 HydrophobicContact CE1-CB 3.8Å; Y54-P56 WeakPolarHBondContact O-CD 3.22Å; P56-P58 WeakPolarHBondContact O-CD 3.5Å | ||
| 57 | F | 85 | Confident | 86.1 | Confident | 147 Ų | 147 | 124.1 Ų | 124.1 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | trans | -102.7 | 90 | 168.9 | -63.7 | -79.1 | 0 | 0 | 0 | 109 | I55 D59 H60 | I55-F57 HydrophobicContact CB-CE2 4.5Å; I55-F57 HydrophobicContact CB-CZ 4.49Å; I55-F57 HydrophobicContact CG2-CE1 4.29Å; I55-F57 HydrophobicContact CG2-CE2 4.41Å; I55-F57 HydrophobicContact CG2-CZ 4.08Å; I55-F57 WeakPolarHBondContact O-CD2 3.31Å; I55-F57 PolarHBondContact O-N 3.39Å; F57-D59 VanDerWaalsContact C-N 3.27Å; F57-D59 PolarHBondContact O-N 2.53Å; F57-H60 HydrophobicContact CB-CB 3.55Å; F57-H60 WeakPolarHBondContact O-CB 3.48Å; F57-H60 PolarHBondContact O-N 3.08Å | ||
| 58 | P | 83.1 | Confident | 86.5 | Confident | 118 Ų | 118 | 124.4 Ų | 124.4 | 77% | 0.766 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -32.1 | -172.1 | 23.6 | -33.5 | 0 | 0 | 0 | 113.2 | P56 | P56-P58 WeakPolarHBondContact O-CD 3.5Š|
| 59 | D | 83 | Confident | 86.5 | Confident | 151 Ų | 151 | 126.5 Ų | 126.5 | 81% | 0.807 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 0.2 | -178.8 | -60 | -42 | 0 | 0 | 0 | 113.5 | F57 R61 | F57-D59 VanDerWaalsContact C-N 3.27Å; F57-D59 PolarHBondContact O-N 2.53Å; D59-R61 PolarHBondContact O-N 2.92Å; D59-R61 VanDerWaalsContact O-N 3.11Å |
| 60 | H | 82.6 | Confident | 86.5 | Confident | 134 Ų | 134 | 122.6 Ų | 122.6 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | trans | -71.9 | 110.8 | -179.9 | 179.5 | 69.7 | 0 | 0 | 0 | 110.4 | F57 | F57-H60 HydrophobicContact CB-CB 3.55Å; F57-H60 WeakPolarHBondContact O-CB 3.48Å; F57-H60 PolarHBondContact O-N 3.08Å | ||
| 61 | R | 81.1 | Confident | 86.6 | Confident | 221 Ų | 221 | 121.2 Ų | 121.2 | 83% | 0.834 | 59% | 0.594 | S | S | * | * | trans | -87.5 | 129.7 | 166.7 | -68.2 | -175.4 | 178.5 | -178.5 | 0.1 | 108.8 | D59 D63 | D59-R61 PolarHBondContact O-N 2.92Å; D59-R61 VanDerWaalsContact O-N 3.11Å; R61-D63 PolarHBondContact O-N 3.12Å | ||
| 62 | P | 79.6 | Confident | 86.6 | Confident | 82 Ų | 82 | 124.3 Ų | 124.3 | 53% | 0.532 | 59% | 0.593 | S | S | . | * | trans | -60.8 | 135.5 | 174.6 | 25.9 | -33.2 | 0 | 0 | 0 | 109.3 | Q64 | P62-Q64 PolarHBondContact O-N 3.35Š| ||
| 63 | D | 87.6 | Confident | 86.6 | Confident | 82 Ų | 82 | 126 Ų | 126 | 44% | 0.439 | 60% | 0.6 | S | S | . | * | trans | -68.1 | 99.1 | 175.5 | -178.3 | 5.6 | 0 | 0 | 0 | 110 | R61 I65 S66 R67 | R61-D63 PolarHBondContact O-N 3.12Å; D63-I65 PolarHBondContact O-N 3.23Å; D63-I65 WeakPolarHBondContact OD1-CA 3.25Å; D63-I65 VanDerWaalsContact OD1-CB 3.31Å; D63-I65 WeakPolarHBondContact OD1-CB 3.1Å; D63-I65 PolarHBondContact OD1-N 3.09Å; D63-S66 PolarHBondContact O-N 3.5Å; D63-S66 PolarHBondContact OD1-N 3.38Å; D63-S66 WeakPolarHBondContact OD2-CB 3.13Å; D63-S66 PolarHBondContact OD2-N 3.41Å; D63-S66 PolarHBondContact OD2-OG 3.47Å; D63-R67 PolarHBondContact O-N 2.9Å; D63-R67 VanDerWaalsContact O-N 3.08Å | ||
| 64 | Q | 87.9 | Confident | 86.4 | Confident | 162 Ų | 162 | 125 Ų | 125 | 76% | 0.757 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.4 | -29.7 | 179.7 | -166.8 | 173.6 | 12.5 | 0 | 0 | 111.5 | P62 W68 | P62-Q64 PolarHBondContact O-N 3.35Å; Q64-W68 VanDerWaalsContact O-CB 3.26Å; Q64-W68 WeakPolarHBondContact O-CB 3.5Å; Q64-W68 PolarHBondContact O-N 2.93Å |
| 65 | I | 89.4 | Confident | 86.2 | Confident | 110 Ų | 110 | 124.3 Ų | 124.3 | 56% | 0.564 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.6 | -52 | 180 | -60.3 | 176.9 | 0 | 0 | 0 | 108.8 | D63 R67 W68 Y69 | D63-I65 PolarHBondContact O-N 3.23Å; D63-I65 WeakPolarHBondContact OD1-CA 3.25Å; D63-I65 VanDerWaalsContact OD1-CB 3.31Å; D63-I65 WeakPolarHBondContact OD1-CB 3.1Å; D63-I65 PolarHBondContact OD1-N 3.09Å; I65-R67 VanDerWaalsContact C-N 3.34Å; I65-R67 PolarHBondContact O-N 3.15Å; I65-W68 PolarHBondContact O-N 3.35Å; I65-W68 VanDerWaalsContact O-N 3.12Å; I65-Y69 HydrophobicContact CG2-CD2 3.59Å; I65-Y69 HydrophobicContact CG2-CE2 3.46Å; I65-Y69 VanDerWaalsContact CG2-CE2 3.46Å; I65-Y69 VanDerWaalsContact O-CD2 3.25Å; I65-Y69 WeakPolarHBondContact O-CD2 3.45Å; I65-Y69 PolarHBondContact O-N 3.48Å |
| 66 | S | 88.4 | Confident | 86.2 | Confident | 75 Ų | 75 | 121.6 Ų | 121.6 | 52% | 0.524 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.4 | -41.5 | 175.9 | -72.2 | 0 | 0 | 0 | 0 | 112.7 | D63 W68 Y69 G70 | D63-S66 PolarHBondContact O-N 3.5Å; D63-S66 PolarHBondContact OD1-N 3.38Å; D63-S66 WeakPolarHBondContact OD2-CB 3.13Å; D63-S66 PolarHBondContact OD2-N 3.41Å; D63-S66 PolarHBondContact OD2-OG 3.47Å; S66-W68 PolarHBondContact O-N 3.37Å; S66-Y69 PolarHBondContact O-N 3.33Å; S66-G70 PolarHBondContact O-N 2.96Å |
| 67 | R | 89.8 | Confident | 86.3 | Confident | 185 Ų | 185 | 123.3 Ų | 123.3 | 70% | 0.698 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.3 | -42.7 | 173.7 | -82.9 | -178.1 | 77.4 | -175.9 | 5.3 | 112.3 | D63 I65 G70 K71 | D63-R67 PolarHBondContact O-N 2.9Å; D63-R67 VanDerWaalsContact O-N 3.08Å; I65-R67 VanDerWaalsContact C-N 3.34Å; I65-R67 PolarHBondContact O-N 3.15Å; R67-G70 PolarHBondContact O-N 3.4Å; R67-K71 WeakPolarHBondContact O-CB 3.26Å; R67-K71 PolarHBondContact O-N 3.34Å |
| 68 | W | 89.7 | Confident | 86.4 | Confident | 132 Ų | 132 | 119.7 Ų | 119.7 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.2 | -41.8 | -179 | -175.6 | 68.9 | 0 | 0 | 0 | 112.4 | Q64 I65 S66 K71 R72 | Q64-W68 VanDerWaalsContact O-CB 3.26Å; Q64-W68 WeakPolarHBondContact O-CB 3.5Å; Q64-W68 PolarHBondContact O-N 2.93Å; I65-W68 PolarHBondContact O-N 3.35Å; I65-W68 VanDerWaalsContact O-N 3.12Å; S66-W68 PolarHBondContact O-N 3.37Å; W68-K71 PolarHBondContact O-N 3.06Å; W68-R72 VanDerWaalsContact CZ2-CZ 3.44Å; W68-R72 VanDerWaalsContact CZ3-NH2 3.35Å; W68-R72 PolarHBondContact O-N 3.33Å |
| 69 | Y | 89.3 | Confident | 86.4 | Confident | 122 Ų | 122 | 121.6 Ų | 121.6 | 48% | 0.478 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.5 | -42.3 | 173.1 | -82.4 | -72.6 | 0 | 0 | 0 | 112.3 | I65 S66 R72 K73 | I65-Y69 HydrophobicContact CG2-CD2 3.59Å; I65-Y69 HydrophobicContact CG2-CE2 3.46Å; I65-Y69 VanDerWaalsContact CG2-CE2 3.46Å; I65-Y69 VanDerWaalsContact O-CD2 3.25Å; I65-Y69 WeakPolarHBondContact O-CD2 3.45Å; I65-Y69 PolarHBondContact O-N 3.48Å; S66-Y69 PolarHBondContact O-N 3.33Å; Y69-R72 PolarHBondContact O-N 2.96Å; Y69-K73 WeakPolarHBondContact O-CG 3.41Å; Y69-K73 PolarHBondContact O-N 3.03Å |
| 70 | G | 88.9 | Confident | 86.5 | Confident | 37 Ų | 37 | 120.4 Ų | 120.4 | 38% | 0.381 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.4 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S66 R67 K73 V74 | S66-G70 PolarHBondContact O-N 2.96Å; R67-G70 PolarHBondContact O-N 3.4Å; G70-K73 PolarHBondContact O-N 2.87Å; G70-V74 WeakPolarHBondContact O-CG2 3.36Å; G70-V74 PolarHBondContact O-N 2.89Å |
| 71 | K | 89 | Confident | 86.6 | Confident | 130 Ų | 130 | 120.1 Ų | 120.1 | 57% | 0.565 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.3 | -47.8 | 176.9 | -167.2 | -172.6 | 179.2 | -155.3 | 0 | 112 | R67 W68 K73 V74 E75 | R67-K71 WeakPolarHBondContact O-CB 3.26Å; R67-K71 PolarHBondContact O-N 3.34Å; W68-K71 PolarHBondContact O-N 3.06Å; K71-K73 VanDerWaalsContact C-N 3.29Å; K71-K73 PolarHBondContact O-N 2.91Å; K71-V74 PolarHBondContact O-N 3.44Å; K71-E75 WeakPolarHBondContact CD-OE1 3.47Å; K71-E75 WeakPolarHBondContact CE-OE1 3.4Å; K71-E75 HydrophobicContact CG-CG 4.31Å; K71-E75 IonicContact NZ-OE1 3.29Å; K71-E75 PolarHBondContact NZ-OE1 3.44Å; K71-E75 WeakPolarHBondContact O-CG 3.08Å; K71-E75 PolarHBondContact O-N 3.14Å |
| 72 | R | 85.3 | Confident | 86.9 | Confident | 106 Ų | 106 | 115.3 Ų | 115.3 | 40% | 0.4 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.5 | -34 | 178.4 | -79.4 | -165 | -60.7 | 175.1 | -158.1 | 113.6 | W68 Y69 V74 | W68-R72 VanDerWaalsContact CZ2-CZ 3.44Å; W68-R72 VanDerWaalsContact CZ3-NH2 3.35Å; W68-R72 PolarHBondContact O-N 3.33Å; Y69-R72 PolarHBondContact O-N 2.96Å; R72-V74 VanDerWaalsContact C-N 3.26Å; R72-V74 PolarHBondContact O-N 3.03Å |
| 73 | K | 86 | Confident | 87.1 | Confident | 183 Ų | 183 | 115.6 Ų | 115.6 | 80% | 0.796 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.4 | -30.9 | 174.5 | -77.5 | -175.6 | 177.9 | -176.4 | 0 | 112.5 | Y69 G70 K71 | Y69-K73 WeakPolarHBondContact O-CG 3.41Å; Y69-K73 PolarHBondContact O-N 3.03Å; G70-K73 PolarHBondContact O-N 2.87Å; K71-K73 VanDerWaalsContact C-N 3.29Å; K71-K73 PolarHBondContact O-N 2.91Å |
| 74 | V | 87.3 | Confident | 87.1 | Confident | 125 Ų | 125 | 114.1 Ų | 114.1 | 76% | 0.758 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -90.3 | -22 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 112.6 | G70 K71 R72 G76 | G70-V74 WeakPolarHBondContact O-CG2 3.36Å; G70-V74 PolarHBondContact O-N 2.89Å; K71-V74 PolarHBondContact O-N 3.44Å; R72-V74 VanDerWaalsContact C-N 3.26Å; R72-V74 PolarHBondContact O-N 3.03Å; V74-G76 PolarHBondContact O-N 3.29Å |
| 75 | E | 85.8 | Confident | 86.7 | Confident | 112 Ų | 112 | 113 Ų | 113 | 52% | 0.523 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -61 | -14.2 | -177.4 | -85.6 | 172.8 | 174.6 | 0 | 0 | 114.6 | K71 | K71-E75 WeakPolarHBondContact CD-OE1 3.47Å; K71-E75 WeakPolarHBondContact CE-OE1 3.4Å; K71-E75 HydrophobicContact CG-CG 4.31Å; K71-E75 IonicContact NZ-OE1 3.29Å; K71-E75 PolarHBondContact NZ-OE1 3.44Å; K71-E75 WeakPolarHBondContact O-CG 3.08Å; K71-E75 PolarHBondContact O-N 3.14Å |
| 76 | G | 86.7 | Confident | 86.4 | Confident | 59 Ų | 59 | 116 Ų | 116 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | trans | 67.6 | -157.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V74 | V74-G76 PolarHBondContact O-N 3.29Š| ||
| 77 | L | 87 | Confident | 86.1 | Confident | 116 Ų | 116 | 120.4 Ų | 120.4 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -73.8 | 135.4 | -179.8 | -127.3 | 93.6 | 0 | 0 | 0 | 110.4 | H81 L82 | L77-H81 HydrophobicContact CD2-CB 3.67Å; L77-L82 HydrophobicContact CB-CD2 4.46Å; L77-L82 HydrophobicContact CD2-CD2 4.07Å |
| 78 | P | 86.3 | Confident | 85.7 | Confident | 71 Ų | 71 | 114.5 Ų | 114.5 | 46% | 0.461 | 56% | 0.559 | S | S | . | * | trans | -63.5 | 141.8 | 177.8 | -15.7 | 25.5 | 0 | 0 | 0 | 111.5 | K80 H81 | P78-K80 PolarHBondContact O-N 2.96Å; P78-H81 WeakPolarHBondContact CD-ND1 3.38Å; P78-H81 WeakPolarHBondContact CG-ND1 3.43Å; P78-H81 PolarHBondContact O-N 2.89Å | ||
| 79 | Y | 84.5 | Confident | 85.4 | Confident | 158 Ų | 158 | 111.4 Ų | 111.4 | 62% | 0.62 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -44.9 | -39.2 | 174.2 | 177.3 | -86.2 | 0 | 0 | 0 | 113.2 | H81 L82 I83 | Y79-H81 PolarHBondContact O-N 3Å; Y79-L82 PolarHBondContact O-N 3.05Å; Y79-I83 HydrophobicContact CD2-CD1 3.55Å; Y79-I83 HydrophobicContact CE1-CB 4Å; Y79-I83 HydrophobicContact CE1-CD1 4.45Å; Y79-I83 HydrophobicContact CE1-CG2 4.11Å; Y79-I83 HydrophobicContact CE2-CB 4.16Å; Y79-I83 HydrophobicContact CE2-CD1 3.06Å; Y79-I83 HydrophobicContact CE2-CG1 4.13Å; Y79-I83 HydrophobicContact CE2-CG2 4.4Å; Y79-I83 HydrophobicContact CG-CD1 4.43Å; Y79-I83 PolarHBondContact O-N 3.02Å; Y79-I83 WeakPolarHBondContact OH-CG2 3.47Å |
| 80 | K | 84.8 | Confident | 84.9 | Confident | 127 Ų | 127 | 111.6 Ų | 111.6 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -50.1 | -44.8 | 177.5 | -172.8 | 179.9 | 178.5 | -176.9 | 0 | 111.7 | P78 L82 T84 | P78-K80 PolarHBondContact O-N 2.96Å; K80-L82 VanDerWaalsContact C-N 3.34Å; K80-L82 PolarHBondContact O-N 3.49Å; K80-T84 HydrophobicContact CG-CG2 4.04Å; K80-T84 VanDerWaalsContact O-CB 3.27Å; K80-T84 WeakPolarHBondContact O-CB 3.37Å; K80-T84 WeakPolarHBondContact O-CG2 3.27Å; K80-T84 PolarHBondContact O-N 2.55Å; K80-T84 PolarHBondContact O-OG1 3.2Å |
| 81 | H | 84.1 | Confident | 84.6 | Confident | 128 Ų | 128 | 116 Ų | 116 | 59% | 0.593 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -79 | -18.3 | -176.5 | -57.7 | 96.6 | 0 | 0 | 0 | 113.6 | L77 P78 Y79 | L77-H81 HydrophobicContact CD2-CB 3.67Å; P78-H81 WeakPolarHBondContact CD-ND1 3.38Å; P78-H81 WeakPolarHBondContact CG-ND1 3.43Å; P78-H81 PolarHBondContact O-N 2.89Å; Y79-H81 PolarHBondContact O-N 3Å |
| 82 | L | 86.8 | Confident | 84.4 | Confident | 120 Ų | 120 | 114.3 Ų | 114.3 | 63% | 0.628 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -89.8 | -39.1 | -177.9 | -65 | 176.3 | 0 | 0 | 0 | 112.4 | L77 Y79 K80 | L77-L82 HydrophobicContact CB-CD2 4.46Å; L77-L82 HydrophobicContact CD2-CD2 4.07Å; Y79-L82 PolarHBondContact O-N 3.05Å; K80-L82 VanDerWaalsContact C-N 3.34Å; K80-L82 PolarHBondContact O-N 3.49Å |
| 83 | I | 85.4 | Confident | 84.4 | Confident | 88 Ų | 88 | 113.9 Ų | 113.9 | 45% | 0.451 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -118.4 | -19.2 | -166.7 | -68.2 | 163.3 | 0 | 0 | 0 | 112.8 | Y79 H85 | Y79-I83 HydrophobicContact CD2-CD1 3.55Å; Y79-I83 HydrophobicContact CE1-CB 4Å; Y79-I83 HydrophobicContact CE1-CD1 4.45Å; Y79-I83 HydrophobicContact CE1-CG2 4.11Å; Y79-I83 HydrophobicContact CE2-CB 4.16Å; Y79-I83 HydrophobicContact CE2-CD1 3.06Å; Y79-I83 HydrophobicContact CE2-CG1 4.13Å; Y79-I83 HydrophobicContact CE2-CG2 4.4Å; Y79-I83 HydrophobicContact CG-CD1 4.43Å; Y79-I83 PolarHBondContact O-N 3.02Å; Y79-I83 WeakPolarHBondContact OH-CG2 3.47Å; I83-H85 PolarHBondContact O-CD2 3.23Å; I83-H85 PolarHBondContact O-N 3.2Å |
| 84 | T | 86.1 | Confident | 84.6 | Confident | 50 Ų | 50 | 109.4 Ų | 109.4 | 31% | 0.307 | 56% | 0.556 | S | S | . | * | trans | -77.8 | 120.4 | 178.1 | 72 | 0 | 0 | 0 | 0 | 110.8 | K80 | K80-T84 HydrophobicContact CG-CG2 4.04Å; K80-T84 VanDerWaalsContact O-CB 3.27Å; K80-T84 WeakPolarHBondContact O-CB 3.37Å; K80-T84 WeakPolarHBondContact O-CG2 3.27Å; K80-T84 PolarHBondContact O-N 2.55Å; K80-T84 PolarHBondContact O-OG1 3.2Å | ||
| 85 | H | 81.1 | Confident | 84.6 | Confident | 140 Ų | 140 | 104.5 Ų | 104.5 | 65% | 0.648 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -82.7 | 135 | 169.1 | -65.1 | -83.1 | 0 | 0 | 0 | 108.6 | I83 Q87 E88 | I83-H85 PolarHBondContact O-CD2 3.23Å; I83-H85 PolarHBondContact O-N 3.2Å; H85-Q87 PolarHBondContact O-N 3.42Å; H85-E88 WeakPolarHBondContact O-CG 3.35Å; H85-E88 PolarHBondContact O-N 3.3Å; H85-E88 VanDerWaalsContact O-N 3.16Å |
| 86 | H | 82.4 | Confident | 84.7 | Confident | 172 Ų | 172 | 102.2 Ų | 102.2 | 80% | 0.796 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 24.8 | 171.4 | -50.9 | -68.1 | 0 | 0 | 0 | 116.7 | E88 | H86-E88 HydrophobicContact CB-CG 4.25Å; H86-E88 PolarHBondContact O-N 3.16Å |
| 87 | Q | 81.6 | Confident | 84.6 | Confident | 167 Ų | 167 | 105 Ų | 105 | 78% | 0.78 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 25.7 | -178.2 | -50.7 | 179.6 | 9.2 | 0 | 0 | 114 | H85 | H85-Q87 PolarHBondContact O-N 3.42Š|
| 88 | E | 81.6 | Confident | 84.6 | Confident | 62 Ų | 62 | 106.4 Ų | 106.4 | 29% | 0.29 | 53% | 0.525 | S | S | . | . | trans | -67.8 | 138.1 | -179.2 | -60.4 | -161.5 | 140 | 0 | 0 | 111.8 | H85 H86 R92 Y93 | H85-E88 WeakPolarHBondContact O-CG 3.35Å; H85-E88 PolarHBondContact O-N 3.3Å; H85-E88 VanDerWaalsContact O-N 3.16Å; H86-E88 HydrophobicContact CB-CG 4.25Å; H86-E88 PolarHBondContact O-N 3.16Å; E88-R92 IonicContact OE1-CZ 3.86Å; E88-R92 IonicContact OE1-NH1 2.79Å; E88-R92 PolarHBondContact OE1-NH1 2.92Å; E88-Y93 VanDerWaalsContact CD-OH 3.3Å; E88-Y93 PolarHBondContact OE1-OH 3.05Å; E88-Y93 VanDerWaalsContact OE2-CE2 3.31Å; E88-Y93 WeakPolarHBondContact OE2-CE2 3.31Å; E88-Y93 PolarHBondContact OE2-OH 2.79Å; E88-Y93 VanDerWaalsContact OE2-OH 3.05Å | ||
| 89 | P | 83 | Confident | 84.7 | Confident | 66 Ų | 66 | 104 Ų | 104 | 43% | 0.429 | 51% | 0.509 | S | S | . | . | trans | -58 | 138.6 | 170.5 | -23.1 | 31.8 | 0 | 0 | 0 | 111 | H91 R92 | P89-H91 PolarHBondContact O-N 3.25Å; P89-R92 HydrophobicContact CB-CB 4.34Å; P89-R92 VanDerWaalsContact O-CB 3.24Å; P89-R92 WeakPolarHBondContact O-CB 3.24Å; P89-R92 PolarHBondContact O-N 3.18Å | ||
| 90 | P | 79.1 | Confident | 84.7 | Confident | 126 Ų | 126 | 97.4 Ų | 97.4 | 82% | 0.818 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -24.6 | -177 | 24.9 | -33.5 | 0 | 0 | 0 | 113.2 | ||
| 91 | H | 83.2 | Confident | 84.7 | Confident | 131 Ų | 131 | 98.1 Ų | 98.1 | 61% | 0.606 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 34.1 | -179 | 52 | -90.9 | 0 | 0 | 0 | 111.9 | P89 L94 | P89-H91 PolarHBondContact O-N 3.25Å; H91-L94 HydrophobicContact CB-CD2 4.41Å |
| 92 | R | 83.3 | Confident | 84.8 | Confident | 94 Ų | 94 | 99 Ų | 99 | 36% | 0.355 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -76.6 | -37.4 | -178.5 | -174 | 176 | -168.1 | 178 | 6.1 | 113.1 | E88 P89 L134 | E88-R92 IonicContact OE1-CZ 3.86Å; E88-R92 IonicContact OE1-NH1 2.79Å; E88-R92 PolarHBondContact OE1-NH1 2.92Å; P89-R92 HydrophobicContact CB-CB 4.34Å; P89-R92 VanDerWaalsContact O-CB 3.24Å; P89-R92 WeakPolarHBondContact O-CB 3.24Å; P89-R92 PolarHBondContact O-N 3.18Å; R92-L134 HydrophobicContact CG-CD2 3.35Å |
| 93 | Y | 86.5 | Confident | 84.7 | Confident | 97 Ų | 97 | 96 Ų | 96 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | trans | -113 | 92.5 | -173.3 | -50.5 | -61.8 | 0 | 0 | 0 | 110.7 | E88 P132 L134 | E88-Y93 VanDerWaalsContact CD-OH 3.3Å; E88-Y93 PolarHBondContact OE1-OH 3.05Å; E88-Y93 VanDerWaalsContact OE2-CE2 3.31Å; E88-Y93 WeakPolarHBondContact OE2-CE2 3.31Å; E88-Y93 PolarHBondContact OE2-OH 2.79Å; E88-Y93 VanDerWaalsContact OE2-OH 3.05Å; Y93-P132 HydrophobicContact CD1-CB 3.63Å; Y93-P132 HydrophobicContact CD1-CG 3.3Å; Y93-P132 HydrophobicContact CD2-CG 4.47Å; Y93-P132 HydrophobicContact CE1-CB 4.13Å; Y93-P132 HydrophobicContact CE1-CG 3.32Å; Y93-P132 HydrophobicContact CE2-CG 4.49Å; Y93-P132 HydrophobicContact CG-CB 4.2Å; Y93-P132 HydrophobicContact CG-CG 3.91Å; Y93-L134 HydrophobicContact CD1-CD2 3.68Å; Y93-L134 HydrophobicContact CE1-CD2 3.44Å; Y93-L134 VanDerWaalsContact CE1-CD2 3.44Å | ||
| 94 | L | 89.3 | Confident | 84.1 | Confident | 89 Ų | 89 | 102.1 Ų | 102.1 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | trans | -107.9 | -0.1 | -174.4 | -61.8 | 175 | 0 | 0 | 0 | 113.5 | H91 P137 | H91-L94 HydrophobicContact CB-CD2 4.41Å; L94-P137 HydrophobicContact CB-CB 3.99Å; L94-P137 HydrophobicContact CB-CG 4.25Å; L94-P137 HydrophobicContact CD1-CG 4.12Å | ||
| 95 | I | 87.8 | Confident | 83.5 | Confident | 22 Ų | 22 | 103.3 Ų | 103.3 | 11% | 0.113 | 49% | 0.492 | C | S | . | . | trans | -110.4 | 127.9 | -178.7 | -65.4 | 170.4 | 0 | 0 | 0 | 108.3 | D99 D100 L133 A135 | I95-D99 HydrophobicContact CG2-CB 4.18Å; I95-D100 HydrophobicContact CG2-CB 4.1Å; I95-L133 HydrophobicContact CD1-CB 4.41Å; I95-A135 HydrophobicContact CD1-CB 3.34Å | ||
| 96 | S | 87.3 | Confident | 82.7 | Confident | 64 Ų | 64 | 98.2 Ų | 98.2 | 45% | 0.448 | 48% | 0.477 | S | S | . | . | trans | -83.2 | 158.7 | 173.3 | 70.1 | 0 | 0 | 0 | 0 | 110.9 | Y98 D99 D100 | S96-Y98 PolarHBondContact O-N 3.26Å; S96-D99 PolarHBondContact O-N 2.88Å; S96-D99 VanDerWaalsContact O-N 3.13Å; S96-D99 WeakPolarHBondContact OG-CB 3.22Å; S96-D99 PolarHBondContact OG-N 3.34Å; S96-D99 VanDerWaalsContact OG-N 3.16Å; S96-D100 PolarHBondContact O-N 3.49Å | ||
| 97 | T | 84.7 | Confident | 81.9 | Confident | 118 Ų | 118 | 96.9 Ų | 96.9 | 72% | 0.724 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60 | -33.5 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | H101 | T97-H101 WeakPolarHBondContact O-CB 3.29Å; T97-H101 PolarHBondContact O-N 2.95Å; T97-H101 VanDerWaalsContact O-N 3.08Å |
| 98 | Y | 87.8 | Confident | 81.3 | Confident | 145 Ų | 145 | 92.2 Ų | 92.2 | 57% | 0.569 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.4 | -51.7 | 172.5 | 179.1 | -90.5 | 0 | 0 | 0 | 111 | S96 D100 H101 Y102 | S96-Y98 PolarHBondContact O-N 3.26Å; Y98-D100 PolarHBondContact O-N 3.02Å; Y98-H101 PolarHBondContact O-N 3.36Å; Y98-Y102 HydrophobicContact CD1-CD2 4.18Å; Y98-Y102 AromaticContact CD2-CD2 3.8Å; Y98-Y102 HydrophobicContact CD2-CD2 3.8Å; Y98-Y102 AromaticContact CD2-CE2 3.58Å; Y98-Y102 HydrophobicContact CD2-CE2 3.58Å; Y98-Y102 AromaticContact CE1-CD2 3.91Å; Y98-Y102 HydrophobicContact CE1-CD2 3.91Å; Y98-Y102 HydrophobicContact CE1-CE2 4.26Å; Y98-Y102 HydrophobicContact CE1-CG 4.38Å; Y98-Y102 AromaticContact CE2-CD2 3.53Å; Y98-Y102 HydrophobicContact CE2-CD2 3.53Å; Y98-Y102 AromaticContact CE2-CE2 3.06Å; Y98-Y102 HydrophobicContact CE2-CE2 3.06Å; Y98-Y102 AromaticContact CE2-CZ 3.77Å; Y98-Y102 HydrophobicContact CG-CD2 4.12Å; Y98-Y102 HydrophobicContact CG-CE2 4.35Å; Y98-Y102 AromaticContact CZ-CD2 3.57Å; Y98-Y102 AromaticContact CZ-CE2 3.45Å; Y98-Y102 VanDerWaalsContact CZ-CE2 3.45Å; Y98-Y102 AromaticContact CZ-CZ 3.95Å; Y98-Y102 WeakPolarHBondContact O-CD2 3.29Å; Y98-Y102 PolarHBondContact O-N 2.87Å |
| 99 | D | 88.1 | Confident | 80.7 | Confident | 20 Ų | 20 | 94.5 Ų | 94.5 | 11% | 0.107 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | -178.9 | -170.2 | 67.6 | 0 | 0 | 0 | 112 | I95 S96 H101 Y102 N103 H105 T138 | I95-D99 HydrophobicContact CG2-CB 4.18Å; S96-D99 PolarHBondContact O-N 2.88Å; S96-D99 VanDerWaalsContact O-N 3.13Å; S96-D99 WeakPolarHBondContact OG-CB 3.22Å; S96-D99 PolarHBondContact OG-N 3.34Å; S96-D99 VanDerWaalsContact OG-N 3.16Å; D99-H101 PolarHBondContact O-N 3.36Å; D99-Y102 PolarHBondContact O-N 3.31Å; D99-N103 VanDerWaalsContact CG-ND2 3.34Å; D99-N103 WeakPolarHBondContact O-CB 3.45Å; D99-N103 PolarHBondContact O-N 3.19Å; D99-N103 PolarHBondContact O-ND2 3.35Å; D99-N103 PolarHBondContact OD1-ND2 3.43Å; D99-H105 IonicContact OD2-CD2 2.8Å; D99-H105 IonicContact OD2-CE1 3.34Å; D99-H105 IonicContact OD2-NE2 2.8Å; D99-H105 PolarHBondContact OD2-NE2 2.73Å; D99-T138 WeakPolarHBondContact OD1-CB 3.46Å; D99-T138 PolarHBondContact OD1-OG1 2.81Å; D99-T138 WeakPolarHBondContact OD2-CB 3.49Å; D99-T138 PolarHBondContact OD2-OG1 3.44Å |
| 100 | D | 84.9 | Confident | 80.3 | Confident | 20 Ų | 20 | 94.4 Ų | 94.4 | 11% | 0.107 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 173.8 | 177.8 | 40.1 | 0 | 0 | 0 | 112.7 | I95 S96 Y98 R104 K128 L133 | I95-D100 HydrophobicContact CG2-CB 4.1Å; S96-D100 PolarHBondContact O-N 3.49Å; Y98-D100 PolarHBondContact O-N 3.02Å; D100-R104 WeakPolarHBondContact O-CA 3.4Å; D100-R104 PolarHBondContact O-N 3.23Å; D100-K128 WeakPolarHBondContact OD2-CE 3.2Å; D100-K128 IonicContact OD2-NZ 2.7Å; D100-K128 PolarHBondContact OD2-NZ 3.38Å; D100-L133 HydrophobicContact CB-CD1 4.25Å; D100-L133 WeakPolarHBondContact OD1-CD1 3.08Å |
| 101 | H | 83.6 | Confident | 80 | Confident | 141 Ų | 141 | 90 Ų | 90 | 65% | 0.653 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | -178.6 | -169.4 | 72.7 | 0 | 0 | 0 | 112.6 | T97 Y98 D99 | T97-H101 WeakPolarHBondContact O-CB 3.29Å; T97-H101 PolarHBondContact O-N 2.95Å; T97-H101 VanDerWaalsContact O-N 3.08Å; Y98-H101 PolarHBondContact O-N 3.36Å; D99-H101 PolarHBondContact O-N 3.36Å |
| 102 | Y | 86.3 | Confident | 79.5 | Confident | 148 Ų | 148 | 86 Ų | 86 | 58% | 0.58 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -78.9 | -43.8 | -175.7 | -85.5 | -91.5 | 0 | 0 | 0 | 113 | Y98 D99 R104 | Y98-Y102 HydrophobicContact CD1-CD2 4.18Å; Y98-Y102 AromaticContact CD2-CD2 3.8Å; Y98-Y102 HydrophobicContact CD2-CD2 3.8Å; Y98-Y102 AromaticContact CD2-CE2 3.58Å; Y98-Y102 HydrophobicContact CD2-CE2 3.58Å; Y98-Y102 AromaticContact CE1-CD2 3.91Å; Y98-Y102 HydrophobicContact CE1-CD2 3.91Å; Y98-Y102 HydrophobicContact CE1-CE2 4.26Å; Y98-Y102 HydrophobicContact CE1-CG 4.38Å; Y98-Y102 AromaticContact CE2-CD2 3.53Å; Y98-Y102 HydrophobicContact CE2-CD2 3.53Å; Y98-Y102 AromaticContact CE2-CE2 3.06Å; Y98-Y102 HydrophobicContact CE2-CE2 3.06Å; Y98-Y102 AromaticContact CE2-CZ 3.77Å; Y98-Y102 HydrophobicContact CG-CD2 4.12Å; Y98-Y102 HydrophobicContact CG-CE2 4.35Å; Y98-Y102 AromaticContact CZ-CD2 3.57Å; Y98-Y102 AromaticContact CZ-CE2 3.45Å; Y98-Y102 VanDerWaalsContact CZ-CE2 3.45Å; Y98-Y102 AromaticContact CZ-CZ 3.95Å; Y98-Y102 WeakPolarHBondContact O-CD2 3.29Å; Y98-Y102 PolarHBondContact O-N 2.87Å; D99-Y102 PolarHBondContact O-N 3.31Å; Y102-R104 VanDerWaalsContact C-N 3.27Å; Y102-R104 PolarHBondContact O-N 3.4Å |
| 103 | N | 85 | Confident | 79 | Confident | 57 Ų | 57 | 85.7 Ų | 85.7 | 31% | 0.305 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -82.2 | -8.7 | -179.9 | -66.3 | -43.5 | 0 | 0 | 0 | 113.2 | D99 H105 Y140 | D99-N103 VanDerWaalsContact CG-ND2 3.34Å; D99-N103 WeakPolarHBondContact O-CB 3.45Å; D99-N103 PolarHBondContact O-N 3.19Å; D99-N103 PolarHBondContact O-ND2 3.35Å; D99-N103 PolarHBondContact OD1-ND2 3.43Å; N103-H105 VanDerWaalsContact C-N 3.25Å; N103-H105 PolarHBondContact O-N 3.19Å; N103-Y140 PolarHBondContact ND2-OH 2.96Å; N103-Y140 PolarHBondContact OD1-OH 3.35Å |
| 104 | R | 74.3 | Confident | 78.8 | Confident | 215 Ų | 215 | 87 Ų | 87 | 81% | 0.811 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 48.2 | -178.7 | -55.7 | 179.2 | 177 | -179.8 | -1.1 | 110.8 | D100 Y102 G106 | D100-R104 WeakPolarHBondContact O-CA 3.4Å; D100-R104 PolarHBondContact O-N 3.23Å; Y102-R104 VanDerWaalsContact C-N 3.27Å; Y102-R104 PolarHBondContact O-N 3.4Å; R104-G106 PolarHBondContact O-N 3.1Å |
| 105 | H | 73.4 | Confident | 78.7 | Confident | 75 Ų | 75 | 88.4 Ų | 88.4 | 35% | 0.347 | 46% | 0.455 | S | S | . | . | trans | -53.4 | -14.6 | -176.7 | -77.4 | -52.1 | 0 | 0 | 0 | 114.3 | D99 N103 L133 T138 | D99-H105 IonicContact OD2-CD2 2.8Å; D99-H105 IonicContact OD2-CE1 3.34Å; D99-H105 IonicContact OD2-NE2 2.8Å; D99-H105 PolarHBondContact OD2-NE2 2.73Å; N103-H105 VanDerWaalsContact C-N 3.25Å; N103-H105 PolarHBondContact O-N 3.19Å; H105-L133 HydrophobicContact CB-CD1 3.81Å; H105-T138 PolarHBondContact CE1-OG1 2.8Å; H105-T138 PolarHBondContact NE2-OG1 3.34Å | ||
| 106 | G | 63.8 | Low | 78.8 | Confident | 33 Ų | 33 | 90.4 Ų | 90.4 | 34% | 0.34 | 47% | 0.469 | S | S | . | . | trans | 139.9 | 111.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | R104 N108 | R104-G106 PolarHBondContact O-N 3.1Å; G106-N108 PolarHBondContact O-N 3.16Å | ||
| 107 | Y | 64.4 | Low | 79 | Confident | 144 Ų | 144 | 93.6 Ų | 93.6 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | trans | -51.2 | 113.5 | 159.8 | 173.8 | -102.8 | 0 | 0 | 0 | 107.2 | P109 | Y107-P109 HydrophobicContact CD1-CB 4.22Å; Y107-P109 HydrophobicContact CE1-CB 4.1Å; Y107-P109 WeakPolarHBondContact O-CD 3.43Å; Y107-P109 VanDerWaalsContact O-N 3.17Å | ||
| 108 | N | 69.7 | Low | 79.3 | Confident | 70 Ų | 70 | 89.6 Ų | 89.6 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | trans | -71.8 | 105.2 | 173.4 | -177.8 | -10.2 | 0 | 0 | 0 | 107.1 | G106 G110 L111 | G106-N108 PolarHBondContact O-N 3.16Å; N108-G110 PolarHBondContact O-N 3.41Å; N108-G110 VanDerWaalsContact O-N 3.13Å; N108-G110 PolarHBondContact OD1-N 3.41Å; N108-G110 VanDerWaalsContact OD1-N 3.14Å; N108-L111 HydrophobicContact CB-CD1 4.22Å; N108-L111 HydrophobicContact CB-CG 4.41Å; N108-L111 WeakPolarHBondContact ND2-CD1 3.42Å; N108-L111 PolarHBondContact O-N 2.93Å | ||
| 109 | P | 69.4 | Low | 79.6 | Confident | 109 Ų | 109 | 85 Ų | 85 | 71% | 0.708 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12.6 | -173.3 | 32.5 | -35.6 | 0 | 0 | 0 | 112.4 | Y107 L111 | Y107-P109 HydrophobicContact CD1-CB 4.22Å; Y107-P109 HydrophobicContact CE1-CB 4.1Å; Y107-P109 WeakPolarHBondContact O-CD 3.43Å; Y107-P109 VanDerWaalsContact O-N 3.17Å; P109-L111 VanDerWaalsContact C-N 3.34Å |
| 110 | G | 74.1 | Confident | 79.9 | Confident | 64 Ų | 64 | 92.8 Ų | 92.8 | 66% | 0.66 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -6.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N108 | N108-G110 PolarHBondContact O-N 3.41Å; N108-G110 VanDerWaalsContact O-N 3.13Å; N108-G110 PolarHBondContact OD1-N 3.41Å; N108-G110 VanDerWaalsContact OD1-N 3.14Å |
| 111 | L | 73.1 | Confident | 80.3 | Confident | 34 Ų | 34 | 98.2 Ų | 98.2 | 18% | 0.178 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -110.6 | 134.1 | -179.2 | -65.6 | 177.1 | 0 | 0 | 0 | 111.5 | N108 P109 F131 | N108-L111 HydrophobicContact CB-CD1 4.22Å; N108-L111 HydrophobicContact CB-CG 4.41Å; N108-L111 WeakPolarHBondContact ND2-CD1 3.42Å; N108-L111 PolarHBondContact O-N 2.93Å; P109-L111 VanDerWaalsContact C-N 3.34Å; L111-F131 HydrophobicContact CD1-CB 3.75Å; L111-F131 HydrophobicContact CD1-CD2 3.84Å; L111-F131 HydrophobicContact CD1-CG 4.06Å; L111-F131 HydrophobicContact CD2-CD2 3.81Å; L111-F131 HydrophobicContact CD2-CE2 3.97Å; L111-F131 HydrophobicContact CD2-CG 4.49Å; L111-F131 HydrophobicContact CG-CD2 4.48Å |
| 112 | P | 72.1 | Confident | 80.8 | Confident | 48 Ų | 48 | 97.7 Ų | 97.7 | 31% | 0.312 | 50% | 0.502 | S | S | . | . | trans | -64.6 | 137.5 | 174 | 27.3 | -32.6 | 0 | 0 | 0 | 109.8 | L114 | P112-L114 VanDerWaalsContact C-N 3.25Å; P112-L114 PolarHBondContact O-N 3.47Å | ||
| 113 | P | 73.8 | Confident | 81.2 | Confident | 86 Ų | 86 | 94.2 Ų | 94.2 | 56% | 0.558 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -68 | -27.2 | -177.3 | 26.2 | -33.6 | 0 | 0 | 0 | 112.7 | ||
| 114 | L | 81.8 | Confident | 81.4 | Confident | 126 Ų | 126 | 98.7 Ų | 98.7 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -123.8 | 149 | 179.7 | -63.9 | 175.4 | 0 | 0 | 0 | 110.4 | P112 T116 | P112-L114 VanDerWaalsContact C-N 3.25Å; P112-L114 PolarHBondContact O-N 3.47Å; L114-T116 PolarHBondContact O-N 2.84Å |
| 115 | R | 88.1 | Confident | 82.1 | Confident | 117 Ų | 117 | 90.7 Ų | 90.7 | 44% | 0.442 | 48% | 0.478 | S | S | . | . | trans | -57.6 | 132.3 | 171.5 | 173.1 | 165.2 | -75.6 | 164.6 | 5.2 | 110.8 | W124 L125 E127 D130 | R115-W124 HydrophobicContact CG-CB 3.9Å; R115-W124 HydrophobicContact CG-CD2 4.08Å; R115-W124 HydrophobicContact CG-CE3 3.55Å; R115-W124 HydrophobicContact CG-CG 4.26Å; R115-W124 HydrophobicContact CG-CZ3 4.35Å; R115-L125 WeakPolarHBondContact CG-O 3.35Å; R115-E127 HydrophobicContact CB-CB 4.17Å; R115-D130 IonicContact CZ-OD2 3.93Å; R115-D130 IonicContact NH2-OD1 3.84Å; R115-D130 PolarHBondContact NH2-OD1 3.34Å; R115-D130 IonicContact NH2-OD2 3.51Å; R115-D130 PolarHBondContact NH2-OD2 2.85Å | ||
| 116 | T | 89.8 | Confident | 82.6 | Confident | 64 Ų | 64 | 89.4 Ų | 89.4 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 140.1 | -178.6 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | L114 W124 L125 | L114-T116 PolarHBondContact O-N 2.84Å; T116-W124 VanDerWaalsContact C-CE3 3.46Å; T116-L125 PolarHBondContact O-N 2.85Å |
| 117 | W | 91.8 | Very high | 83.5 | Confident | 131 Ų | 131 | 90.5 Ų | 90.5 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.5 | 176.4 | 177.3 | -107 | 0 | 0 | 0 | 109.9 | L122 L123 W124 | W117-L122 HydrophobicContact CH2-CB 4.44Å; W117-L122 WeakPolarHBondContact CH2-O 3.42Å; W117-L122 HydrophobicContact CZ2-CB 4.29Å; W117-L122 HydrophobicContact CZ2-CD2 4.17Å; W117-L123 VanDerWaalsContact CE3-C 3.46Å; W117-L123 VanDerWaalsContact CZ3-C 3.5Å; W117-W124 HydrophobicContact CB-CD2 4.29Å; W117-W124 HydrophobicContact CB-CE3 3.81Å; W117-W124 HydrophobicContact CB-CH2 3.89Å; W117-W124 HydrophobicContact CB-CZ2 4.31Å; W117-W124 HydrophobicContact CB-CZ3 3.63Å; W117-W124 AromaticContact CE3-CD1 3.75Å; W117-W124 AromaticContact CE3-CD2 3.77Å; W117-W124 HydrophobicContact CE3-CD2 3.77Å; W117-W124 AromaticContact CE3-CE2 3.74Å; W117-W124 HydrophobicContact CE3-CE3 4.43Å; W117-W124 AromaticContact CE3-CG 3.8Å; W117-W124 HydrophobicContact CE3-CG 3.8Å; W117-W124 HydrophobicContact CE3-CZ2 4.39Å; W117-W124 AromaticContact CE3-NE1 3.69Å; W117-W124 AromaticContact CZ3-CD1 3.81Å; W117-W124 HydrophobicContact CZ3-CG 4.23Å; W117-W124 AromaticContact CZ3-NE1 3.92Å; W117-W124 VanDerWaalsContact N-CE3 3.33Å; W117-W124 VanDerWaalsContact N-CZ3 3.31Å |
| 118 | N | 90.5 | Very high | 84.2 | Confident | 34 Ų | 34 | 86.6 Ų | 86.6 | 18% | 0.182 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 107.9 | 173.8 | -174.2 | -33.3 | 0 | 0 | 0 | 110 | Q120 K121 L122 L123 L125 | N118-Q120 VanDerWaalsContact C-N 3.3Å; N118-Q120 PolarHBondContact O-N 3.42Å; N118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; N118-Q120 PolarHBondContact OD1-N 2.89Å; N118-K121 HydrophobicContact CB-CB 4.35Å; N118-K121 PolarHBondContact O-N 2.96Å; N118-K121 PolarHBondContact OD1-N 3.29Å; N118-L122 WeakPolarHBondContact O-CA 3.46Å; N118-L122 PolarHBondContact O-N 2.87Å; N118-L123 PolarHBondContact N-O 3.15Å; N118-L123 PolarHBondContact O-N 3.5Å; N118-L125 HydrophobicContact CB-CD1 4.02Å; N118-L125 HydrophobicContact CB-CD2 4.18Å; N118-L125 HydrophobicContact CB-CG 3.85Å |
| 119 | G | 93.9 | Very high | 84.7 | Confident | 49 Ų | 49 | 86.5 Ų | 86.5 | 51% | 0.505 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L122 | G119-L122 WeakPolarHBondContact O-CD2 3.2Š|
| 120 | Q | 94.9 | Very high | 85.4 | Confident | 184 Ų | 184 | 84.6 Ų | 84.6 | 86% | 0.86 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -38.2 | 177.6 | -64.9 | 177.4 | -17.3 | 0 | 0 | 111.8 | N118 | N118-Q120 VanDerWaalsContact C-N 3.3Å; N118-Q120 PolarHBondContact O-N 3.42Å; N118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; N118-Q120 PolarHBondContact OD1-N 2.89Å |
| 121 | K | 92.4 | Very high | 85.8 | Confident | 134 Ų | 134 | 86.3 Ų | 86.3 | 58% | 0.583 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -9.1 | -179.6 | -64.1 | -175.3 | 178.2 | -178.9 | 0 | 113.4 | N118 L123 | N118-K121 HydrophobicContact CB-CB 4.35Å; N118-K121 PolarHBondContact O-N 2.96Å; N118-K121 PolarHBondContact OD1-N 3.29Å; K121-L123 HydrophobicContact CB-CD1 4.42Å; K121-L123 HydrophobicContact CB-CD2 3.68Å; K121-L123 HydrophobicContact CB-CG 3.64Å; K121-L123 HydrophobicContact CD-CD2 4.38Å; K121-L123 PolarHBondContact O-N 3.01Å |
| 122 | L | 94.8 | Very high | 86.1 | Confident | 129 Ų | 129 | 87.5 Ų | 87.5 | 68% | 0.675 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.6 | -174.8 | -61.1 | 172 | 0 | 0 | 0 | 112.6 | W117 N118 G119 | W117-L122 HydrophobicContact CH2-CB 4.44Å; W117-L122 WeakPolarHBondContact CH2-O 3.42Å; W117-L122 HydrophobicContact CZ2-CB 4.29Å; W117-L122 HydrophobicContact CZ2-CD2 4.17Å; N118-L122 WeakPolarHBondContact O-CA 3.46Å; N118-L122 PolarHBondContact O-N 2.87Å; G119-L122 WeakPolarHBondContact O-CD2 3.2Å |
| 123 | L | 93.7 | Very high | 86.6 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 152.2 | -180 | 62.7 | 89.2 | 0 | 0 | 0 | 111.4 | W117 N118 K121 L125 | W117-L123 VanDerWaalsContact CE3-C 3.46Å; W117-L123 VanDerWaalsContact CZ3-C 3.5Å; N118-L123 PolarHBondContact N-O 3.15Å; N118-L123 PolarHBondContact O-N 3.5Å; K121-L123 HydrophobicContact CB-CD1 4.42Å; K121-L123 HydrophobicContact CB-CD2 3.68Å; K121-L123 HydrophobicContact CB-CG 3.64Å; K121-L123 HydrophobicContact CD-CD2 4.38Å; K121-L123 PolarHBondContact O-N 3.01Å; L123-L125 HydrophobicContact CD1-CD2 3.84Å; L123-L125 HydrophobicContact CD1-CG 4.5Å; L123-L125 PolarHBondContact O-N 3.14Å |
| 124 | W | 90.3 | Very high | 87.1 | Confident | 151 Ų | 151 | 88 Ų | 88 | 57% | 0.572 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 121.2 | 167.2 | -73.8 | 106 | 0 | 0 | 0 | 109.1 | R115 T116 W117 | R115-W124 HydrophobicContact CG-CB 3.9Å; R115-W124 HydrophobicContact CG-CD2 4.08Å; R115-W124 HydrophobicContact CG-CE3 3.55Å; R115-W124 HydrophobicContact CG-CG 4.26Å; R115-W124 HydrophobicContact CG-CZ3 4.35Å; T116-W124 VanDerWaalsContact C-CE3 3.46Å; W117-W124 HydrophobicContact CB-CD2 4.29Å; W117-W124 HydrophobicContact CB-CE3 3.81Å; W117-W124 HydrophobicContact CB-CH2 3.89Å; W117-W124 HydrophobicContact CB-CZ2 4.31Å; W117-W124 HydrophobicContact CB-CZ3 3.63Å; W117-W124 AromaticContact CE3-CD1 3.75Å; W117-W124 AromaticContact CE3-CD2 3.77Å; W117-W124 HydrophobicContact CE3-CD2 3.77Å; W117-W124 AromaticContact CE3-CE2 3.74Å; W117-W124 HydrophobicContact CE3-CE3 4.43Å; W117-W124 AromaticContact CE3-CG 3.8Å; W117-W124 HydrophobicContact CE3-CG 3.8Å; W117-W124 HydrophobicContact CE3-CZ2 4.39Å; W117-W124 AromaticContact CE3-NE1 3.69Å; W117-W124 AromaticContact CZ3-CD1 3.81Å; W117-W124 HydrophobicContact CZ3-CG 4.23Å; W117-W124 AromaticContact CZ3-NE1 3.92Å; W117-W124 VanDerWaalsContact N-CE3 3.33Å; W117-W124 VanDerWaalsContact N-CZ3 3.31Å |
| 125 | L | 87.8 | Confident | 87.2 | Confident | 47 Ų | 47 | 83.8 Ų | 83.8 | 25% | 0.246 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 141.1 | 174.9 | -68.7 | 175.3 | 0 | 0 | 0 | 109.9 | R115 T116 N118 L123 | R115-L125 WeakPolarHBondContact CG-O 3.35Å; T116-L125 PolarHBondContact O-N 2.85Å; N118-L125 HydrophobicContact CB-CD1 4.02Å; N118-L125 HydrophobicContact CB-CD2 4.18Å; N118-L125 HydrophobicContact CB-CG 3.85Å; L123-L125 HydrophobicContact CD1-CD2 3.84Å; L123-L125 HydrophobicContact CD1-CG 4.5Å; L123-L125 PolarHBondContact O-N 3.14Å |
| 126 | P | 85.2 | Confident | 87.1 | Confident | 49 Ų | 49 | 83.2 Ų | 83.2 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 145.3 | 177.5 | 23.1 | -31.5 | 0 | 0 | 0 | 111.4 | D130 F131 | P126-D130 WeakPolarHBondContact CA-OD2 3.09Å; P126-D130 HydrophobicContact CB-CB 3.66Å; P126-D130 WeakPolarHBondContact CB-OD2 3.48Å; P126-F131 HydrophobicContact CB-CD2 4.33Å; P126-F131 HydrophobicContact CB-CE2 3.49Å; P126-F131 VanDerWaalsContact CB-CE2 3.49Å; P126-F131 HydrophobicContact CB-CZ 3.85Å; P126-F131 HydrophobicContact CG-CE2 3.43Å; P126-F131 VanDerWaalsContact CG-CE2 3.43Å; P126-F131 HydrophobicContact CG-CZ 3.46Å; P126-F131 VanDerWaalsContact CG-CZ 3.46Å |
| 127 | E | 82.8 | Confident | 87.1 | Confident | 56 Ų | 56 | 83 Ų | 83 | 26% | 0.262 | 44% | 0.436 | S | S | . | . | trans | -97.1 | 179.5 | 178.2 | 63.6 | 176 | -154.7 | 0 | 0 | 111.4 | R115 S129 D130 F131 | R115-E127 HydrophobicContact CB-CB 4.17Å; E127-S129 VanDerWaalsContact CD-OG 3.32Å; E127-S129 VanDerWaalsContact CG-OG 3.24Å; E127-S129 WeakPolarHBondContact CG-OG 3.46Å; E127-S129 PolarHBondContact O-N 3.2Å; E127-S129 WeakPolarHBondContact OE1-CB 3.46Å; E127-S129 PolarHBondContact OE1-OG 3.18Å; E127-D130 PolarHBondContact N-OD2 3.13Å; E127-D130 WeakPolarHBondContact O-CB 3.26Å; E127-D130 PolarHBondContact O-N 3.21Å; E127-D130 VanDerWaalsContact O-N 3.08Å; E127-F131 WeakPolarHBondContact O-CD2 3.4Å | ||
| 128 | K | 79.1 | Confident | 86.8 | Confident | 62 Ų | 62 | 78.9 Ų | 78.9 | 27% | 0.27 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -51.6 | -39.4 | 176 | -175.2 | -173.3 | 171.8 | -166.5 | 0 | 112.8 | D100 D130 F131 | D100-K128 WeakPolarHBondContact OD2-CE 3.2Å; D100-K128 IonicContact OD2-NZ 2.7Å; D100-K128 PolarHBondContact OD2-NZ 3.38Å; K128-D130 VanDerWaalsContact C-N 3.25Å; K128-D130 PolarHBondContact O-N 3.35Å; K128-F131 PolarHBondContact O-N 3.08Å |
| 129 | S | 78.9 | Confident | 86.5 | Confident | 68 Ų | 68 | 80.2 Ų | 80.2 | 48% | 0.476 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -66.6 | -26.6 | -177.5 | 76 | 0 | 0 | 0 | 0 | 113.3 | E127 F131 | E127-S129 VanDerWaalsContact CD-OG 3.32Å; E127-S129 VanDerWaalsContact CG-OG 3.24Å; E127-S129 WeakPolarHBondContact CG-OG 3.46Å; E127-S129 PolarHBondContact O-N 3.2Å; E127-S129 WeakPolarHBondContact OE1-CB 3.46Å; E127-S129 PolarHBondContact OE1-OG 3.18Å; S129-F131 PolarHBondContact O-N 3.42Å |
| 130 | D | 84.5 | Confident | 86.2 | Confident | 69 Ų | 69 | 85.9 Ų | 85.9 | 37% | 0.369 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -75.7 | -15.7 | 179.1 | -62.6 | -45 | 0 | 0 | 0 | 111.9 | R115 P126 E127 K128 P132 | R115-D130 IonicContact CZ-OD2 3.93Å; R115-D130 IonicContact NH2-OD1 3.84Å; R115-D130 PolarHBondContact NH2-OD1 3.34Å; R115-D130 IonicContact NH2-OD2 3.51Å; R115-D130 PolarHBondContact NH2-OD2 2.85Å; P126-D130 WeakPolarHBondContact CA-OD2 3.09Å; P126-D130 HydrophobicContact CB-CB 3.66Å; P126-D130 WeakPolarHBondContact CB-OD2 3.48Å; E127-D130 PolarHBondContact N-OD2 3.13Å; E127-D130 WeakPolarHBondContact O-CB 3.26Å; E127-D130 PolarHBondContact O-N 3.21Å; E127-D130 VanDerWaalsContact O-N 3.08Å; K128-D130 VanDerWaalsContact C-N 3.25Å; K128-D130 PolarHBondContact O-N 3.35Å; D130-P132 VanDerWaalsContact O-CD 3.29Å; D130-P132 WeakPolarHBondContact O-CD 3.48Å |
| 131 | F | 81.8 | Confident | 86.1 | Confident | 100 Ų | 100 | 78.3 Ų | 78.3 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -116.2 | 82.7 | 178.2 | -63 | -73.7 | 0 | 0 | 0 | 111.4 | L111 P126 E127 K128 S129 | L111-F131 HydrophobicContact CD1-CB 3.75Å; L111-F131 HydrophobicContact CD1-CD2 3.84Å; L111-F131 HydrophobicContact CD1-CG 4.06Å; L111-F131 HydrophobicContact CD2-CD2 3.81Å; L111-F131 HydrophobicContact CD2-CE2 3.97Å; L111-F131 HydrophobicContact CD2-CG 4.49Å; L111-F131 HydrophobicContact CG-CD2 4.48Å; P126-F131 HydrophobicContact CB-CD2 4.33Å; P126-F131 HydrophobicContact CB-CE2 3.49Å; P126-F131 VanDerWaalsContact CB-CE2 3.49Å; P126-F131 HydrophobicContact CB-CZ 3.85Å; P126-F131 HydrophobicContact CG-CE2 3.43Å; P126-F131 VanDerWaalsContact CG-CE2 3.43Å; P126-F131 HydrophobicContact CG-CZ 3.46Å; P126-F131 VanDerWaalsContact CG-CZ 3.46Å; E127-F131 WeakPolarHBondContact O-CD2 3.4Å; K128-F131 PolarHBondContact O-N 3.08Å; S129-F131 PolarHBondContact O-N 3.42Å |
| 132 | P | 80.8 | Confident | 86.2 | Confident | 58 Ų | 58 | 76.7 Ų | 76.7 | 38% | 0.377 | 41% | 0.409 | S | S | . | . | trans | -59 | 142.5 | 175.2 | 25.4 | -36.5 | 0 | 0 | 0 | 111.8 | Y93 D130 | Y93-P132 HydrophobicContact CD1-CB 3.63Å; Y93-P132 HydrophobicContact CD1-CG 3.3Å; Y93-P132 HydrophobicContact CD2-CG 4.47Å; Y93-P132 HydrophobicContact CE1-CB 4.13Å; Y93-P132 HydrophobicContact CE1-CG 3.32Å; Y93-P132 HydrophobicContact CE2-CG 4.49Å; Y93-P132 HydrophobicContact CG-CB 4.2Å; Y93-P132 HydrophobicContact CG-CG 3.91Å; D130-P132 VanDerWaalsContact O-CD 3.29Å; D130-P132 WeakPolarHBondContact O-CD 3.48Å | ||
| 133 | L | 81.3 | Confident | 86 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | trans | -68.4 | 135.7 | 180 | -68.5 | -179.9 | 0 | 0 | 0 | 111.7 | I95 D100 H105 A135 | I95-L133 HydrophobicContact CD1-CB 4.41Å; D100-L133 HydrophobicContact CB-CD1 4.25Å; D100-L133 WeakPolarHBondContact OD1-CD1 3.08Å; H105-L133 HydrophobicContact CB-CD1 3.81Å; L133-A135 PolarHBondContact O-N 2.56Å | ||
| 134 | L | 85 | Confident | 86.1 | Confident | 104 Ų | 104 | 79.1 Ų | 79.1 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | trans | -95.3 | 77.3 | 175.5 | -59.9 | -175.9 | 0 | 0 | 0 | 109.7 | R92 Y93 | R92-L134 HydrophobicContact CG-CD2 3.35Å; Y93-L134 HydrophobicContact CD1-CD2 3.68Å; Y93-L134 HydrophobicContact CE1-CD2 3.44Å; Y93-L134 VanDerWaalsContact CE1-CD2 3.44Å | ||
| 135 | A | 83.8 | Confident | 86.3 | Confident | 38 Ų | 38 | 78 Ų | 78 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | trans | -136.5 | 157.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I95 L133 | I95-A135 HydrophobicContact CD1-CB 3.34Å; L133-A135 PolarHBondContact O-N 2.56Å | ||
| 136 | P | 86.5 | Confident | 86.7 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 68% | 0.682 | 41% | 0.413 | S | S | * | . | trans | -60.6 | 152.4 | 175.1 | 26.8 | -34.7 | 0 | 0 | 0 | 110.6 | ||||
| 137 | P | 88.5 | Confident | 87.1 | Confident | 59 Ų | 59 | 80.9 Ų | 80.9 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | trans | -65.4 | 141.9 | -177.8 | 24.7 | -30.9 | 0 | 0 | 0 | 111.3 | L94 N139 | L94-P137 HydrophobicContact CB-CB 3.99Å; L94-P137 HydrophobicContact CB-CG 4.25Å; L94-P137 HydrophobicContact CD1-CG 4.12Å; P137-N139 PolarHBondContact O-N 2.9Å; P137-N139 VanDerWaalsContact O-N 3.08Å | ||
| 138 | T | 86.4 | Confident | 87.7 | Confident | 44 Ų | 44 | 84.4 Ų | 84.4 | 27% | 0.27 | 44% | 0.435 | S | S | . | . | trans | -71.9 | 104.1 | 171.4 | -40.3 | 0 | 0 | 0 | 0 | 109 | D99 H105 Y140 | D99-T138 WeakPolarHBondContact OD1-CB 3.46Å; D99-T138 PolarHBondContact OD1-OG1 2.81Å; D99-T138 WeakPolarHBondContact OD2-CB 3.49Å; D99-T138 PolarHBondContact OD2-OG1 3.44Å; H105-T138 PolarHBondContact CE1-OG1 2.8Å; H105-T138 PolarHBondContact NE2-OG1 3.34Å; T138-Y140 HydrophobicContact CG2-CD1 4.22Å; T138-Y140 HydrophobicContact CG2-CD2 4.09Å; T138-Y140 HydrophobicContact CG2-CE1 3.86Å; T138-Y140 HydrophobicContact CG2-CE2 3.73Å; T138-Y140 HydrophobicContact CG2-CG 4.34Å | ||
| 139 | N | 84.7 | Confident | 88.3 | Confident | 63 Ų | 63 | 90.2 Ų | 90.2 | 34% | 0.337 | 46% | 0.456 | S | S | . | . | trans | -97.3 | -8.9 | -170.9 | -144.9 | -44.6 | 0 | 0 | 0 | 113.5 | P137 G141 L142 Y143 | P137-N139 PolarHBondContact O-N 2.9Å; P137-N139 VanDerWaalsContact O-N 3.08Å; N139-G141 PolarHBondContact O-N 3.41Å; N139-L142 WeakPolarHBondContact O-CB 3.41Å; N139-L142 PolarHBondContact O-N 3.14Å; N139-Y143 WeakPolarHBondContact ND2-CB 3.12Å; N139-Y143 VanDerWaalsContact OD1-CB 3.26Å; N139-Y143 WeakPolarHBondContact OD1-CB 3.45Å; N139-Y143 PolarHBondContact OD1-N 3.37Å | ||
| 140 | Y | 87.9 | Confident | 88.9 | Confident | 168 Ų | 168 | 95.6 Ų | 95.6 | 66% | 0.659 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.1 | 33.1 | -177.5 | -58.3 | -75.1 | 0 | 0 | 0 | 115 | N103 T138 L142 | N103-Y140 PolarHBondContact ND2-OH 2.96Å; N103-Y140 PolarHBondContact OD1-OH 3.35Å; T138-Y140 HydrophobicContact CG2-CD1 4.22Å; T138-Y140 HydrophobicContact CG2-CD2 4.09Å; T138-Y140 HydrophobicContact CG2-CE1 3.86Å; T138-Y140 HydrophobicContact CG2-CE2 3.73Å; T138-Y140 HydrophobicContact CG2-CG 4.34Å; Y140-L142 VanDerWaalsContact C-N 3.31Å; Y140-L142 PolarHBondContact O-N 3.08Å |
| 141 | G | 92.3 | Very high | 89.3 | Confident | 25 Ų | 25 | 98.5 Ų | 98.5 | 26% | 0.258 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | -1.2 | -176 | 0 | 0 | 0 | 0 | 0 | 116.9 | N139 Y143 E144 Q145 | N139-G141 PolarHBondContact O-N 3.41Å; G141-Y143 PolarHBondContact O-N 2.93Å; G141-E144 WeakPolarHBondContact O-CB 3.45Å; G141-E144 PolarHBondContact O-N 2.77Å; G141-E144 VanDerWaalsContact O-N 3.16Å; G141-Q145 WeakPolarHBondContact O-CG 3.24Å; G141-Q145 PolarHBondContact O-N 2.8Å |
| 142 | L | 93.1 | Very high | 89.4 | Confident | 100 Ų | 100 | 97.8 Ų | 97.8 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -46.4 | -179.8 | 175.6 | 66.5 | 0 | 0 | 0 | 112.1 | N139 Y140 E144 Q145 L146 | N139-L142 WeakPolarHBondContact O-CB 3.41Å; N139-L142 PolarHBondContact O-N 3.14Å; Y140-L142 VanDerWaalsContact C-N 3.31Å; Y140-L142 PolarHBondContact O-N 3.08Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 2.82Å; L142-Q145 PolarHBondContact O-N 3.32Å; L142-L146 HydrophobicContact CD1-CD1 4.21Å; L142-L146 HydrophobicContact CD1-CG 4.27Å; L142-L146 HydrophobicContact CG-CD1 4.1Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3.09Å |
| 143 | Y | 92.5 | Very high | 89.3 | Confident | 122 Ų | 122 | 100.7 Ų | 100.7 | 48% | 0.478 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 177.4 | 171.1 | -102.8 | 0 | 0 | 0 | 112.4 | N139 G141 L146 K147 | N139-Y143 WeakPolarHBondContact ND2-CB 3.12Å; N139-Y143 VanDerWaalsContact OD1-CB 3.26Å; N139-Y143 WeakPolarHBondContact OD1-CB 3.45Å; N139-Y143 PolarHBondContact OD1-N 3.37Å; G141-Y143 PolarHBondContact O-N 2.93Å; Y143-L146 PolarHBondContact O-N 2.6Å; Y143-K147 HydrophobicContact CE1-CD 4.24Å; Y143-K147 WeakPolarHBondContact O-CB 3.49Å; Y143-K147 PolarHBondContact O-N 2.8Å |
| 144 | E | 94.7 | Very high | 88.9 | Confident | 132 Ų | 132 | 108.6 Ų | 108.6 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 177.4 | -61.8 | 177.9 | 175.7 | 0 | 0 | 110.6 | G141 L142 L146 K147 Q148 | G141-E144 WeakPolarHBondContact O-CB 3.45Å; G141-E144 PolarHBondContact O-N 2.77Å; G141-E144 VanDerWaalsContact O-N 3.16Å; L142-E144 VanDerWaalsContact C-N 3.3Å; L142-E144 PolarHBondContact O-N 2.82Å; E144-L146 PolarHBondContact O-N 3.36Å; E144-K147 PolarHBondContact O-N 3.35Å; E144-Q148 VanDerWaalsContact O-CG 3.32Å; E144-Q148 WeakPolarHBondContact O-CG 3.1Å; E144-Q148 PolarHBondContact O-N 2.7Å |
| 145 | Q | 95.3 | Very high | 87.9 | Confident | 128 Ų | 128 | 107.1 Ų | 107.1 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.9 | -44.5 | 175.3 | -69.9 | 179.5 | -4.9 | 0 | 0 | 112.4 | G141 L142 Q148 R149 | G141-Q145 WeakPolarHBondContact O-CG 3.24Å; G141-Q145 PolarHBondContact O-N 2.8Å; L142-Q145 PolarHBondContact O-N 3.32Å; Q145-Q148 PolarHBondContact O-N 2.99Å; Q145-R149 WeakPolarHBondContact O-CB 3.33Å; Q145-R149 PolarHBondContact O-N 2.88Å |
| 146 | L | 94.7 | Very high | 86.9 | Confident | 55 Ų | 55 | 107.7 Ų | 107.7 | 29% | 0.288 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 177.7 | -73.3 | 175.9 | 0 | 0 | 0 | 111.8 | L142 Y143 E144 Q148 R149 W150 | L142-L146 HydrophobicContact CD1-CD1 4.21Å; L142-L146 HydrophobicContact CD1-CG 4.27Å; L142-L146 HydrophobicContact CG-CD1 4.1Å; L142-L146 WeakPolarHBondContact O-CG 3.48Å; L142-L146 PolarHBondContact O-N 3.09Å; Y143-L146 PolarHBondContact O-N 2.6Å; E144-L146 PolarHBondContact O-N 3.36Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.44Å; L146-R149 CarbonylContact O-C 3.59Å; L146-R149 WeakPolarHBondContact O-CB 3.2Å; L146-R149 PolarHBondContact O-N 3.16Å; L146-R149 VanDerWaalsContact O-N 3.15Å; L146-W150 HydrophobicContact CB-CH2 4.45Å; L146-W150 HydrophobicContact CB-CZ2 4.26Å; L146-W150 VanDerWaalsContact O-CG 3.28Å; L146-W150 PolarHBondContact O-N 3.3Å |
| 147 | K | 95 | Very high | 85.7 | Confident | 101 Ų | 101 | 110.9 Ų | 110.9 | 44% | 0.439 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.8 | -44.4 | 176.1 | -175.4 | 177.8 | -179.8 | -179.8 | 0 | 110.8 | Y143 E144 R149 W150 L151 | Y143-K147 HydrophobicContact CE1-CD 4.24Å; Y143-K147 WeakPolarHBondContact O-CB 3.49Å; Y143-K147 PolarHBondContact O-N 2.8Å; E144-K147 PolarHBondContact O-N 3.35Å; K147-R149 VanDerWaalsContact C-N 3.35Å; K147-R149 PolarHBondContact O-N 2.84Å; K147-W150 PolarHBondContact O-N 2.73Å; K147-L151 HydrophobicContact CG-CD1 4.2Å; K147-L151 WeakPolarHBondContact O-CB 3.39Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 2.99Å |
| 148 | Q | 94.8 | Very high | 84.7 | Confident | 130 Ų | 130 | 117.8 Ų | 117.8 | 61% | 0.607 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -58.6 | -47.1 | 173 | -72.8 | 175.3 | 1.3 | 0 | 0 | 111 | E144 Q145 L146 W150 L151 T152 | E144-Q148 VanDerWaalsContact O-CG 3.32Å; E144-Q148 WeakPolarHBondContact O-CG 3.1Å; E144-Q148 PolarHBondContact O-N 2.7Å; Q145-Q148 PolarHBondContact O-N 2.99Å; L146-Q148 VanDerWaalsContact C-N 3.33Å; L146-Q148 PolarHBondContact O-N 3.44Å; Q148-W150 VanDerWaalsContact C-N 3.32Å; Q148-W150 PolarHBondContact O-N 3.49Å; Q148-L151 PolarHBondContact O-N 3.48Å; Q148-T152 WeakPolarHBondContact O-CG2 3.44Å; Q148-T152 PolarHBondContact O-N 3.35Å; Q148-T152 PolarHBondContact O-OG1 3.13Å |
| 149 | R | 92.4 | Very high | 83.9 | Confident | 185 Ų | 185 | 121.2 Ų | 121.2 | 70% | 0.698 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.2 | -33.3 | 178.3 | -173.2 | 179.7 | 178.9 | -175 | 1.2 | 114 | Q145 L146 K147 T152 | Q145-R149 WeakPolarHBondContact O-CB 3.33Å; Q145-R149 PolarHBondContact O-N 2.88Å; L146-R149 CarbonylContact O-C 3.59Å; L146-R149 WeakPolarHBondContact O-CB 3.2Å; L146-R149 PolarHBondContact O-N 3.16Å; L146-R149 VanDerWaalsContact O-N 3.15Å; K147-R149 VanDerWaalsContact C-N 3.35Å; K147-R149 PolarHBondContact O-N 2.84Å; R149-T152 VanDerWaalsContact C-OG1 3.26Å; R149-T152 WeakPolarHBondContact CA-OG1 3.32Å; R149-T152 PolarHBondContact O-OG1 3.04Å |
| 150 | W | 90.9 | Very high | 83.8 | Confident | 181 Ų | 181 | 121 Ų | 121 | 69% | 0.686 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76.3 | -35.6 | 176.4 | -64.5 | -27.4 | 0 | 0 | 0 | 112.6 | L146 K147 Q148 T152 | L146-W150 HydrophobicContact CB-CH2 4.45Å; L146-W150 HydrophobicContact CB-CZ2 4.26Å; L146-W150 VanDerWaalsContact O-CG 3.28Å; L146-W150 PolarHBondContact O-N 3.3Å; K147-W150 PolarHBondContact O-N 2.73Å; Q148-W150 VanDerWaalsContact C-N 3.32Å; Q148-W150 PolarHBondContact O-N 3.49Å; W150-T152 VanDerWaalsContact C-N 3.34Å |
| 151 | L | 91.8 | Very high | 83.4 | Confident | 130 Ų | 130 | 118.4 Ų | 118.4 | 68% | 0.681 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73.1 | -28.3 | 175.8 | -68.7 | 174.2 | 0 | 0 | 0 | 112 | K147 Q148 P153 | K147-L151 HydrophobicContact CG-CD1 4.2Å; K147-L151 WeakPolarHBondContact O-CB 3.39Å; K147-L151 VanDerWaalsContact O-CG 3.29Å; K147-L151 WeakPolarHBondContact O-CG 3.42Å; K147-L151 PolarHBondContact O-N 2.99Å; Q148-L151 PolarHBondContact O-N 3.48Å; L151-P153 WeakPolarHBondContact O-CD 3.42Å; L151-P153 VanDerWaalsContact O-N 3.14Å |
| 152 | T | 85.9 | Confident | 83 | Confident | 85 Ų | 85 | 125.1 Ų | 125.1 | 52% | 0.521 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -63.6 | 115.4 | 173.8 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | Q148 R149 W150 K154 | Q148-T152 WeakPolarHBondContact O-CG2 3.44Å; Q148-T152 PolarHBondContact O-N 3.35Å; Q148-T152 PolarHBondContact O-OG1 3.13Å; R149-T152 VanDerWaalsContact C-OG1 3.26Å; R149-T152 WeakPolarHBondContact CA-OG1 3.32Å; R149-T152 PolarHBondContact O-OG1 3.04Å; W150-T152 VanDerWaalsContact C-N 3.34Å; T152-K154 PolarHBondContact O-N 3.48Å |
| 153 | P | 78 | Confident | 82.4 | Confident | 119 Ų | 119 | 124.1 Ų | 124.1 | 77% | 0.773 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 133.7 | 176.5 | 24.1 | -31.1 | 0 | 0 | 0 | 108.6 | L151 A155 | L151-P153 WeakPolarHBondContact O-CD 3.42Å; L151-P153 VanDerWaalsContact O-N 3.14Å; P153-A155 PolarHBondContact O-N 3.4Å |
| 154 | K | 71.8 | Confident | 81.8 | Confident | 207 Ų | 207 | 121.6 Ų | 121.6 | 90% | 0.9 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 127.3 | 172.8 | -73.2 | -177.1 | 178.4 | 178.2 | 0 | 108 | T152 G156 | T152-K154 PolarHBondContact O-N 3.48Å; K154-G156 PolarHBondContact O-N 3Å |
| 155 | A | 64.4 | Low | 81.3 | Confident | 73 Ų | 73 | 119 Ų | 119 | 60% | 0.603 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 134.8 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | P153 | P153-A155 PolarHBondContact O-N 3.4Š|
| 156 | G | 64.3 | Low | 80.8 | Confident | 49 Ų | 49 | 120.5 Ų | 120.5 | 51% | 0.505 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -49.2 | 155.6 | -159.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K154 K158 | K154-G156 PolarHBondContact O-N 3Å; G156-K158 PolarHBondContact O-N 3.44Å; G156-K158 VanDerWaalsContact O-N 3.1Å |
| 157 | L | 60.6 | Low | 80.2 | Confident | 172 Ų | 172 | 122.7 Ų | 122.7 | 90% | 0.901 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43 | 121.1 | 173.4 | -99.4 | 89.9 | 0 | 0 | 0 | 109.6 | ||
| 158 | K | 66.3 | Low | 79.5 | Confident | 204 Ų | 204 | 129.3 Ų | 129.3 | 89% | 0.887 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.6 | 22.1 | 170.7 | -48.5 | 168.2 | -176.5 | -176.5 | 0 | 118.2 | G156 | G156-K158 PolarHBondContact O-N 3.44Å; G156-K158 VanDerWaalsContact O-N 3.1Å |
| 159 | Q | 70.6 | Confident | 78.9 | Confident | 116 Ų | 116 | 126.8 Ų | 126.8 | 54% | 0.542 | 65% | 0.65 | S | S | . | * | trans | -82.1 | 121.2 | 161 | -66.6 | -166.5 | 2.6 | 0 | 0 | 110.3 | ||||
| 160 | S | 82.1 | Confident | 78.5 | Confident | 59 Ų | 59 | 122 Ų | 122 | 41% | 0.413 | 64% | 0.643 | S | S | . | * | trans | -70.2 | 152.7 | 169.7 | 77.5 | 0 | 0 | 0 | 0 | 109.8 | Y162 T163 S164 | S160-Y162 PolarHBondContact O-N 3.47Å; S160-Y162 VanDerWaalsContact O-N 3.14Å; S160-T163 PolarHBondContact O-N 3.09Å; S160-T163 PolarHBondContact OG-N 3.2Å; S160-T163 PolarHBondContact OG-OG1 2.99Å; S160-S164 PolarHBondContact O-N 2.94Å; S160-S164 VanDerWaalsContact O-N 3.09Å | ||
| 161 | T | 80.3 | Confident | 77.9 | Confident | 114 Ų | 114 | 118.4 Ų | 118.4 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -53.9 | -35.1 | 175.6 | -40.6 | 0 | 0 | 0 | 0 | 111.8 | S164 S165 | T161-S164 WeakPolarHBondContact CA-OG 3.33Å; T161-S164 PolarHBondContact O-N 3.03Å; T161-S164 PolarHBondContact O-OG 2.66Å; T161-S165 VanDerWaalsContact O-CB 3.32Å; T161-S165 WeakPolarHBondContact O-CB 3.37Å; T161-S165 PolarHBondContact O-N 2.95Å; T161-S165 PolarHBondContact O-OG 3.2Å |
| 162 | Y | 82.7 | Confident | 77.2 | Confident | 165 Ų | 165 | 117.5 Ų | 117.5 | 65% | 0.647 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63.3 | -46.2 | 176.2 | -176.3 | -97.8 | 0 | 0 | 0 | 111.8 | S160 S164 S165 Y166 | S160-Y162 PolarHBondContact O-N 3.47Å; S160-Y162 VanDerWaalsContact O-N 3.14Å; Y162-S164 VanDerWaalsContact C-N 3.34Å; Y162-S164 PolarHBondContact O-N 3.48Å; Y162-S165 PolarHBondContact O-N 3.05Å; Y162-Y166 AromaticContact CD2-CD2 3.59Å; Y162-Y166 HydrophobicContact CD2-CD2 3.59Å; Y162-Y166 AromaticContact CD2-CE2 3.74Å; Y162-Y166 HydrophobicContact CD2-CE2 3.74Å; Y162-Y166 AromaticContact CE2-CD2 3.53Å; Y162-Y166 HydrophobicContact CE2-CD2 3.53Å; Y162-Y166 AromaticContact CE2-CE2 3.66Å; Y162-Y166 HydrophobicContact CE2-CE2 3.66Å; Y162-Y166 HydrophobicContact CE2-CG 4.44Å; Y162-Y166 HydrophobicContact CG-CD2 4.19Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.34Å; Y162-Y166 PolarHBondContact O-N 3.08Å |
| 163 | T | 81.3 | Confident | 76.8 | Confident | 80 Ų | 80 | 116.7 Ų | 116.7 | 49% | 0.491 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.4 | -35.4 | 179.1 | -50.3 | 0 | 0 | 0 | 0 | 112.5 | S160 | S160-T163 PolarHBondContact O-N 3.09Å; S160-T163 PolarHBondContact OG-N 3.2Å; S160-T163 PolarHBondContact OG-OG1 2.99Å |
| 164 | S | 80.6 | Confident | 76.8 | Confident | 68 Ų | 68 | 117.1 Ų | 117.1 | 48% | 0.476 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -75.5 | -35.6 | 177.4 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | S160 T161 Y162 | S160-S164 PolarHBondContact O-N 2.94Å; S160-S164 VanDerWaalsContact O-N 3.09Å; T161-S164 WeakPolarHBondContact CA-OG 3.33Å; T161-S164 PolarHBondContact O-N 3.03Å; T161-S164 PolarHBondContact O-OG 2.66Å; Y162-S164 VanDerWaalsContact C-N 3.34Å; Y162-S164 PolarHBondContact O-N 3.48Å |
| 165 | S | 84.6 | Confident | 76.8 | Confident | 77 Ų | 77 | 112.9 Ų | 112.9 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -80.2 | -28.5 | -177.1 | -61.9 | 0 | 0 | 0 | 0 | 113 | T161 Y162 P167 | T161-S165 VanDerWaalsContact O-CB 3.32Å; T161-S165 WeakPolarHBondContact O-CB 3.37Å; T161-S165 PolarHBondContact O-N 2.95Å; T161-S165 PolarHBondContact O-OG 3.2Å; Y162-S165 PolarHBondContact O-N 3.05Å; S165-P167 VanDerWaalsContact C-CD 3.46Å; S165-P167 WeakPolarHBondContact O-CD 3.36Å |
| 166 | Y | 84.3 | Confident | 77 | Confident | 161 Ų | 161 | 115 Ų | 115 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -113.5 | 78.3 | 177.6 | -62.1 | -77.3 | 0 | 0 | 0 | 110.4 | Y162 | Y162-Y166 AromaticContact CD2-CD2 3.59Å; Y162-Y166 HydrophobicContact CD2-CD2 3.59Å; Y162-Y166 AromaticContact CD2-CE2 3.74Å; Y162-Y166 HydrophobicContact CD2-CE2 3.74Å; Y162-Y166 AromaticContact CE2-CD2 3.53Å; Y162-Y166 HydrophobicContact CE2-CD2 3.53Å; Y162-Y166 AromaticContact CE2-CE2 3.66Å; Y162-Y166 HydrophobicContact CE2-CE2 3.66Å; Y162-Y166 HydrophobicContact CE2-CG 4.44Å; Y162-Y166 HydrophobicContact CG-CD2 4.19Å; Y162-Y166 WeakPolarHBondContact O-CD2 3.34Å; Y162-Y166 PolarHBondContact O-N 3.08Å |
| 167 | P | 81.1 | Confident | 77.2 | Confident | 100 Ų | 100 | 122.3 Ų | 122.3 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145.5 | 173.4 | 27.7 | -33.7 | 0 | 0 | 0 | 109.8 | S165 | S165-P167 VanDerWaalsContact C-CD 3.46Å; S165-P167 WeakPolarHBondContact O-CD 3.36Å |
| 168 | R | 80.1 | Confident | 77.7 | Confident | 240 Ų | 240 | 123 Ų | 123 | 91% | 0.906 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 128.1 | 172 | -80.4 | -177.8 | 179.2 | 160.1 | -0.5 | 108.5 | ||
| 169 | P | 82.9 | Confident | 78.1 | Confident | 78 Ų | 78 | 122.4 Ų | 122.4 | 51% | 0.506 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 153.2 | 175 | 27.6 | -34.4 | 0 | 0 | 0 | 109.4 | A173 | P169-A173 HydrophobicContact CB-CB 4.13Š|
| 170 | P | 84.8 | Confident | 78.3 | Confident | 85 Ų | 85 | 121.5 Ų | 121.5 | 55% | 0.552 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 149 | 178.6 | 26.7 | -35.1 | 0 | 0 | 0 | 110.1 | C172 A173 | P170-C172 PolarHBondContact O-N 3.22Å; P170-A173 HydrophobicContact CG-CB 4.3Å; P170-A173 WeakPolarHBondContact O-CB 3.2Å; P170-A173 PolarHBondContact O-N 3.25Å |
| 171 | S | 77.4 | Confident | 77.9 | Confident | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -56.2 | -28 | -176.3 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | A173 M174 | S171-A173 PolarHBondContact O-N 3.12Å; S171-M174 PolarHBondContact O-N 3.35Å; S171-M174 VanDerWaalsContact O-N 3.12Å |
| 172 | C | 76.8 | Confident | 77.5 | Confident | 111 Ų | 111 | 126.1 Ų | 126.1 | 75% | 0.75 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -67.3 | -18.9 | 175.2 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | P170 M174 | P170-C172 PolarHBondContact O-N 3.22Å; C172-M174 VanDerWaalsContact C-N 3.34Å |
| 173 | A | 77.4 | Confident | 77.2 | Confident | 69 Ų | 69 | 124.2 Ų | 124.2 | 57% | 0.57 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -84.6 | -11.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P169 P170 S171 | P169-A173 HydrophobicContact CB-CB 4.13Å; P170-A173 HydrophobicContact CG-CB 4.3Å; P170-A173 WeakPolarHBondContact O-CB 3.2Å; P170-A173 PolarHBondContact O-N 3.25Å; S171-A173 PolarHBondContact O-N 3.12Å |
| 174 | M | 77.8 | Confident | 76.7 | Confident | 127 Ų | 127 | 125.3 Ų | 125.3 | 63% | 0.626 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -87 | 130.6 | 173.3 | -61.7 | -138.3 | -87.3 | 0 | 0 | 109 | S171 C172 C176 | S171-M174 PolarHBondContact O-N 3.35Å; S171-M174 VanDerWaalsContact O-N 3.12Å; C172-M174 VanDerWaalsContact C-N 3.34Å; M174-C176 PolarHBondContact O-N 2.87Å |
| 175 | S | 71.9 | Confident | 76.3 | Confident | 118 Ų | 118 | 127.7 Ų | 127.7 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 123.8 | 176.2 | 50.5 | 0 | 0 | 0 | 0 | 110.1 | R177 | S175-R177 PolarHBondContact O-N 3.44Š|
| 176 | C | 68.6 | Low | 75.4 | Confident | 118 Ų | 118 | 132.7 Ų | 132.7 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 117.2 | 169.7 | -68.3 | 0 | 0 | 0 | 0 | 108.1 | M174 E178 | M174-C176 PolarHBondContact O-N 2.87Å; C176-E178 PolarHBondContact O-N 3.05Å; C176-E178 VanDerWaalsContact O-N 3.13Å |
| 177 | R | 69.9 | Low | 74.5 | Confident | 203 Ų | 203 | 136.1 Ų | 136.1 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | -75 | 103.7 | 174.6 | -155.4 | 178.9 | -172.5 | -169.6 | 0.9 | 107.8 | S175 Y179 | S175-R177 PolarHBondContact O-N 3.44Å; R177-Y179 PolarHBondContact O-N 3.34Å | ||
| 178 | E | 70.1 | Confident | 73.6 | Confident | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -70 | 121.7 | 171.9 | -64.6 | -178.4 | 175.7 | 0 | 0 | 108.6 | C176 | C176-E178 PolarHBondContact O-N 3.05Å; C176-E178 VanDerWaalsContact O-N 3.13Å |
| 179 | Y | 74.7 | Confident | 72.7 | Confident | 192 Ų | 192 | 136.3 Ų | 136.3 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 138.8 | 172.1 | -65.3 | -82.9 | 0 | 0 | 0 | 109 | R177 I181 | R177-Y179 PolarHBondContact O-N 3.34Å; Y179-I181 PolarHBondContact O-N 3.47Å |
| 180 | A | 75.2 | Confident | 71.9 | Confident | 97 Ų | 97 | 138.4 Ų | 138.4 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 136.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 181 | I | 74.1 | Confident | 70.5 | Confident | 155 Ų | 155 | 140.4 Ų | 140.4 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 123.9 | 176.9 | -59 | 169.6 | 0 | 0 | 0 | 107.9 | Y179 V183 | Y179-I181 PolarHBondContact O-N 3.47Å; I181-V183 PolarHBondContact O-N 3.18Å |
| 182 | P | 70.9 | Confident | 69.7 | Low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 120.9 | 178.7 | 25.4 | -31.8 | 0 | 0 | 0 | 109.3 | P184 | P182-P184 WeakPolarHBondContact O-CD 3.47Š|
| 183 | V | 76.4 | Confident | 68.3 | Low | 126 Ų | 126 | 143.8 Ų | 143.8 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 122 | 174.9 | 179.8 | 0 | 0 | 0 | 0 | 108 | I181 | I181-V183 PolarHBondContact O-N 3.18Š|
| 184 | P | 71.5 | Confident | 67.1 | Low | 102 Ų | 102 | 153.2 Ų | 153.2 | 66% | 0.662 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 139.3 | 179 | 25.9 | -31.7 | 0 | 0 | 0 | 110.1 | P182 | P182-P184 WeakPolarHBondContact O-CD 3.47Š|
| 185 | P | 71.7 | Confident | 66.5 | Low | 119 Ų | 119 | 154.6 Ų | 154.6 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66 | 143.4 | -179 | 26.7 | -33.5 | 0 | 0 | 0 | 111.4 | R187 | P185-R187 PolarHBondContact O-N 3.4Š|
| 186 | H | 66.6 | Low | 66.3 | Low | 181 Ų | 181 | 156.5 Ų | 156.5 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 125.7 | 179.1 | -66.9 | -71.5 | 0 | 0 | 0 | 111 | L188 | H186-L188 PolarHBondContact O-N 3.13Š|
| 187 | R | 63.7 | Low | 66.1 | Low | 233 Ų | 233 | 158.6 Ų | 158.6 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117.9 | 177.9 | -66.6 | -176.8 | 179.9 | -179.8 | 0.1 | 109.4 | P185 H189 | P185-R187 PolarHBondContact O-N 3.4Å; R187-H189 PolarHBondContact O-N 3.49Å |
| 188 | L | 63.8 | Low | 65.9 | Low | 171 Ų | 171 | 156 Ų | 156 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 125.7 | 169.5 | -64.3 | 174.3 | 0 | 0 | 0 | 108.8 | H186 | H186-L188 PolarHBondContact O-N 3.13Š|
| 189 | H | 61.6 | Low | 65.6 | Low | 173 Ų | 173 | 154.2 Ų | 154.2 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 141 | 176.2 | -73 | -81.1 | 0 | 0 | 0 | 110.6 | R187 | R187-H189 PolarHBondContact O-N 3.49Š|
| 190 | P | 64.7 | Low | 65 | Low | 123 Ų | 123 | 151.7 Ų | 151.7 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 137.9 | 178.1 | 28.9 | -32.2 | 0 | 0 | 0 | 111.1 | ||
| 191 | V | 56.5 | Low | 64.3 | Low | 126 Ų | 126 | 155.6 Ų | 155.6 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 134.3 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | H193 | V191-H193 PolarHBondContact O-N 3.33Š|
| 192 | P | 59.7 | Low | 63.6 | Low | 97 Ų | 97 | 155.6 Ų | 155.6 | 63% | 0.63 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 128 | 178.1 | 28.4 | -31.4 | 0 | 0 | 0 | 110.2 | ||
| 193 | H | 48 | Very low | 63 | Low | 190 Ų | 190 | 159 Ų | 159 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 124.2 | 167.8 | -81.2 | -32.6 | 0 | 0 | 0 | 109.5 | V191 | V191-H193 PolarHBondContact O-N 3.33Š|
| 194 | F | 51.3 | Low | 61.7 | Low | 267 Ų | 267 | 162 Ų | 162 | 100% | 1.171 | 83% | 0.826 | S | S | * | * | trans | -94.1 | 0 | 163.9 | -76.1 | -78.9 | 0 | 0 | 0 | 109.5 |
Retrieved 194 of 194 residues in 33 ms
(Link to these results)