| 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 | 47.5 | Very low | 61.8 | Low | 247 Ų | 247 | 170.5 Ų | 170.5 | 100% | 1.217 | 83% | 0.825 | S | S | * | * | 0 | 99.3 | 0 | -73.3 | 179.2 | -171.4 | 0 | 0 | 106.5 | E3 | M1-E3 PolarHBondContact O-N 3.3Š| |||
| 2 | E | 47.4 | Very low | 61.8 | Low | 192 Ų | 192 | 163.8 Ų | 163.8 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -73.1 | 121.9 | 177.7 | -81.3 | 178.7 | 141.5 | 0 | 0 | 109.6 | V4 | E2-V4 PolarHBondContact O-N 3.4Š| ||
| 3 | E | 53.7 | Low | 61.6 | Low | 185 Ų | 185 | 155.7 Ų | 155.7 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | trans | -71.4 | 110.7 | 172.3 | -122.3 | -173.6 | 169.8 | 0 | 0 | 108.7 | M1 V5 | M1-E3 PolarHBondContact O-N 3.3Å; E3-V5 PolarHBondContact O-N 2.98Å | ||
| 4 | V | 60.2 | Low | 61.4 | Low | 127 Ų | 127 | 160.1 Ų | 160.1 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -65.6 | 99.1 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | E2 R6 | E2-V4 PolarHBondContact O-N 3.4Å; V4-R6 HydrophobicContact CG1-CG 4.5Å; V4-R6 PolarHBondContact O-N 3.19Å | ||
| 5 | V | 66.4 | Low | 61.3 | Low | 130 Ų | 130 | 159.4 Ų | 159.4 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | -68.4 | 96.7 | 174.3 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | E3 K7 | E3-V5 PolarHBondContact O-N 2.98Å; V5-K7 PolarHBondContact O-N 3.37Å | ||
| 6 | R | 66.9 | Low | 61.2 | Low | 212 Ų | 212 | 162.3 Ų | 162.3 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -68.5 | 104.2 | 173 | -67.9 | -174.2 | 179.4 | -172 | 0.6 | 109.4 | V4 R8 | V4-R6 HydrophobicContact CG1-CG 4.5Å; V4-R6 PolarHBondContact O-N 3.19Å; R6-R8 PolarHBondContact O-N 3.13Å; R6-R8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | K | 67.4 | Low | 61.4 | Low | 208 Ų | 208 | 155.8 Ų | 155.8 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | trans | -62 | 108 | 170 | -89.6 | -177.9 | 175.2 | 176.6 | 0 | 109.4 | V5 | V5-K7 PolarHBondContact O-N 3.37Š| ||
| 8 | R | 69.9 | Low | 61.8 | Low | 201 Ų | 201 | 150.1 Ų | 150.1 | 76% | 0.758 | 74% | 0.742 | S | S | * | * | trans | -89.3 | 147.1 | 169.9 | -60.1 | -178.5 | -174.4 | -173.9 | 1.3 | 108.8 | R6 | R6-R8 PolarHBondContact O-N 3.13Å; R6-R8 VanDerWaalsContact O-N 3.08Å | ||
| 9 | P | 67.8 | Low | 61.8 | Low | 112 Ų | 112 | 144.4 Ų | 144.4 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -58.8 | 142.6 | 177 | 24.4 | -33.1 | 0 | 0 | 0 | 110.6 | I11 | P9-I11 PolarHBondContact O-N 3.31Å; P9-I11 VanDerWaalsContact O-N 3.17Å | ||
| 10 | I | 68.6 | Low | 61.8 | Low | 150 Ų | 150 | 143.6 Ų | 143.6 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | trans | -70.8 | 111.1 | 177.2 | -66.6 | 163.2 | 0 | 0 | 0 | 107.4 | ||||
| 11 | I | 64.1 | Low | 61.7 | Low | 112 Ų | 112 | 141.6 Ų | 141.6 | 57% | 0.574 | 74% | 0.736 | S | S | * | * | trans | -92.4 | 122.8 | 177.2 | -49.6 | 171.2 | 0 | 0 | 0 | 107 | P9 A13 R14 | P9-I11 PolarHBondContact O-N 3.31Å; P9-I11 VanDerWaalsContact O-N 3.17Å; I11-A13 HydrophobicContact CG2-CB 4.21Å; I11-A13 PolarHBondContact O-N 3.09Å; I11-R14 WeakPolarHBondContact O-CB 3.45Å; I11-R14 PolarHBondContact O-N 3.14Å | ||
| 12 | S | 61.8 | Low | 62.6 | Low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -49.5 | -26.3 | -178.9 | 166.9 | 0 | 0 | 0 | 0 | 114.1 | R14 E15 | S12-R14 PolarHBondContact O-N 3.09Å; S12-R14 VanDerWaalsContact O-N 3.16Å; S12-E15 PolarHBondContact O-N 3.29Å |
| 13 | A | 58.4 | Low | 63.5 | Low | 59 Ų | 59 | 137.7 Ų | 137.7 | 49% | 0.488 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -59.6 | -23.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I11 E15 | I11-A13 HydrophobicContact CG2-CB 4.21Å; I11-A13 PolarHBondContact O-N 3.09Å; A13-E15 VanDerWaalsContact C-N 3.34Å |
| 14 | R | 59.8 | Low | 64.2 | Low | 218 Ų | 218 | 133.6 Ų | 133.6 | 82% | 0.823 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -77.5 | -17.4 | 174.8 | -81.9 | -178.7 | 152.6 | -165.5 | -8.4 | 113.8 | I11 S12 R16 | I11-R14 WeakPolarHBondContact O-CB 3.45Å; I11-R14 PolarHBondContact O-N 3.14Å; S12-R14 PolarHBondContact O-N 3.09Å; S12-R14 VanDerWaalsContact O-N 3.16Å; R14-R16 VanDerWaalsContact C-N 3.34Å |
| 15 | E | 59.9 | Low | 64.8 | Low | 149 Ų | 149 | 134.6 Ų | 134.6 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -93.1 | 4.2 | 174.5 | -62.7 | -172.9 | 163.8 | 0 | 0 | 112.5 | S12 A13 G17 | S12-E15 PolarHBondContact O-N 3.29Å; A13-E15 VanDerWaalsContact C-N 3.34Å; E15-G17 PolarHBondContact O-N 3.06Å |
| 16 | R | 59 | Low | 65.3 | Low | 206 Ų | 206 | 131.4 Ų | 131.4 | 78% | 0.777 | 68% | 0.681 | S | S | * | * | trans | -64.5 | 107.1 | 171.6 | -73.7 | -176.4 | 178.7 | -179.4 | -0.1 | 107.5 | R14 | R14-R16 VanDerWaalsContact C-N 3.34Š| ||
| 17 | G | 65.1 | Low | 65.8 | Low | 52 Ų | 52 | 124.5 Ų | 124.5 | 54% | 0.536 | 66% | 0.663 | S | S | . | * | trans | -45.5 | 158.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | E15 G19 | E15-G17 PolarHBondContact O-N 3.06Å; G17-G19 PolarHBondContact O-N 3.08Å | ||
| 18 | P | 68.6 | Low | 66.1 | Low | 53 Ų | 53 | 117.7 Ų | 117.7 | 34% | 0.344 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -42.1 | 120.9 | -172.1 | 19.9 | -34.8 | 0 | 0 | 0 | 111.2 | R22 Y23 | P18-R22 HydrophobicContact CB-CB 3.53Å; P18-R22 VanDerWaalsContact CB-CD 3.49Å; P18-R22 HydrophobicContact CB-CG 4.08Å; P18-Y23 HydrophobicContact CB-CE2 4.35Å; P18-Y23 HydrophobicContact CG-CE1 4.41Å; P18-Y23 HydrophobicContact CG-CE2 3.8Å; P18-Y23 VanDerWaalsContact CG-OH 3.29Å; P18-Y23 WeakPolarHBondContact CG-OH 3.39Å; P18-Y23 WeakPolarHBondContact O-CE2 3.49Å |
| 19 | G | 62.4 | Low | 66.3 | Low | 41 Ų | 41 | 112.7 Ų | 112.7 | 42% | 0.423 | 63% | 0.631 | S | S | . | * | trans | -54.1 | 161.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G17 A21 R22 | G17-G19 PolarHBondContact O-N 3.08Å; G19-A21 PolarHBondContact O-N 3.17Å; G19-R22 PolarHBondContact O-N 3.24Å | ||
| 20 | P | 61.4 | Low | 66.6 | Low | 129 Ų | 129 | 107.9 Ų | 107.9 | 84% | 0.838 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -54.4 | -22.3 | -171.1 | 19.6 | -32.2 | 0 | 0 | 0 | 114.5 | ||
| 21 | A | 59.7 | Low | 66.8 | Low | 102 Ų | 102 | 110 Ų | 110 | 84% | 0.843 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -77.5 | -9.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G19 | G19-A21 PolarHBondContact O-N 3.17Š|
| 22 | R | 65.3 | Low | 67.5 | Low | 203 Ų | 203 | 109.7 Ų | 109.7 | 77% | 0.766 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -86.4 | -16.5 | 178.1 | -130.3 | -165.1 | -86.8 | -145.6 | -9 | 113.3 | P18 G19 A24 | P18-R22 HydrophobicContact CB-CB 3.53Å; P18-R22 VanDerWaalsContact CB-CD 3.49Å; P18-R22 HydrophobicContact CB-CG 4.08Å; G19-R22 PolarHBondContact O-N 3.24Å; R22-A24 PolarHBondContact O-N 2.92Å |
| 23 | Y | 67 | Low | 68.3 | Low | 153 Ų | 153 | 111.7 Ų | 111.7 | 60% | 0.6 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -93.3 | 94.5 | 171.5 | -60.9 | -76.4 | 0 | 0 | 0 | 108.1 | P18 L25 | P18-Y23 HydrophobicContact CB-CE2 4.35Å; P18-Y23 HydrophobicContact CG-CE1 4.41Å; P18-Y23 HydrophobicContact CG-CE2 3.8Å; P18-Y23 VanDerWaalsContact CG-OH 3.29Å; P18-Y23 WeakPolarHBondContact CG-OH 3.39Å; P18-Y23 WeakPolarHBondContact O-CE2 3.49Å; Y23-L25 PolarHBondContact O-N 2.94Å |
| 24 | A | 68.8 | Low | 69.4 | Low | 100 Ų | 100 | 109.8 Ų | 109.8 | 83% | 0.826 | 58% | 0.584 | S | S | * | * | trans | -70.2 | 94.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | R22 | R22-A24 PolarHBondContact O-N 2.92Š| ||
| 25 | L | 73.1 | Confident | 70.5 | Confident | 147 Ų | 147 | 101.1 Ų | 101.1 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142.5 | 171.3 | -67.8 | 174.6 | 0 | 0 | 0 | 109.4 | Y23 | Y23-L25 PolarHBondContact O-N 2.94Š|
| 26 | P | 76.4 | Confident | 71.4 | Confident | 63 Ų | 63 | 103.6 Ų | 103.6 | 41% | 0.409 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 142 | 176.3 | -11.4 | 23.1 | 0 | 0 | 0 | 110.6 | N33 D35 | P26-N33 WeakPolarHBondContact CB-O 3.24Å; P26-D35 HydrophobicContact CB-CB 4.02Å; P26-D35 HydrophobicContact CG-CB 4.26Å |
| 27 | P | 76.4 | Confident | 72.5 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 146.2 | 177.8 | 25.8 | -36.5 | 0 | 0 | 0 | 112 | N33 H34 D35 | P27-N33 VanDerWaalsContact CD-O 3.24Å; P27-N33 WeakPolarHBondContact CD-O 3.19Å; P27-H34 WeakPolarHBondContact O-CA 3.46Å; P27-H34 PolarHBondContact O-CD2 2.92Å; P27-D35 PolarHBondContact O-N 3.01Å |
| 28 | T | 74.8 | Confident | 73.2 | Confident | 66 Ų | 66 | 102.3 Ų | 102.3 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -96.4 | 7.7 | 174.1 | 58 | 0 | 0 | 0 | 0 | 113 | H34 K38 | T28-H34 VanDerWaalsContact C-CD2 3.42Å; T28-H34 PolarHBondContact O-NE2 3.47Å; T28-K38 HydrophobicContact CG2-CD 3.87Å |
| 29 | V | 74.4 | Confident | 73.7 | Confident | 95 Ų | 95 | 105.8 Ų | 105.8 | 58% | 0.576 | 58% | 0.581 | S | S | * | * | B | Isolated β-bridge | trans | -122.3 | 126.6 | -174.7 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 30 | G | 73.1 | Confident | 74.3 | Confident | 11 Ų | 11 | 106.8 Ų | 106.8 | 11% | 0.113 | 58% | 0.582 | C | S | . | * | S | Bend | trans | 85 | -174 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H34 S40 | G30-H34 WeakPolarHBondContact O-CB 3.37Å; G30-H34 PolarHBondContact O-CD2 3.16Å; G30-S40 PolarHBondContact O-OG 2.89Å |
| 31 | Y | 73.9 | Confident | 74.8 | Confident | 196 Ų | 196 | 103.3 Ų | 103.3 | 77% | 0.769 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -106.3 | -20.8 | -171.6 | 65.1 | -89.4 | 0 | 0 | 0 | 113.8 | ||
| 32 | I | 78.5 | Confident | 75.1 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 53% | 0.533 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.7 | 122 | -179.1 | -55.1 | 178.4 | 0 | 0 | 0 | 108.5 | H34 | I32-H34 VanDerWaalsContact C-N 3.26Å; I32-H34 PolarHBondContact O-N 2.89Å |
| 33 | N | 77.3 | Confident | 75.3 | Confident | 132 Ų | 132 | 96.5 Ų | 96.5 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 28.8 | 179.9 | -56.9 | -29.2 | 0 | 0 | 0 | 114.7 | P26 P27 | P26-N33 WeakPolarHBondContact CB-O 3.24Å; P27-N33 VanDerWaalsContact CD-O 3.24Å; P27-N33 WeakPolarHBondContact CD-O 3.19Å |
| 34 | H | 83.3 | Confident | 75.2 | Confident | 18 Ų | 18 | 98.2 Ų | 98.2 | 8% | 0.083 | 55% | 0.546 | C | S | . | . | trans | -72.9 | 141.7 | 178.8 | -179.1 | -83.8 | 0 | 0 | 0 | 112.5 | P27 T28 G30 I32 F36 K38 S40 | P27-H34 WeakPolarHBondContact O-CA 3.46Å; P27-H34 PolarHBondContact O-CD2 2.92Å; T28-H34 VanDerWaalsContact C-CD2 3.42Å; T28-H34 PolarHBondContact O-NE2 3.47Å; G30-H34 WeakPolarHBondContact O-CB 3.37Å; G30-H34 PolarHBondContact O-CD2 3.16Å; I32-H34 VanDerWaalsContact C-N 3.26Å; I32-H34 PolarHBondContact O-N 2.89Å; H34-F36 PolarHBondContact O-N 3.23Å; H34-F36 VanDerWaalsContact O-N 3.16Å; H34-K38 PolarHBondContact CE1-O 3.12Å; H34-S40 VanDerWaalsContact NE2-CA 3.34Å; H34-S40 WeakPolarHBondContact NE2-CA 3.49Å; H34-S40 WeakPolarHBondContact NE2-CB 3.02Å | ||
| 35 | D | 82.8 | Confident | 74.9 | Confident | 36 Ų | 36 | 98.5 Ų | 98.5 | 19% | 0.193 | 54% | 0.542 | C | S | . | . | trans | -67.8 | 105 | 172.7 | -177.2 | -5 | 0 | 0 | 0 | 111.6 | P26 P27 T37 K38 | P26-D35 HydrophobicContact CB-CB 4.02Å; P26-D35 HydrophobicContact CG-CB 4.26Å; P27-D35 PolarHBondContact O-N 3.01Å; D35-T37 VanDerWaalsContact CG-OG1 3.24Å; D35-T37 PolarHBondContact O-N 3.22Å; D35-T37 WeakPolarHBondContact OD1-CB 3.43Å; D35-T37 PolarHBondContact OD1-N 3.43Å; D35-T37 PolarHBondContact OD1-OG1 3.25Å; D35-T37 PolarHBondContact OD2-OG1 3.37Å; D35-K38 PolarHBondContact O-N 3.12Å; D35-K38 WeakPolarHBondContact OD2-CE 3.29Å | ||
| 36 | F | 77.4 | Confident | 74.2 | Confident | 202 Ų | 202 | 100.2 Ų | 100.2 | 89% | 0.886 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.5 | -178 | -60.4 | -77.1 | 0 | 0 | 0 | 114.9 | H34 K38 | H34-F36 PolarHBondContact O-N 3.23Å; H34-F36 VanDerWaalsContact O-N 3.16Å; F36-K38 VanDerWaalsContact C-N 3.28Å |
| 37 | T | 82.8 | Confident | 73.2 | Confident | 119 Ų | 119 | 105.2 Ų | 105.2 | 73% | 0.73 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -10 | 178.4 | 68 | 0 | 0 | 0 | 0 | 113.3 | D35 | D35-T37 VanDerWaalsContact CG-OG1 3.24Å; D35-T37 PolarHBondContact O-N 3.22Å; D35-T37 WeakPolarHBondContact OD1-CB 3.43Å; D35-T37 PolarHBondContact OD1-N 3.43Å; D35-T37 PolarHBondContact OD1-OG1 3.25Å; D35-T37 PolarHBondContact OD2-OG1 3.37Å |
| 38 | K | 80.7 | Confident | 72.4 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -116.7 | 155.4 | -176.5 | -61.9 | -171.8 | -174.6 | -166.7 | 0 | 111.6 | T28 H34 D35 F36 S40 | T28-K38 HydrophobicContact CG2-CD 3.87Å; H34-K38 PolarHBondContact CE1-O 3.12Å; D35-K38 PolarHBondContact O-N 3.12Å; D35-K38 WeakPolarHBondContact OD2-CE 3.29Å; F36-K38 VanDerWaalsContact C-N 3.28Å; K38-S40 PolarHBondContact O-N 3.35Å |
| 39 | P | 78.4 | Confident | 71.4 | Confident | 125 Ų | 125 | 113.8 Ų | 113.8 | 81% | 0.812 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 126.2 | 173.6 | 27.7 | -32.7 | 0 | 0 | 0 | 110.7 | ||
| 40 | S | 75.5 | Confident | 70.3 | Confident | 63 Ų | 63 | 118 Ų | 118 | 44% | 0.441 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -82.8 | 129.5 | 175.7 | -178 | 0 | 0 | 0 | 0 | 111 | G30 H34 K38 | G30-S40 PolarHBondContact O-OG 2.89Å; H34-S40 VanDerWaalsContact NE2-CA 3.34Å; H34-S40 WeakPolarHBondContact NE2-CA 3.49Å; H34-S40 WeakPolarHBondContact NE2-CB 3.02Å; K38-S40 PolarHBondContact O-N 3.35Å |
| 41 | S | 71.4 | Confident | 69.4 | Low | 56 Ų | 56 | 122.1 Ų | 122.1 | 39% | 0.392 | 64% | 0.641 | S | S | . | * | B | Isolated β-bridge | trans | -81.5 | 139.9 | 169.5 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | A43 | S41-A43 PolarHBondContact O-N 3.36Å |
| 42 | P | 66.7 | Low | 68.5 | Low | 97 Ų | 97 | 119.8 Ų | 119.8 | 63% | 0.63 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 130 | -179.3 | 23.2 | -32 | 0 | 0 | 0 | 111.8 | Y44 | P42-Y44 HydrophobicContact CB-CD2 4.47Å; P42-Y44 HydrophobicContact CB-CE2 3.78Å; P42-Y44 HydrophobicContact CG-CE2 3.97Å |
| 43 | A | 68.5 | Low | 67.3 | Low | 64 Ų | 64 | 117.9 Ų | 117.9 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | trans | -97.1 | 112.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | S41 | S41-A43 PolarHBondContact O-N 3.36Š| ||
| 44 | Y | 64.8 | Low | 66 | Low | 189 Ų | 189 | 120.9 Ų | 120.9 | 74% | 0.741 | 66% | 0.659 | S | S | * | * | trans | -97.4 | 120.5 | 173.7 | -65.4 | -80.8 | 0 | 0 | 0 | 109.2 | P42 | P42-Y44 HydrophobicContact CB-CD2 4.47Å; P42-Y44 HydrophobicContact CB-CE2 3.78Å; P42-Y44 HydrophobicContact CG-CE2 3.97Å | ||
| 45 | S | 63.7 | Low | 64.4 | Low | 107 Ų | 107 | 126.1 Ų | 126.1 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -87.1 | 119.5 | 169.1 | 53.7 | 0 | 0 | 0 | 0 | 108.9 | H47 | S45-H47 PolarHBondContact O-N 2.97Š| ||
| 46 | F | 56.8 | Low | 63.1 | Low | 182 Ų | 182 | 129.9 Ų | 129.9 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -80.2 | 101.8 | 162.4 | -64.2 | -79 | 0 | 0 | 0 | 106 | ||
| 47 | H | 55.7 | Low | 61.8 | Low | 168 Ų | 168 | 126.1 Ų | 126.1 | 78% | 0.778 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 88.1 | 124.7 | 173.6 | -45.7 | 84.1 | 0 | 0 | 0 | 115.9 | S45 | S45-H47 PolarHBondContact O-N 2.97Š|
| 48 | G | 59.5 | Low | 60.4 | Low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 139.5 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | M50 | G48-M50 PolarHBondContact O-N 3.47Š|
| 49 | R | 53.3 | Low | 58.9 | Low | 248 Ų | 248 | 127.9 Ų | 127.9 | 94% | 0.936 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 119.5 | 176.4 | -51.3 | -173.5 | -144 | -88.4 | 1.6 | 108.3 | S51 | R49-S51 PolarHBondContact O-N 2.87Š|
| 50 | M | 51.3 | Low | 57.6 | Low | 182 Ų | 182 | 126.2 Ų | 126.2 | 90% | 0.897 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -63 | 125.3 | 172 | -66.9 | 179 | 68.7 | 0 | 0 | 108.1 | G48 | G48-M50 PolarHBondContact O-N 3.47Š|
| 51 | S | 56 | Low | 56.4 | Low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 143.8 | 173.5 | 64.2 | 0 | 0 | 0 | 0 | 109.5 | R49 A53 | R49-S51 PolarHBondContact O-N 2.87Å; S51-A53 PolarHBondContact O-N 2.92Å |
| 52 | T | 55.2 | Low | 55.7 | Low | 148 Ų | 148 | 129.3 Ų | 129.3 | 91% | 0.908 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -66.2 | 15.6 | 178.2 | -52.4 | 0 | 0 | 0 | 0 | 113.6 | M54 | T52-M54 VanDerWaalsContact C-N 3.34Å; T52-M54 PolarHBondContact O-N 3.39Å |
| 53 | A | 52.4 | Low | 55 | Low | 64 Ų | 64 | 128.7 Ų | 128.7 | 53% | 0.529 | 73% | 0.734 | S | S | . | * | trans | -80 | 88.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | S51 I55 | S51-A53 PolarHBondContact O-N 2.92Å; A53-I55 PolarHBondContact O-N 3.12Å | ||
| 54 | M | 49.8 | Very low | 54.5 | Low | 194 Ų | 194 | 136.6 Ų | 136.6 | 96% | 0.956 | 75% | 0.75 | S | S | * | * | trans | -65 | 69.4 | 169.9 | -168.6 | -171.5 | -74.6 | 0 | 0 | 109.8 | T52 | T52-M54 VanDerWaalsContact C-N 3.34Å; T52-M54 PolarHBondContact O-N 3.39Å | ||
| 55 | I | 49.9 | Very low | 54.1 | Low | 129 Ų | 129 | 136.4 Ų | 136.4 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | trans | -114.2 | 117.2 | 168.8 | -58.6 | 172.7 | 0 | 0 | 0 | 105.6 | A53 I57 | A53-I55 PolarHBondContact O-N 3.12Å; I55-I57 PolarHBondContact O-N 3.44Å | ||
| 56 | S | 54.7 | Low | 54.2 | Low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | trans | -46.3 | 95.9 | 175.3 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 57 | I | 51.5 | Low | 54.6 | Low | 124 Ų | 124 | 137.2 Ų | 137.2 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | -93.1 | 111.7 | 162.5 | -63.1 | 168.3 | 0 | 0 | 0 | 104.3 | I55 S59 | I55-I57 PolarHBondContact O-N 3.44Å; I57-S59 VanDerWaalsContact C-N 3.3Å; I57-S59 PolarHBondContact O-N 3.49Å; I57-S59 PolarHBondContact O-OG 2.9Å | ||
| 58 | D | 52.9 | Low | 55.1 | Low | 155 Ų | 155 | 130.8 Ų | 130.8 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | -40.3 | 95.6 | 170.7 | -74.5 | -42.4 | 0 | 0 | 0 | 110.3 | S60 | D58-S60 PolarHBondContact O-N 2.99Š| ||
| 59 | S | 49.4 | Very low | 55.9 | Low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | -88.6 | 70 | -178.2 | -66.6 | 0 | 0 | 0 | 0 | 107.3 | I57 | I57-S59 VanDerWaalsContact C-N 3.3Å; I57-S59 PolarHBondContact O-N 3.49Å; I57-S59 PolarHBondContact O-OG 2.9Å | ||
| 60 | S | 51.2 | Low | 56.9 | Low | 90 Ų | 90 | 125.6 Ų | 125.6 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | trans | -75.6 | 134.2 | 157.6 | 60.4 | 0 | 0 | 0 | 0 | 107.4 | D58 G62 | D58-S60 PolarHBondContact O-N 2.99Å; S60-G62 PolarHBondContact O-N 3.28Å | ||
| 61 | P | 50.2 | Low | 58.2 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 94% | 0.942 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -74.5 | 40.3 | 177.9 | 32.8 | -35.4 | 0 | 0 | 0 | 111.1 | ||
| 62 | G | 55.8 | Low | 59.3 | Low | 39 Ų | 39 | 119.8 Ų | 119.8 | 40% | 0.402 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -111 | 137.2 | 179 | 0 | 0 | 0 | 0 | 0 | 109.8 | S60 R64 | S60-G62 PolarHBondContact O-N 3.28Å; G62-R64 PolarHBondContact O-N 2.78Å |
| 63 | P | 53.1 | Low | 60.4 | Low | 84 Ų | 84 | 123.5 Ų | 123.5 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | trans | -52.6 | 118.5 | 170.2 | 19.5 | -30.6 | 0 | 0 | 0 | 109.9 | Y65 | P63-Y65 HydrophobicContact CB-CD2 4.36Å; P63-Y65 HydrophobicContact CB-CE1 4.01Å; P63-Y65 HydrophobicContact CB-CE2 3.87Å; P63-Y65 HydrophobicContact CG-CD2 4.2Å; P63-Y65 HydrophobicContact CG-CE1 4.22Å; P63-Y65 HydrophobicContact CG-CE2 3.37Å; P63-Y65 VanDerWaalsContact CG-OH 3.24Å; P63-Y65 WeakPolarHBondContact CG-OH 3.49Å; P63-Y65 VanDerWaalsContact O-CD2 3.3Å; P63-Y65 WeakPolarHBondContact O-CD2 3.35Å; P63-Y65 PolarHBondContact O-N 3.05Å | ||
| 64 | R | 56.4 | Low | 61.7 | Low | 231 Ų | 231 | 128.9 Ų | 128.9 | 87% | 0.872 | 69% | 0.686 | S | S | * | * | trans | -67.5 | 82.9 | 173.4 | -175.9 | 178.4 | 174.2 | 156.4 | -0.8 | 108.5 | G62 Y66 | G62-R64 PolarHBondContact O-N 2.78Å; R64-Y66 PolarHBondContact O-N 2.86Å | ||
| 65 | Y | 57.9 | Low | 63 | Low | 185 Ų | 185 | 121.2 Ų | 121.2 | 73% | 0.725 | 66% | 0.656 | S | S | * | * | trans | -70.7 | 117.4 | 172.5 | -61.6 | -67.1 | 0 | 0 | 0 | 108.6 | P63 V67 | P63-Y65 HydrophobicContact CB-CD2 4.36Å; P63-Y65 HydrophobicContact CB-CE1 4.01Å; P63-Y65 HydrophobicContact CB-CE2 3.87Å; P63-Y65 HydrophobicContact CG-CD2 4.2Å; P63-Y65 HydrophobicContact CG-CE1 4.22Å; P63-Y65 HydrophobicContact CG-CE2 3.37Å; P63-Y65 VanDerWaalsContact CG-OH 3.24Å; P63-Y65 WeakPolarHBondContact CG-OH 3.49Å; P63-Y65 VanDerWaalsContact O-CD2 3.3Å; P63-Y65 WeakPolarHBondContact O-CD2 3.35Å; P63-Y65 PolarHBondContact O-N 3.05Å; Y65-V67 PolarHBondContact O-N 3.26Å | ||
| 66 | Y | 65.1 | Low | 64.5 | Low | 211 Ų | 211 | 123.1 Ų | 123.1 | 83% | 0.827 | 66% | 0.655 | S | S | * | * | trans | -67.6 | 100.4 | 164.2 | -179.7 | -98.1 | 0 | 0 | 0 | 107.9 | R64 G68 | R64-Y66 PolarHBondContact O-N 2.86Å; Y66-G68 PolarHBondContact O-N 2.67Å; Y66-G68 VanDerWaalsContact O-N 3.16Å | ||
| 67 | V | 64.3 | Low | 65.6 | Low | 95 Ų | 95 | 121.9 Ų | 121.9 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | trans | -75.6 | 102.6 | 171.7 | -175.2 | 0 | 0 | 0 | 0 | 106.8 | Y65 G69 L71 | Y65-V67 PolarHBondContact O-N 3.26Å; V67-G69 PolarHBondContact O-N 3.09Å; V67-L71 HydrophobicContact CG1-CB 3.94Å; V67-L71 HydrophobicContact CG1-CD2 3.76Å; V67-L71 HydrophobicContact CG1-CG 4.42Å | ||
| 68 | G | 67.5 | Low | 66.7 | Low | 32 Ų | 32 | 119.9 Ų | 119.9 | 33% | 0.33 | 63% | 0.631 | S | S | . | * | trans | -57.2 | 137.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y66 K70 L71 | Y66-G68 PolarHBondContact O-N 2.67Å; Y66-G68 VanDerWaalsContact O-N 3.16Å; G68-K70 PolarHBondContact O-N 3.14Å; G68-L71 PolarHBondContact O-N 3.24Å | ||
| 69 | G | 75.1 | Confident | 67.8 | Low | 82 Ų | 82 | 118.5 Ų | 118.5 | 85% | 0.845 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | 2.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | V67 | V67-G69 PolarHBondContact O-N 3.09Š|
| 70 | K | 75.7 | Confident | 69 | Low | 123 Ų | 123 | 117.5 Ų | 117.5 | 54% | 0.535 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.8 | 7.8 | 175 | -53 | -176.2 | -174.9 | 177.7 | 0 | 112.6 | G68 R76 T77 E78 | G68-K70 PolarHBondContact O-N 3.14Å; K70-R76 CarbonylContact O-C 3.43Å; K70-R76 WeakPolarHBondContact O-CA 3.17Å; K70-T77 PolarHBondContact O-N 3.02Å; K70-T77 PolarHBondContact O-OG1 3.15Å; K70-T77 VanDerWaalsContact O-OG1 3.12Å; K70-E78 HydrophobicContact CB-CG 4.03Å; K70-E78 HydrophobicContact CD-CG 3.54Å; K70-E78 HydrophobicContact CG-CG 4.41Å |
| 71 | L | 77.9 | Confident | 69.8 | Low | 95 Ų | 95 | 118.7 Ų | 118.7 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102 | 114.7 | 178.6 | -163.7 | 74 | 0 | 0 | 0 | 110.1 | V67 G68 R76 | V67-L71 HydrophobicContact CG1-CB 3.94Å; V67-L71 HydrophobicContact CG1-CD2 3.76Å; V67-L71 HydrophobicContact CG1-CG 4.42Å; G68-L71 PolarHBondContact O-N 3.24Å; L71-R76 HydrophobicContact CD1-CB 4.41Å; L71-R76 HydrophobicContact CD1-CG 3.29Å |
| 72 | T | 79.6 | Confident | 70.7 | Confident | 64 Ų | 64 | 121.2 Ų | 121.2 | 39% | 0.393 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 169.7 | 175.9 | 70.2 | 0 | 0 | 0 | 0 | 111 | F74 G75 T77 | T72-F74 PolarHBondContact O-N 3.18Å; T72-F74 PolarHBondContact OG1-N 3.17Å; T72-G75 PolarHBondContact N-O 3.42Å; T72-G75 PolarHBondContact O-N 3.26Å; T72-G75 PolarHBondContact OG1-O 3.04Å; T72-T77 HydrophobicContact CG2-CG2 3.5Å; T72-T77 VanDerWaalsContact CG2-CG2 3.5Å |
| 73 | R | 77.1 | Confident | 71.2 | Confident | 226 Ų | 226 | 123.2 Ų | 123.2 | 85% | 0.853 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -25.2 | 175.4 | -177.5 | 171.1 | 61.1 | -173.9 | -3.1 | 113.6 | ||
| 74 | F | 79.8 | Confident | 71.7 | Confident | 177 Ų | 177 | 128.6 Ų | 128.6 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 1.8 | 179.7 | -57.4 | -71.4 | 0 | 0 | 0 | 113.5 | T72 | T72-F74 PolarHBondContact O-N 3.18Å; T72-F74 PolarHBondContact OG1-N 3.17Å |
| 75 | G | 78.8 | Confident | 72.1 | Confident | 32 Ų | 32 | 121.8 Ų | 121.8 | 33% | 0.33 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 121.3 | -169.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T72 T77 | T72-G75 PolarHBondContact N-O 3.42Å; T72-G75 PolarHBondContact O-N 3.26Å; T72-G75 PolarHBondContact OG1-O 3.04Å; G75-T77 PolarHBondContact O-N 3.14Å |
| 76 | R | 79.9 | Confident | 72 | Confident | 170 Ų | 170 | 116.4 Ų | 116.4 | 64% | 0.642 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76 | 123.3 | -179.8 | -68.5 | 176.4 | 79.4 | 168.6 | -0.6 | 110.6 | K70 L71 E78 | K70-R76 CarbonylContact O-C 3.43Å; K70-R76 WeakPolarHBondContact O-CA 3.17Å; L71-R76 HydrophobicContact CD1-CB 4.41Å; L71-R76 HydrophobicContact CD1-CG 3.29Å; R76-E78 IonicContact CZ-OE1 3.83Å; R76-E78 IonicContact CZ-OE2 2.79Å; R76-E78 IonicContact NE-OE1 3.92Å; R76-E78 PolarHBondContact NE-OE1 2.87Å; R76-E78 IonicContact NE-OE2 2.78Å; R76-E78 IonicContact NH2-OE1 3.33Å; R76-E78 PolarHBondContact NH2-OE1 3.33Å; R76-E78 IonicContact NH2-OE2 3.43Å; R76-E78 PolarHBondContact NH2-OE2 2.63Å; R76-E78 PolarHBondContact O-N 3.3Å; R76-E78 VanDerWaalsContact O-N 3.11Å |
| 77 | T | 78.4 | Confident | 71.8 | Confident | 87 Ų | 87 | 117.5 Ų | 117.5 | 53% | 0.534 | 64% | 0.639 | S | S | . | * | trans | -83.6 | 69 | 169.4 | 53 | 0 | 0 | 0 | 0 | 109.2 | K70 T72 G75 | K70-T77 PolarHBondContact O-N 3.02Å; K70-T77 PolarHBondContact O-OG1 3.15Å; K70-T77 VanDerWaalsContact O-OG1 3.12Å; T72-T77 HydrophobicContact CG2-CG2 3.5Å; T72-T77 VanDerWaalsContact CG2-CG2 3.5Å; G75-T77 PolarHBondContact O-N 3.14Å | ||
| 78 | E | 73.8 | Confident | 71.1 | Confident | 83 Ų | 83 | 116.4 Ų | 116.4 | 39% | 0.388 | 65% | 0.647 | S | S | . | * | trans | -122.3 | 146.1 | 171.9 | -75.7 | 173.8 | -151.9 | 0 | 0 | 108.7 | K70 R76 | K70-E78 HydrophobicContact CB-CG 4.03Å; K70-E78 HydrophobicContact CD-CG 3.54Å; K70-E78 HydrophobicContact CG-CG 4.41Å; R76-E78 IonicContact CZ-OE1 3.83Å; R76-E78 IonicContact CZ-OE2 2.79Å; R76-E78 IonicContact NE-OE1 3.92Å; R76-E78 PolarHBondContact NE-OE1 2.87Å; R76-E78 IonicContact NE-OE2 2.78Å; R76-E78 IonicContact NH2-OE1 3.33Å; R76-E78 PolarHBondContact NH2-OE1 3.33Å; R76-E78 IonicContact NH2-OE2 3.43Å; R76-E78 PolarHBondContact NH2-OE2 2.63Å; R76-E78 PolarHBondContact O-N 3.3Å; R76-E78 VanDerWaalsContact O-N 3.11Å | ||
| 79 | T | 77.3 | Confident | 70.2 | Confident | 125 Ų | 125 | 126 Ų | 126 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | trans | -62.9 | 149.3 | 167 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | S81 | T79-S81 PolarHBondContact O-N 3.5Š| ||
| 80 | P | 74.6 | Confident | 69.1 | Low | 91 Ų | 91 | 133.7 Ų | 133.7 | 59% | 0.591 | 68% | 0.677 | S | S | * | * | trans | -54.8 | 118.2 | 180 | 19.2 | -30.3 | 0 | 0 | 0 | 110.4 | Y82 | P80-Y82 HydrophobicContact CB-CE2 3.96Å; P80-Y82 HydrophobicContact CG-CE2 3.94Å; P80-Y82 VanDerWaalsContact O-CD2 3.32Å; P80-Y82 WeakPolarHBondContact O-CD2 3.32Å; P80-Y82 WeakPolarHBondContact O-CE2 3.16Å; P80-Y82 PolarHBondContact O-N 2.58Å | ||
| 81 | S | 67.3 | Low | 67.8 | Low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | trans | -84.1 | 113.1 | 177 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | T79 | T79-S81 PolarHBondContact O-N 3.5Š| ||
| 82 | Y | 69.5 | Low | 66.6 | Low | 198 Ų | 198 | 133.4 Ų | 133.4 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | trans | -93.7 | 120.2 | 175.4 | -59.5 | -80.8 | 0 | 0 | 0 | 109.1 | P80 | P80-Y82 HydrophobicContact CB-CE2 3.96Å; P80-Y82 HydrophobicContact CG-CE2 3.94Å; P80-Y82 VanDerWaalsContact O-CD2 3.32Å; P80-Y82 WeakPolarHBondContact O-CD2 3.32Å; P80-Y82 WeakPolarHBondContact O-CE2 3.16Å; P80-Y82 PolarHBondContact O-N 2.58Å | ||
| 83 | S | 67 | Low | 65.2 | Low | 81 Ų | 81 | 138.8 Ų | 138.8 | 57% | 0.566 | 71% | 0.71 | S | S | * | * | trans | -89.4 | 125.1 | 170.4 | 71.4 | 0 | 0 | 0 | 0 | 109.8 | S85 | S83-S85 PolarHBondContact O-N 3.16Å; S83-S85 PolarHBondContact OG-O 3.34Å | ||
| 84 | M | 62.4 | Low | 63.8 | Low | 198 Ų | 198 | 139.2 Ų | 139.2 | 98% | 0.975 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -73 | -13.7 | 171.9 | -64.4 | -145.9 | -61.1 | 0 | 0 | 112.8 | ||
| 85 | S | 64.3 | Low | 62.5 | Low | 87 Ų | 87 | 137.6 Ų | 137.6 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -82.6 | 120.8 | 168.2 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | S83 R87 | S83-S85 PolarHBondContact O-N 3.16Å; S83-S85 PolarHBondContact OG-O 3.34Å; S85-R87 PolarHBondContact O-N 3.4Å |
| 86 | G | 56.1 | Low | 61.3 | Low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 128.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | G88 | G86-G88 PolarHBondContact O-N 2.86Š|
| 87 | R | 60.8 | Low | 60.1 | Low | 235 Ų | 235 | 138.9 Ų | 138.9 | 89% | 0.887 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -50 | 121.1 | 167.7 | -77.4 | -161.4 | -95 | -120.1 | 1.1 | 107.2 | S85 R89 | S85-R87 PolarHBondContact O-N 3.4Å; R87-R89 PolarHBondContact O-N 2.92Å |
| 88 | G | 50.6 | Low | 59 | Low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 116.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | G86 R90 | G86-G88 PolarHBondContact O-N 2.86Å; G88-R90 PolarHBondContact O-N 2.74Å |
| 89 | R | 49 | Very low | 58.4 | Low | 234 Ų | 234 | 146.1 Ų | 146.1 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 132.3 | 171.1 | -73.7 | -173 | -177 | -154.4 | 1.3 | 106.1 | R87 I91 | R87-R89 PolarHBondContact O-N 2.92Å; R89-I91 PolarHBondContact O-N 2.96Å; R89-I91 VanDerWaalsContact O-N 3.08Å |
| 90 | R | 50.5 | Low | 57.7 | Low | 243 Ų | 243 | 144.9 Ų | 144.9 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | trans | -43 | 125.7 | 173.1 | -68.8 | -156.8 | -178.7 | -150.4 | 3.3 | 107.1 | G88 G92 | G88-R90 PolarHBondContact O-N 2.74Å; R90-G92 PolarHBondContact O-N 3.23Å | ||
| 91 | I | 48.8 | Very low | 57.8 | Low | 156 Ų | 156 | 143.4 Ų | 143.4 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | trans | -68.9 | 70.9 | 178.3 | -60.9 | 159.8 | 0 | 0 | 0 | 107.1 | R89 | R89-I91 PolarHBondContact O-N 2.96Å; R89-I91 VanDerWaalsContact O-N 3.08Å | ||
| 92 | G | 52.2 | Low | 58.1 | Low | 55 Ų | 55 | 139.8 Ų | 139.8 | 57% | 0.567 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -69.7 | 139.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | R90 R94 | R90-G92 PolarHBondContact O-N 3.23Å; G92-R94 PolarHBondContact O-N 2.67Å |
| 93 | K | 50.7 | Low | 58.1 | Low | 177 Ų | 177 | 137.2 Ų | 137.2 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | -39.2 | 130.2 | -177.5 | -64.3 | -178.1 | 176.9 | -176.1 | 0 | 110.5 | D95 E96 | K93-D95 PolarHBondContact O-N 3.09Å; K93-E96 PolarHBondContact O-N 2.73Å | ||
| 94 | R | 48.6 | Very low | 58.2 | Low | 236 Ų | 236 | 137 Ų | 137 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 0.5 | -171.9 | -77.7 | -163 | 177.2 | -103.7 | 5.7 | 115.3 | G92 | G92-R94 PolarHBondContact O-N 2.67Š|
| 95 | D | 52.7 | Low | 58.9 | Low | 142 Ų | 142 | 130.5 Ų | 130.5 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -1.9 | -173 | -54.1 | -41.5 | 0 | 0 | 0 | 114.5 | K93 | K93-D95 PolarHBondContact O-N 3.09Š|
| 96 | E | 53.4 | Low | 59.2 | Low | 137 Ų | 137 | 133.2 Ų | 133.2 | 64% | 0.64 | 71% | 0.707 | S | S | * | * | trans | -104.9 | 113.1 | 175.7 | -78.6 | -68.7 | 147.5 | 0 | 0 | 110.2 | K93 | K93-E96 PolarHBondContact O-N 2.73Š| ||
| 97 | P | 54.7 | Low | 60.1 | Low | 93 Ų | 93 | 132.7 Ų | 132.7 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | trans | -57.4 | 158.5 | 163.4 | 24.4 | -26.5 | 0 | 0 | 0 | 108.7 | Q99 | P97-Q99 PolarHBondContact O-N 3.17Å; P97-Q99 PolarHBondContact O-OE1 3.27Å | ||
| 98 | F | 55.3 | Low | 60.4 | Low | 193 Ų | 193 | 126.4 Ų | 126.4 | 85% | 0.846 | 68% | 0.682 | S | S | * | * | trans | -60.8 | 88.8 | 177.5 | -179 | -98.3 | 0 | 0 | 0 | 109.5 | T100 | F98-T100 HydrophobicContact CE1-CG2 4.17Å; F98-T100 PolarHBondContact O-N 2.9Å | ||
| 99 | Q | 60.3 | Low | 61.5 | Low | 128 Ų | 128 | 132.1 Ų | 132.1 | 60% | 0.598 | 69% | 0.689 | S | S | * | * | trans | -72.8 | 109.7 | 176.4 | -129.5 | 85.6 | -15.8 | 0 | 0 | 106.4 | P97 | P97-Q99 PolarHBondContact O-N 3.17Å; P97-Q99 PolarHBondContact O-OE1 3.27Å | ||
| 100 | T | 63.3 | Low | 62.4 | Low | 100 Ų | 100 | 131.2 Ų | 131.2 | 61% | 0.613 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 126.6 | 163.9 | 31.1 | 0 | 0 | 0 | 0 | 107.5 | F98 G102 | F98-T100 HydrophobicContact CE1-CG2 4.17Å; F98-T100 PolarHBondContact O-N 2.9Å; T100-G102 PolarHBondContact O-N 3.16Å |
| 101 | P | 75.6 | Confident | 63.1 | Low | 59 Ų | 59 | 122.3 Ų | 122.3 | 38% | 0.383 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 134.8 | -179.1 | 14.9 | -22.6 | 0 | 0 | 0 | 109.2 | A105 Y106 | P101-A105 HydrophobicContact CB-CB 3.68Å; P101-Y106 HydrophobicContact CB-CE2 4.28Å; P101-Y106 HydrophobicContact CG-CD1 4.26Å; P101-Y106 HydrophobicContact CG-CE1 3.74Å; P101-Y106 HydrophobicContact CG-CE2 4.04Å; P101-Y106 WeakPolarHBondContact O-CE2 3.46Å |
| 102 | G | 74.9 | Confident | 63.8 | Low | 39 Ų | 39 | 119.2 Ų | 119.2 | 40% | 0.402 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 167.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | T100 G104 A105 | T100-G102 PolarHBondContact O-N 3.16Å; G102-G104 PolarHBondContact O-N 3.13Å; G102-A105 PolarHBondContact O-N 2.76Å |
| 103 | P | 69.1 | Low | 64.5 | Low | 145 Ų | 145 | 120.9 Ų | 120.9 | 94% | 0.942 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -1.5 | -171.3 | 21.7 | -32.4 | 0 | 0 | 0 | 116.7 | ||
| 104 | G | 69.6 | Low | 65 | Low | 76 Ų | 76 | 121.1 Ų | 121.1 | 78% | 0.784 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 1.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G102 | G102-G104 PolarHBondContact O-N 3.13Š|
| 105 | A | 75.7 | Confident | 65.2 | Low | 62 Ų | 62 | 114.2 Ų | 114.2 | 51% | 0.512 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | -7.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P101 G102 S107 | P101-A105 HydrophobicContact CB-CB 3.68Å; G102-A105 PolarHBondContact O-N 2.76Å; A105-S107 PolarHBondContact O-N 3.41Å |
| 106 | Y | 72 | Confident | 65.5 | Low | 144 Ų | 144 | 112.7 Ų | 112.7 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | trans | -74.1 | 116.8 | 169 | -67.9 | -86.4 | 0 | 0 | 0 | 109.2 | P101 P108 | P101-Y106 HydrophobicContact CB-CE2 4.28Å; P101-Y106 HydrophobicContact CG-CD1 4.26Å; P101-Y106 HydrophobicContact CG-CE1 3.74Å; P101-Y106 HydrophobicContact CG-CE2 4.04Å; P101-Y106 WeakPolarHBondContact O-CE2 3.46Å; Y106-P108 VanDerWaalsContact C-CD 3.45Å; Y106-P108 VanDerWaalsContact O-CD 3.23Å; Y106-P108 WeakPolarHBondContact O-CD 3.14Å | ||
| 107 | S | 74.9 | Confident | 65.8 | Low | 61 Ų | 61 | 113.2 Ų | 113.2 | 43% | 0.427 | 65% | 0.654 | S | S | . | * | trans | -110.3 | 78.9 | 168.8 | -57.3 | 0 | 0 | 0 | 0 | 108.8 | A105 E109 R110 | A105-S107 PolarHBondContact O-N 3.41Å; S107-E109 PolarHBondContact O-N 3.43Å; S107-R110 WeakPolarHBondContact O-CB 3.42Å; S107-R110 PolarHBondContact O-N 3.06Å | ||
| 108 | P | 67.1 | Low | 65.9 | Low | 103 Ų | 103 | 120.7 Ų | 120.7 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -60.8 | -25.3 | -178 | 26.3 | -34.7 | 0 | 0 | 0 | 112.3 | Y106 R110 A111 | Y106-P108 VanDerWaalsContact C-CD 3.45Å; Y106-P108 VanDerWaalsContact O-CD 3.23Å; Y106-P108 WeakPolarHBondContact O-CD 3.14Å; P108-R110 PolarHBondContact O-N 3.04Å; P108-A111 VanDerWaalsContact O-CB 3.24Å; P108-A111 WeakPolarHBondContact O-CB 3.43Å; P108-A111 PolarHBondContact O-N 3.01Å; P108-A111 VanDerWaalsContact O-N 3.11Å |
| 109 | E | 73.3 | Confident | 66.1 | Low | 192 Ų | 192 | 120.4 Ų | 120.4 | 90% | 0.897 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -66 | -24.9 | 174.6 | -57.4 | -177.5 | 172.3 | 0 | 0 | 113.6 | S107 | S107-E109 PolarHBondContact O-N 3.43Š|
| 110 | R | 68 | Low | 65.9 | Low | 215 Ų | 215 | 119.7 Ų | 119.7 | 81% | 0.811 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -88.3 | -11.9 | 175.4 | -64.5 | -177.8 | 176.2 | 179.3 | -1.6 | 112.3 | S107 P108 | S107-R110 WeakPolarHBondContact O-CB 3.42Å; S107-R110 PolarHBondContact O-N 3.06Å; P108-R110 PolarHBondContact O-N 3.04Å |
| 111 | A | 64.9 | Low | 65.8 | Low | 56 Ų | 56 | 119.1 Ų | 119.1 | 46% | 0.463 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -64.7 | 130.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 107 | P108 | P108-A111 VanDerWaalsContact O-CB 3.24Å; P108-A111 WeakPolarHBondContact O-CB 3.43Å; P108-A111 PolarHBondContact O-N 3.01Å; P108-A111 VanDerWaalsContact O-N 3.11Å |
| 112 | P | 64.5 | Low | 65.6 | Low | 91 Ų | 91 | 121.9 Ų | 121.9 | 59% | 0.591 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.8 | 173 | 19 | -26.6 | 0 | 0 | 0 | 107.5 | L114 | P112-L114 PolarHBondContact O-N 3.16Š|
| 113 | P | 66.8 | Low | 65.1 | Low | 90 Ų | 90 | 129.4 Ų | 129.4 | 58% | 0.584 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.9 | -179 | 25.5 | -35.1 | 0 | 0 | 0 | 107.2 | N115 | P113-N115 WeakPolarHBondContact CB-OD1 3.47Å; P113-N115 PolarHBondContact O-N 3.2Å |
| 114 | L | 60 | Low | 65 | Low | 181 Ų | 181 | 127.1 Ų | 127.1 | 95% | 0.948 | 69% | 0.689 | S | S | * | * | trans | -70.9 | 59.7 | -179.2 | -146.9 | 122.2 | 0 | 0 | 0 | 108.2 | P112 A116 | P112-L114 PolarHBondContact O-N 3.16Å; L114-A116 PolarHBondContact O-N 2.97Å | ||
| 115 | N | 54 | Low | 65.2 | Low | 91 Ų | 91 | 132.2 Ų | 132.2 | 49% | 0.487 | 70% | 0.697 | S | S | . | * | trans | -67.2 | 123.4 | -178.6 | -69.2 | -12.3 | 0 | 0 | 0 | 105.4 | P113 H117 | P113-N115 WeakPolarHBondContact CB-OD1 3.47Å; P113-N115 PolarHBondContact O-N 3.2Å; N115-H117 PolarHBondContact O-N 3.18Å | ||
| 116 | A | 57.7 | Low | 64.8 | Low | 110 Ų | 110 | 133.7 Ų | 133.7 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -57.9 | 13.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L114 | L114-A116 PolarHBondContact O-N 2.97Š|
| 117 | H | 59.8 | Low | 64.7 | Low | 149 Ų | 149 | 134.2 Ų | 134.2 | 69% | 0.69 | 71% | 0.711 | S | S | * | * | trans | -89.2 | 118 | 177.6 | -63.5 | -53.5 | 0 | 0 | 0 | 110.4 | N115 R119 | N115-H117 PolarHBondContact O-N 3.18Å; H117-R119 PolarHBondContact O-N 2.77Å | ||
| 118 | R | 57.9 | Low | 64.6 | Low | 250 Ų | 250 | 141.4 Ų | 141.4 | 94% | 0.943 | 73% | 0.729 | S | S | * | * | trans | -55 | 105.2 | 170.6 | -167.9 | 178.9 | -173.3 | -142.8 | 3.3 | 109.3 | ||||
| 119 | R | 59 | Low | 64.3 | Low | 187 Ų | 187 | 142.6 Ų | 142.6 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 132.7 | 173.6 | -73.4 | -176.5 | 161.3 | -176.9 | -4.5 | 109.5 | H117 | H117-R119 PolarHBondContact O-N 2.77Š|
| 120 | P | 56.9 | Low | 63.8 | Low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145.5 | 171.6 | 27.1 | -33 | 0 | 0 | 0 | 109.4 | S122 | P120-S122 PolarHBondContact O-N 2.98Š|
| 121 | P | 60.8 | Low | 63.6 | Low | 87 Ų | 87 | 144.2 Ų | 144.2 | 57% | 0.565 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122.6 | 178.6 | 27 | -35.1 | 0 | 0 | 0 | 110.2 | Y123 | P121-Y123 HydrophobicContact CB-CD2 4.18Å; P121-Y123 HydrophobicContact CB-CE1 4.3Å; P121-Y123 HydrophobicContact CB-CE2 3.45Å; P121-Y123 VanDerWaalsContact CB-CE2 3.45Å; P121-Y123 WeakPolarHBondContact CB-OH 3.47Å; P121-Y123 HydrophobicContact CG-CD2 4.31Å; P121-Y123 HydrophobicContact CG-CE2 3.42Å; P121-Y123 VanDerWaalsContact CG-CE2 3.42Å; P121-Y123 PolarHBondContact O-N 3.4Å |
| 122 | S | 70.8 | Confident | 63.5 | Low | 118 Ų | 118 | 152.6 Ų | 152.6 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -86.2 | 106.1 | 173.5 | 61.4 | 0 | 0 | 0 | 0 | 109.5 | P120 | P120-S122 PolarHBondContact O-N 2.98Š| ||
| 123 | Y | 65.3 | Low | 63.6 | Low | 196 Ų | 196 | 153.8 Ų | 153.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -98.7 | 126.6 | 175.5 | -60.3 | -74.3 | 0 | 0 | 0 | 109.9 | P121 | P121-Y123 HydrophobicContact CB-CD2 4.18Å; P121-Y123 HydrophobicContact CB-CE1 4.3Å; P121-Y123 HydrophobicContact CB-CE2 3.45Å; P121-Y123 VanDerWaalsContact CB-CE2 3.45Å; P121-Y123 WeakPolarHBondContact CB-OH 3.47Å; P121-Y123 HydrophobicContact CG-CD2 4.31Å; P121-Y123 HydrophobicContact CG-CE2 3.42Å; P121-Y123 VanDerWaalsContact CG-CE2 3.42Å; P121-Y123 PolarHBondContact O-N 3.4Å | ||
| 124 | T | 66.2 | Low | 63.5 | Low | 97 Ų | 97 | 157.5 Ų | 157.5 | 60% | 0.595 | 78% | 0.775 | S | S | * | * | trans | -101.3 | 124.3 | 168.2 | 52.6 | 0 | 0 | 0 | 0 | 108.4 | S126 | T124-S126 PolarHBondContact O-N 2.78Š| ||
| 125 | I | 74.8 | Confident | 63.8 | Low | 183 Ų | 183 | 155.5 Ų | 155.5 | 94% | 0.938 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -70.7 | -20.7 | -178.8 | -59.5 | 170.2 | 0 | 0 | 0 | 111.4 | ||
| 126 | S | 67.4 | Low | 64.7 | Low | 94 Ų | 94 | 156.9 Ų | 156.9 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -153.4 | 165.4 | 175.4 | -168.2 | 0 | 0 | 0 | 0 | 111 | T124 R128 | T124-S126 PolarHBondContact O-N 2.78Å; S126-R128 PolarHBondContact O-N 2.98Å |
| 127 | E | 69.9 | Low | 65.7 | Low | 155 Ų | 155 | 157 Ų | 157 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.6 | 170.9 | -170.5 | 171.7 | -177.4 | 0 | 0 | 109 | T129 | E127-T129 PolarHBondContact O-N 3.45Å; E127-T129 VanDerWaalsContact O-N 3.14Å |
| 128 | R | 71 | Confident | 66.7 | Low | 211 Ų | 211 | 152.6 Ų | 152.6 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 118 | 173.9 | -62.8 | 179.3 | 104.7 | 133.9 | 1.5 | 106.3 | S126 R130 | S126-R128 PolarHBondContact O-N 2.98Å; R128-R130 PolarHBondContact O-N 3.45Å; R128-R130 VanDerWaalsContact O-N 3.1Å |
| 129 | T | 61.4 | Low | 67.9 | Low | 129 Ų | 129 | 142.8 Ų | 142.8 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 123.2 | 174.7 | 44 | 0 | 0 | 0 | 0 | 107.5 | E127 Y131 | E127-T129 PolarHBondContact O-N 3.45Å; E127-T129 VanDerWaalsContact O-N 3.14Å; T129-Y131 PolarHBondContact O-N 3.4Å; T129-Y131 VanDerWaalsContact O-N 3.13Å |
| 130 | R | 62.9 | Low | 68.9 | Low | 220 Ų | 220 | 139.8 Ų | 139.8 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 127.4 | 169.5 | -67.4 | -174.7 | -174.5 | -175 | 1.3 | 105.5 | R128 R132 | R128-R130 PolarHBondContact O-N 3.45Å; R128-R130 VanDerWaalsContact O-N 3.1Å; R130-R132 PolarHBondContact O-N 3.33Å |
| 131 | Y | 63.2 | Low | 70.2 | Confident | 221 Ų | 221 | 140.9 Ų | 140.9 | 87% | 0.867 | 73% | 0.73 | S | S | * | * | trans | -45.7 | 124.2 | 166.3 | -66.8 | -76.8 | 0 | 0 | 0 | 105.9 | T129 S133 | T129-Y131 PolarHBondContact O-N 3.4Å; T129-Y131 VanDerWaalsContact O-N 3.13Å; Y131-S133 PolarHBondContact O-N 2.84Å | ||
| 132 | R | 63.6 | Low | 71.3 | Confident | 231 Ų | 231 | 139.9 Ų | 139.9 | 87% | 0.872 | 73% | 0.725 | S | S | * | * | trans | -45.8 | 133.8 | 171.7 | -81.9 | -174.9 | 168.3 | 174 | -3.7 | 105.8 | R130 M134 | R130-R132 PolarHBondContact O-N 3.33Å; R132-M134 VanDerWaalsContact C-N 3.34Å; R132-M134 PolarHBondContact O-N 2.95Å | ||
| 133 | S | 65.8 | Low | 71.8 | Confident | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -48 | 112.8 | 166.6 | -172.9 | 0 | 0 | 0 | 0 | 104.5 | Y131 D135 | Y131-S133 PolarHBondContact O-N 2.84Å; S133-D135 PolarHBondContact O-N 3.09Å | ||
| 134 | M | 65.1 | Low | 72.5 | Confident | 168 Ų | 168 | 138.8 Ų | 138.8 | 83% | 0.828 | 72% | 0.717 | S | S | * | * | trans | -54.2 | 132.8 | 174.3 | -62.2 | -161.1 | -152.1 | 0 | 0 | 104.5 | R132 | R132-M134 VanDerWaalsContact C-N 3.34Å; R132-M134 PolarHBondContact O-N 2.95Å | ||
| 135 | D | 66.9 | Low | 73 | Confident | 139 Ų | 139 | 141.8 Ų | 141.8 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -48.3 | 133.6 | 166.3 | -77.5 | -40.1 | 0 | 0 | 0 | 106 | S133 V137 | S133-D135 PolarHBondContact O-N 3.09Å; D135-V137 PolarHBondContact O-N 2.64Å | ||
| 136 | P | 73.4 | Confident | 73 | Confident | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | trans | -65.3 | 86.5 | 179.8 | 27.6 | -33.5 | 0 | 0 | 0 | 107.1 | P138 | P136-P138 WeakPolarHBondContact O-CD 3.39Š| ||
| 137 | V | 78.1 | Confident | 73.3 | Confident | 114 Ų | 114 | 133.6 Ų | 133.6 | 69% | 0.691 | 69% | 0.692 | S | S | * | * | trans | -71 | 112.2 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 103.9 | D135 A139 | D135-V137 PolarHBondContact O-N 2.64Å; V137-A139 PolarHBondContact O-N 3.2Å | ||
| 138 | P | 81.6 | Confident | 73.3 | Confident | 56 Ų | 56 | 133.7 Ų | 133.7 | 36% | 0.364 | 70% | 0.697 | S | S | . | * | trans | -56.2 | 140.3 | 177.4 | 23.5 | -31.7 | 0 | 0 | 0 | 108.4 | P136 Y143 | P136-P138 WeakPolarHBondContact O-CD 3.39Å; P138-Y143 HydrophobicContact CG-CD1 4.38Å; P138-Y143 HydrophobicContact CG-CE1 3.8Å; P138-Y143 HydrophobicContact CG-CE2 4.34Å | ||
| 139 | A | 82.3 | Confident | 73.2 | Confident | 43 Ų | 43 | 130.4 Ų | 130.4 | 36% | 0.355 | 69% | 0.694 | S | S | . | * | trans | -56.7 | 155.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V137 N141 S142 | V137-A139 PolarHBondContact O-N 3.2Å; A139-N141 WeakPolarHBondContact CB-OD1 3.36Å; A139-N141 PolarHBondContact O-N 2.85Å; A139-S142 WeakPolarHBondContact O-CA 3.13Å; A139-S142 WeakPolarHBondContact O-CB 3.32Å; A139-S142 PolarHBondContact O-N 2.96Å | ||
| 140 | P | 79.3 | Confident | 73.6 | Confident | 124 Ų | 124 | 124.9 Ų | 124.9 | 81% | 0.805 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -22.2 | -178 | 18.6 | -31 | 0 | 0 | 0 | 113.9 | ||
| 141 | N | 84.2 | Confident | 73.7 | Confident | 137 Ų | 137 | 120 Ų | 120 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -2 | 174.1 | 63.9 | -21.5 | 0 | 0 | 0 | 114.7 | A139 | A139-N141 WeakPolarHBondContact CB-OD1 3.36Å; A139-N141 PolarHBondContact O-N 2.85Å |
| 142 | S | 84.7 | Confident | 73.9 | Confident | 65 Ų | 65 | 115.6 Ų | 115.6 | 46% | 0.455 | 65% | 0.647 | S | S | . | * | trans | -94.6 | -0.9 | -179.1 | -70.1 | 0 | 0 | 0 | 0 | 113.8 | A139 T144 | A139-S142 WeakPolarHBondContact O-CA 3.13Å; A139-S142 WeakPolarHBondContact O-CB 3.32Å; A139-S142 PolarHBondContact O-N 2.96Å; S142-T144 PolarHBondContact O-N 3.36Å; S142-T144 VanDerWaalsContact O-N 3.16Å | ||
| 143 | Y | 81.4 | Confident | 74.5 | Confident | 163 Ų | 163 | 105.6 Ų | 105.6 | 64% | 0.639 | 61% | 0.612 | S | S | * | * | trans | -75.3 | 102.7 | 171.4 | -65.7 | -80.6 | 0 | 0 | 0 | 109.6 | P138 | P138-Y143 HydrophobicContact CG-CD1 4.38Å; P138-Y143 HydrophobicContact CG-CE1 3.8Å; P138-Y143 HydrophobicContact CG-CE2 4.34Å | ||
| 144 | T | 80.2 | Confident | 74.8 | Confident | 129 Ų | 129 | 106.2 Ų | 106.2 | 79% | 0.791 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 132.9 | 168.4 | 51.6 | 0 | 0 | 0 | 0 | 109.5 | S142 | S142-T144 PolarHBondContact O-N 3.36Å; S142-T144 VanDerWaalsContact O-N 3.16Å |
| 145 | L | 76.1 | Confident | 75.5 | Confident | 159 Ų | 159 | 105.2 Ų | 105.2 | 83% | 0.832 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.6 | 169.8 | -64.6 | 176 | 0 | 0 | 0 | 108.8 | ||
| 146 | P | 74 | Confident | 76 | Confident | 68 Ų | 68 | 105 Ų | 105 | 44% | 0.442 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 145.8 | 171.1 | 25 | -32.2 | 0 | 0 | 0 | 109.7 | L148 | P146-L148 PolarHBondContact O-N 3.46Š|
| 147 | G | 75.3 | Confident | 76 | Confident | 38 Ų | 38 | 105.9 Ų | 105.9 | 39% | 0.392 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 130.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111 | L149 Q152 | G147-L149 PolarHBondContact O-N 3.47Å; G147-Q152 WeakPolarHBondContact O-CB 3.24Å |
| 148 | L | 68.9 | Low | 75.8 | Confident | 157 Ų | 157 | 103 Ų | 103 | 82% | 0.822 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -79 | -3.6 | 179.3 | -63.9 | 175.7 | 0 | 0 | 0 | 113 | P146 V153 | P146-L148 PolarHBondContact O-N 3.46Å; L148-V153 HydrophobicContact CD2-CG2 4.41Å |
| 149 | L | 69.6 | Low | 75.2 | Confident | 141 Ų | 141 | 105.7 Ų | 105.7 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -92.6 | 120.8 | 178.2 | -157.3 | 89.8 | 0 | 0 | 0 | 109.8 | G147 | G147-L149 PolarHBondContact O-N 3.47Š|
| 150 | G | 68.4 | Low | 74.9 | Confident | 14 Ų | 14 | 106.8 Ų | 106.8 | 14% | 0.144 | 62% | 0.622 | C | S | . | * | S | Bend | trans | 77.7 | -164.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q152 A158 | G150-Q152 PolarHBondContact O-N 2.82Å; G150-A158 WeakPolarHBondContact O-CB 3.49Å |
| 151 | P | 66.8 | Low | 74.4 | Confident | 118 Ų | 118 | 103.7 Ų | 103.7 | 77% | 0.766 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -79.3 | 32.2 | -168.1 | 34.1 | -37.5 | 0 | 0 | 0 | 114.2 | V153 A158 | P151-V153 VanDerWaalsContact C-N 3.32Å; P151-V153 PolarHBondContact O-N 3.19Å; P151-A158 HydrophobicContact CB-CB 4.35Å |
| 152 | Q | 67.4 | Low | 73.8 | Confident | 127 Ų | 127 | 107 Ų | 107 | 59% | 0.593 | 61% | 0.607 | S | S | * | * | trans | -84.9 | -3 | -174.4 | -67.5 | -131.9 | -7.7 | 0 | 0 | 114.1 | G147 G150 P154 | G147-Q152 WeakPolarHBondContact O-CB 3.24Å; G150-Q152 PolarHBondContact O-N 2.82Å; Q152-P154 WeakPolarHBondContact O-CD 3.41Å | ||
| 153 | V | 75.8 | Confident | 73.1 | Confident | 22 Ų | 22 | 108.9 Ų | 108.9 | 13% | 0.133 | 62% | 0.62 | C | S | . | * | trans | -104.6 | 109.5 | 178 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | L148 P151 H155 K156 | L148-V153 HydrophobicContact CD2-CG2 4.41Å; P151-V153 VanDerWaalsContact C-N 3.32Å; P151-V153 PolarHBondContact O-N 3.19Å; V153-H155 WeakPolarHBondContact CG1-CE1 3.34Å; V153-H155 WeakPolarHBondContact CG1-ND1 3.08Å; V153-H155 PolarHBondContact O-N 3.03Å; V153-H155 VanDerWaalsContact O-N 3.12Å; V153-K156 HydrophobicContact CB-CB 4.44Å; V153-K156 HydrophobicContact CG1-CB 4.01Å; V153-K156 HydrophobicContact CG1-CD 4.27Å; V153-K156 HydrophobicContact CG1-CG 4.1Å; V153-K156 PolarHBondContact O-N 2.89Å | ||
| 154 | P | 72.4 | Confident | 72.5 | Confident | 129 Ų | 129 | 110.9 Ų | 110.9 | 84% | 0.838 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -23.7 | -173.2 | -24.1 | 33.1 | 0 | 0 | 0 | 115.1 | Q152 | Q152-P154 WeakPolarHBondContact O-CD 3.41Š|
| 155 | H | 79.2 | Confident | 71.8 | Confident | 146 Ų | 146 | 110.1 Ų | 110.1 | 68% | 0.676 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 7.2 | -171.4 | 63.9 | -86.5 | 0 | 0 | 0 | 113.7 | V153 | V153-H155 WeakPolarHBondContact CG1-CE1 3.34Å; V153-H155 WeakPolarHBondContact CG1-ND1 3.08Å; V153-H155 PolarHBondContact O-N 3.03Å; V153-H155 VanDerWaalsContact O-N 3.12Å |
| 156 | K | 75.9 | Confident | 71.3 | Confident | 136 Ų | 136 | 105.7 Ų | 105.7 | 59% | 0.591 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -134.3 | 134.4 | 178.6 | -67.7 | -177.2 | -178.9 | 179.2 | 0 | 110.4 | V153 A158 | V153-K156 HydrophobicContact CB-CB 4.44Å; V153-K156 HydrophobicContact CG1-CB 4.01Å; V153-K156 HydrophobicContact CG1-CD 4.27Å; V153-K156 HydrophobicContact CG1-CG 4.1Å; V153-K156 PolarHBondContact O-N 2.89Å; K156-A158 PolarHBondContact O-N 3.3Å |
| 157 | P | 74.3 | Confident | 70.7 | Confident | 138 Ų | 138 | 114 Ų | 114 | 90% | 0.896 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 128.5 | 170.2 | 28.2 | -32.6 | 0 | 0 | 0 | 109.1 | ||
| 158 | A | 73.4 | Confident | 70 | Confident | 53 Ų | 53 | 123.2 Ų | 123.2 | 44% | 0.438 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -103.8 | 141.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | G150 P151 K156 | G150-A158 WeakPolarHBondContact O-CB 3.49Å; P151-A158 HydrophobicContact CB-CB 4.35Å; K156-A158 PolarHBondContact O-N 3.3Å |
| 159 | S | 70.6 | Confident | 69.6 | Low | 112 Ų | 112 | 120 Ų | 120 | 78% | 0.783 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -71 | 155.4 | 169.2 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | S161 | S159-S161 PolarHBondContact O-N 3.01Å; S159-S161 VanDerWaalsContact O-N 3.12Å |
| 160 | A | 74.7 | Confident | 69 | Low | 67 Ų | 67 | 117.3 Ų | 117.3 | 55% | 0.554 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 118.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y162 | A160-Y162 HydrophobicContact CB-CD2 4.17Å; A160-Y162 HydrophobicContact CB-CE1 4.27Å; A160-Y162 HydrophobicContact CB-CE2 3.45Å; A160-Y162 VanDerWaalsContact CB-CE2 3.45Å; A160-Y162 PolarHBondContact O-N 3.13Å |
| 161 | S | 69.1 | Low | 68.8 | Low | 59 Ų | 59 | 117.8 Ų | 117.8 | 41% | 0.413 | 66% | 0.66 | S | S | . | * | trans | -91.9 | 92.5 | 174 | 173.6 | 0 | 0 | 0 | 0 | 108.4 | S159 S163 | S159-S161 PolarHBondContact O-N 3.01Å; S159-S161 VanDerWaalsContact O-N 3.12Å; S161-S163 PolarHBondContact O-N 2.99Å | ||
| 162 | Y | 71.1 | Confident | 68.6 | Low | 206 Ų | 206 | 114.5 Ų | 114.5 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | trans | -76.9 | 104.1 | 173.9 | -58.4 | -78.3 | 0 | 0 | 0 | 109.1 | A160 | A160-Y162 HydrophobicContact CB-CD2 4.17Å; A160-Y162 HydrophobicContact CB-CE1 4.27Å; A160-Y162 HydrophobicContact CB-CE2 3.45Å; A160-Y162 VanDerWaalsContact CB-CE2 3.45Å; A160-Y162 PolarHBondContact O-N 3.13Å | ||
| 163 | S | 69.9 | Low | 68.4 | Low | 104 Ų | 104 | 112.1 Ų | 112.1 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 128.5 | 161.7 | 44.2 | 0 | 0 | 0 | 0 | 108.1 | S161 S165 | S161-S163 PolarHBondContact O-N 2.99Å; S163-S165 PolarHBondContact O-N 3.3Å |
| 164 | F | 69.4 | Low | 68 | Low | 205 Ų | 205 | 115.9 Ų | 115.9 | 90% | 0.899 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -60 | 125.7 | 156.9 | -69 | -80.5 | 0 | 0 | 0 | 106.1 | G166 | F164-G166 PolarHBondContact O-N 3.15Š|
| 165 | S | 65.5 | Low | 68.1 | Low | 113 Ų | 113 | 116.4 Ų | 116.4 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 118.6 | 167.6 | 49.6 | 0 | 0 | 0 | 0 | 106.1 | S163 R167 | S163-S165 PolarHBondContact O-N 3.3Å; S165-R167 PolarHBondContact O-N 3.13Å |
| 166 | G | 66 | Low | 67.8 | Low | 66 Ų | 66 | 111.6 Ų | 111.6 | 68% | 0.68 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 141 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | F164 R168 | F164-G166 PolarHBondContact O-N 3.15Å; G166-R168 PolarHBondContact O-N 2.88Å |
| 167 | R | 62.1 | Low | 67.4 | Low | 243 Ų | 243 | 111.9 Ų | 111.9 | 92% | 0.917 | 64% | 0.644 | S | S | * | * | trans | -34.3 | 112.1 | 178.7 | -94.5 | -177.5 | -86.6 | -98.9 | 0.4 | 108.2 | S165 T169 | S165-R167 PolarHBondContact O-N 3.13Å; R167-T169 PolarHBondContact O-N 2.79Å | ||
| 168 | R | 59.3 | Low | 67.3 | Low | 232 Ų | 232 | 110 Ų | 110 | 88% | 0.875 | 63% | 0.634 | S | S | * | * | trans | -46.5 | 124.1 | 167.5 | 179.8 | -178.4 | -179.1 | -171.7 | 0.2 | 103.9 | G166 A170 | G166-R168 PolarHBondContact O-N 2.88Å; R168-A170 PolarHBondContact O-N 3.1Å | ||
| 169 | T | 60.1 | Low | 67.1 | Low | 89 Ų | 89 | 111.6 Ų | 111.6 | 55% | 0.546 | 63% | 0.631 | S | S | . | * | trans | -60.8 | 89 | 169.9 | 54.5 | 0 | 0 | 0 | 0 | 105.2 | R167 G171 K179 | R167-T169 PolarHBondContact O-N 2.79Å; T169-G171 PolarHBondContact O-N 3.24Å; T169-G171 VanDerWaalsContact O-N 3.15Å; T169-K179 VanDerWaalsContact CB-NZ 3.34Å; T169-K179 PolarHBondContact OG1-NZ 3.28Å | ||
| 170 | A | 57.4 | Low | 67.5 | Low | 84 Ų | 84 | 109.1 Ų | 109.1 | 69% | 0.694 | 61% | 0.612 | S | S | * | * | trans | -73.6 | 106.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 103.3 | R168 | R168-A170 PolarHBondContact O-N 3.1Š| ||
| 171 | G | 64.2 | Low | 67.7 | Low | 24 Ų | 24 | 108.2 Ų | 108.2 | 25% | 0.247 | 60% | 0.6 | C | S | . | * | trans | 158.4 | 134.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T169 E175 | T169-G171 PolarHBondContact O-N 3.24Å; T169-G171 VanDerWaalsContact O-N 3.15Å; G171-E175 WeakPolarHBondContact CA-OE2 3.19Å | ||
| 172 | A | 63.7 | Low | 68.2 | Low | 49 Ų | 49 | 106.9 Ų | 106.9 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | trans | -57.3 | 163 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | S174 E175 D176 | A172-S174 WeakPolarHBondContact CB-OG 3.5Å; A172-S174 PolarHBondContact O-N 3.22Å; A172-E175 PolarHBondContact O-N 3.42Å; A172-D176 PolarHBondContact O-N 3.17Å | ||
| 173 | P | 63.4 | Low | 68.4 | Low | 78 Ų | 78 | 103.3 Ų | 103.3 | 51% | 0.506 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.8 | -17.4 | 173.9 | -24.3 | 33.6 | 0 | 0 | 0 | 114 | T180 | P173-T180 WeakPolarHBondContact O-CG2 3.29Š|
| 174 | S | 67.1 | Low | 68.6 | Low | 101 Ų | 101 | 102.2 Ų | 102.2 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -25.3 | 172.6 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | A172 | A172-S174 WeakPolarHBondContact CB-OG 3.5Å; A172-S174 PolarHBondContact O-N 3.22Å |
| 175 | E | 73.8 | Confident | 69.1 | Low | 139 Ų | 139 | 99.1 Ų | 99.1 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -28.6 | -178.3 | -70 | 174 | -152.8 | 0 | 0 | 112 | G171 A172 | G171-E175 WeakPolarHBondContact CA-OE2 3.19Å; A172-E175 PolarHBondContact O-N 3.42Å |
| 176 | D | 73.4 | Confident | 69.8 | Low | 45 Ų | 45 | 101.2 Ų | 101.2 | 24% | 0.241 | 58% | 0.582 | C | S | . | * | trans | -114.6 | 94.3 | 178.1 | -173.7 | -2.6 | 0 | 0 | 0 | 110.3 | A172 S178 K179 | A172-D176 PolarHBondContact O-N 3.17Å; D176-S178 VanDerWaalsContact CG-OG 3.24Å; D176-S178 PolarHBondContact O-N 3.32Å; D176-S178 VanDerWaalsContact O-N 3.09Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.33Å; D176-S178 VanDerWaalsContact OD1-N 3.16Å; D176-S178 PolarHBondContact OD1-OG 3.09Å; D176-S178 PolarHBondContact OD2-OG 3.22Å; D176-K179 HydrophobicContact CB-CD 4.04Å; D176-K179 HydrophobicContact CB-CG 4.17Å; D176-K179 WeakPolarHBondContact O-CB 3.39Å; D176-K179 PolarHBondContact O-N 2.87Å; D176-K179 WeakPolarHBondContact OD2-CE 3.39Å; D176-K179 IonicContact OD2-NZ 3.25Å | ||
| 177 | L | 67.4 | Low | 70.3 | Confident | 142 Ų | 142 | 109.4 Ų | 109.4 | 74% | 0.743 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -56.5 | -24 | 179.2 | -75.6 | 150.7 | 0 | 0 | 0 | 112.8 | K179 T180 | L177-K179 PolarHBondContact O-N 3.14Å; L177-T180 PolarHBondContact O-N 2.94Å; L177-T180 PolarHBondContact O-OG1 2.71Å |
| 178 | S | 71.2 | Confident | 71.2 | Confident | 100 Ų | 100 | 103.4 Ų | 103.4 | 70% | 0.699 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -67.2 | -19.5 | 175.2 | 77 | 0 | 0 | 0 | 0 | 113.3 | D176 | D176-S178 VanDerWaalsContact CG-OG 3.24Å; D176-S178 PolarHBondContact O-N 3.32Å; D176-S178 VanDerWaalsContact O-N 3.09Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.33Å; D176-S178 VanDerWaalsContact OD1-N 3.16Å; D176-S178 PolarHBondContact OD1-OG 3.09Å; D176-S178 PolarHBondContact OD2-OG 3.22Å |
| 179 | K | 70.7 | Confident | 72.4 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 37% | 0.374 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -93.5 | -10.5 | 176 | -61 | -179.8 | -178 | 166.7 | 0 | 113.3 | T169 D176 L177 P181 | T169-K179 VanDerWaalsContact CB-NZ 3.34Å; T169-K179 PolarHBondContact OG1-NZ 3.28Å; D176-K179 HydrophobicContact CB-CD 4.04Å; D176-K179 HydrophobicContact CB-CG 4.17Å; D176-K179 WeakPolarHBondContact O-CB 3.39Å; D176-K179 PolarHBondContact O-N 2.87Å; D176-K179 WeakPolarHBondContact OD2-CE 3.39Å; D176-K179 IonicContact OD2-NZ 3.25Å; L177-K179 PolarHBondContact O-N 3.14Å; K179-P181 WeakPolarHBondContact O-CD 3.34Å |
| 180 | T | 77.7 | Confident | 73.6 | Confident | 60 Ų | 60 | 97.4 Ų | 97.4 | 37% | 0.368 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -71.3 | 122.7 | 172.2 | 60 | 0 | 0 | 0 | 0 | 108.8 | P173 L177 G182 | P173-T180 WeakPolarHBondContact O-CG2 3.29Å; L177-T180 PolarHBondContact O-N 2.94Å; L177-T180 PolarHBondContact O-OG1 2.71Å; T180-G182 PolarHBondContact O-N 3.38Å |
| 181 | P | 79.8 | Confident | 75.1 | Confident | 48 Ų | 48 | 96.2 Ų | 96.2 | 31% | 0.312 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 125.7 | 177.4 | 24.4 | -31.9 | 0 | 0 | 0 | 108.8 | K179 Q185 Y186 | K179-P181 WeakPolarHBondContact O-CD 3.34Å; P181-Q185 VanDerWaalsContact CA-OE1 3.27Å; P181-Q185 HydrophobicContact CB-CB 3.63Å; P181-Y186 HydrophobicContact CG-CD1 4.47Å; P181-Y186 HydrophobicContact CG-CE1 3.89Å |
| 182 | G | 78.4 | Confident | 76.1 | Confident | 31 Ų | 31 | 98.2 Ų | 98.2 | 32% | 0.32 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 166.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T180 G184 Q185 | T180-G182 PolarHBondContact O-N 3.38Å; G182-G184 PolarHBondContact O-N 3.36Å; G182-Q185 PolarHBondContact O-N 3.08Å |
| 183 | P | 75.1 | Confident | 77.2 | Confident | 131 Ų | 131 | 101.5 Ų | 101.5 | 85% | 0.851 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -24.6 | -175.6 | 21.1 | -32.8 | 0 | 0 | 0 | 114.2 | ||
| 184 | G | 75.7 | Confident | 78.4 | Confident | 80 Ų | 80 | 104.7 Ų | 104.7 | 83% | 0.825 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -2.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G182 | G182-G184 PolarHBondContact O-N 3.36Š|
| 185 | Q | 78.6 | Confident | 79.4 | Confident | 140 Ų | 140 | 107.8 Ų | 107.8 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -12.3 | 178.7 | -83.2 | -171.5 | -2.4 | 0 | 0 | 113.7 | P181 G182 R187 | P181-Q185 VanDerWaalsContact CA-OE1 3.27Å; P181-Q185 HydrophobicContact CB-CB 3.63Å; G182-Q185 PolarHBondContact O-N 3.08Å; Q185-R187 PolarHBondContact O-N 3.3Å; Q185-R187 VanDerWaalsContact O-N 3.09Å |
| 186 | Y | 79.9 | Confident | 80.2 | Confident | 157 Ų | 157 | 110.2 Ų | 110.2 | 62% | 0.616 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -65 | 111.5 | 170.9 | -63.2 | -79.8 | 0 | 0 | 0 | 108.8 | P181 S188 | P181-Y186 HydrophobicContact CG-CD1 4.47Å; P181-Y186 HydrophobicContact CG-CE1 3.89Å; Y186-S188 PolarHBondContact O-N 3.37Å |
| 187 | R | 78.4 | Confident | 80.8 | Confident | 239 Ų | 239 | 115.4 Ų | 115.4 | 90% | 0.902 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 133.2 | 170 | -70.1 | -173.1 | 176.9 | 107.7 | 0.5 | 108.2 | Q185 T189 | Q185-R187 PolarHBondContact O-N 3.3Å; Q185-R187 VanDerWaalsContact O-N 3.09Å; R187-T189 PolarHBondContact O-N 2.69Å |
| 188 | S | 79.8 | Confident | 81.7 | Confident | 117 Ų | 117 | 116.5 Ų | 116.5 | 82% | 0.818 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 139.1 | 168.2 | -53.2 | 0 | 0 | 0 | 0 | 109.4 | Y186 | Y186-S188 PolarHBondContact O-N 3.37Š|
| 189 | T | 84.4 | Confident | 82.5 | Confident | 101 Ų | 101 | 116.5 Ų | 116.5 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 140 | 173.3 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | R187 | R187-T189 PolarHBondContact O-N 2.69Š|
| 190 | D | 86.3 | Confident | 83 | Confident | 93 Ų | 93 | 115 Ų | 115 | 50% | 0.497 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 125.9 | 177.8 | -172 | -25.3 | 0 | 0 | 0 | 109.2 | D192 V193 | D190-D192 PolarHBondContact O-N 3.02Å; D190-D192 VanDerWaalsContact O-N 3.13Å; D190-D192 WeakPolarHBondContact OD1-CB 3.27Å; D190-D192 PolarHBondContact OD1-N 2.8Å; D190-V193 HydrophobicContact CB-CG2 4.17Å; D190-V193 VanDerWaalsContact O-CB 3.29Å; D190-V193 WeakPolarHBondContact O-CB 3.35Å; D190-V193 WeakPolarHBondContact O-CG2 3.48Å; D190-V193 PolarHBondContact O-N 2.85Å |
| 191 | P | 87.7 | Confident | 83.3 | Confident | 59 Ų | 59 | 121.1 Ų | 121.1 | 38% | 0.383 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -57.2 | -24.8 | 178.6 | 23.5 | -34.9 | 0 | 0 | 0 | 113.7 | V193 Y194 R195 | P191-V193 PolarHBondContact O-N 3.35Å; P191-V193 VanDerWaalsContact O-N 3.15Å; P191-Y194 VanDerWaalsContact CA-CE1 3.47Å; P191-Y194 HydrophobicContact CB-CE1 4.31Å; P191-Y194 PolarHBondContact O-N 2.97Å; P191-R195 VanDerWaalsContact O-CB 3.27Å; P191-R195 WeakPolarHBondContact O-CB 3.39Å; P191-R195 PolarHBondContact O-N 3.36Å |
| 192 | D | 86.7 | Confident | 83.4 | Confident | 67 Ų | 67 | 122.8 Ų | 122.8 | 36% | 0.358 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -65 | -12.9 | 175.6 | -75.6 | -8.6 | 0 | 0 | 0 | 113.1 | D190 R197 | D190-D192 PolarHBondContact O-N 3.02Å; D190-D192 VanDerWaalsContact O-N 3.13Å; D190-D192 WeakPolarHBondContact OD1-CB 3.27Å; D190-D192 PolarHBondContact OD1-N 2.8Å; D192-R197 HydrophobicContact CB-CB 4.3Å; D192-R197 HydrophobicContact CB-CG 4.17Å; D192-R197 WeakPolarHBondContact OD2-CD 3.49Å; D192-R197 WeakPolarHBondContact OD2-CG 3.21Å; D192-R197 IonicContact OD2-CZ 3.78Å; D192-R197 IonicContact OD2-NE 3.76Å; D192-R197 PolarHBondContact OD2-NE 3.39Å |
| 193 | V | 86.9 | Confident | 83.6 | Confident | 118 Ų | 118 | 131.3 Ų | 131.3 | 72% | 0.715 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -77.6 | -36 | 177.5 | 176.6 | 0 | 0 | 0 | 0 | 112.1 | D190 P191 | D190-V193 HydrophobicContact CB-CG2 4.17Å; D190-V193 VanDerWaalsContact O-CB 3.29Å; D190-V193 WeakPolarHBondContact O-CB 3.35Å; D190-V193 WeakPolarHBondContact O-CG2 3.48Å; D190-V193 PolarHBondContact O-N 2.85Å; P191-V193 PolarHBondContact O-N 3.35Å; P191-V193 VanDerWaalsContact O-N 3.15Å |
| 194 | Y | 87.7 | Confident | 83.9 | Confident | 145 Ų | 145 | 132.8 Ų | 132.8 | 57% | 0.569 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | -7 | -174.5 | 63 | -90.4 | 0 | 0 | 0 | 113.7 | P191 | P191-Y194 VanDerWaalsContact CA-CE1 3.47Å; P191-Y194 HydrophobicContact CB-CE1 4.31Å; P191-Y194 PolarHBondContact O-N 2.97Å |
| 195 | R | 88.9 | Confident | 84 | Confident | 166 Ų | 166 | 139.6 Ų | 139.6 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -111.5 | 155.6 | 172.4 | -59 | -175.1 | 171.7 | 178.6 | -0.2 | 109.8 | P191 R197 | P191-R195 VanDerWaalsContact O-CB 3.27Å; P191-R195 WeakPolarHBondContact O-CB 3.39Å; P191-R195 PolarHBondContact O-N 3.36Å; R195-R197 PolarHBondContact O-N 3.17Å; R195-R197 VanDerWaalsContact O-N 3.09Å |
| 196 | Q | 89.5 | Confident | 83.7 | Confident | 189 Ų | 189 | 140.1 Ų | 140.1 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -62.7 | 114.5 | 170.6 | -70.1 | -64.8 | -16 | 0 | 0 | 109.3 | ||||
| 197 | R | 87.1 | Confident | 83.2 | Confident | 154 Ų | 154 | 137.6 Ų | 137.6 | 58% | 0.581 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 132.4 | -179.6 | -176.2 | 170.9 | -168.7 | -147.4 | -3.3 | 110.4 | D192 R195 | D192-R197 HydrophobicContact CB-CB 4.3Å; D192-R197 HydrophobicContact CB-CG 4.17Å; D192-R197 WeakPolarHBondContact OD2-CD 3.49Å; D192-R197 WeakPolarHBondContact OD2-CG 3.21Å; D192-R197 IonicContact OD2-CZ 3.78Å; D192-R197 IonicContact OD2-NE 3.76Å; D192-R197 PolarHBondContact OD2-NE 3.39Å; R195-R197 PolarHBondContact O-N 3.17Å; R195-R197 VanDerWaalsContact O-N 3.09Å |
| 198 | Q | 86.3 | Confident | 82.6 | Confident | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 148 | 176.4 | -66.4 | -174.9 | 24.4 | 0 | 0 | 111.1 | S200 | Q198-S200 PolarHBondContact O-N 2.88Š|
| 199 | P | 86.2 | Confident | 81.8 | Confident | 101 Ų | 101 | 141 Ų | 141 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 124.3 | 177.7 | 25.1 | -33.5 | 0 | 0 | 0 | 110.5 | F201 | P199-F201 HydrophobicContact CB-CE2 3.91Å; P199-F201 HydrophobicContact CB-CZ 3.87Å; P199-F201 HydrophobicContact CG-CE2 4.16Å; P199-F201 HydrophobicContact CG-CZ 4.35Å |
| 200 | S | 82.4 | Confident | 80.6 | Confident | 55 Ų | 55 | 142.6 Ų | 142.6 | 39% | 0.385 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -102.4 | 117.2 | 177 | 49.9 | 0 | 0 | 0 | 0 | 110.2 | Q198 R206 | Q198-S200 PolarHBondContact O-N 2.88Å; S200-R206 PolarHBondContact O-NH2 2.67Å; S200-R206 PolarHBondContact OG-NH2 3.06Å |
| 201 | F | 84.2 | Confident | 79.2 | Confident | 187 Ų | 187 | 142.5 Ų | 142.5 | 82% | 0.82 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 137 | 178.1 | -57.5 | -78.9 | 0 | 0 | 0 | 110.3 | P199 | P199-F201 HydrophobicContact CB-CE2 3.91Å; P199-F201 HydrophobicContact CB-CZ 3.87Å; P199-F201 HydrophobicContact CG-CE2 4.16Å; P199-F201 HydrophobicContact CG-CZ 4.35Å |
| 202 | T | 80.4 | Confident | 77.8 | Confident | 83 Ų | 83 | 149.1 Ų | 149.1 | 51% | 0.509 | 69% | 0.693 | S | S | . | * | trans | -125.2 | 127.2 | 177.2 | 53.3 | 0 | 0 | 0 | 0 | 108.6 | Q204 R206 | T202-Q204 PolarHBondContact O-N 2.83Å; T202-Q204 PolarHBondContact OG1-O 3.3Å; T202-R206 WeakPolarHBondContact OG1-CG 3.23Å; T202-R206 PolarHBondContact OG1-NE 3.22Å | ||
| 203 | M | 83.3 | Confident | 76.3 | Confident | 211 Ų | 211 | 150.6 Ų | 150.6 | 100% | 1.039 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -69.3 | -18.1 | 177.5 | -65.4 | -166.7 | -65.9 | 0 | 0 | 113 | ||
| 204 | Q | 80.9 | Confident | 75 | Confident | 162 Ų | 162 | 149.7 Ų | 149.7 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -100.1 | 148.1 | 177.3 | -165.6 | 171.7 | 1.3 | 0 | 0 | 110.7 | T202 R206 | T202-Q204 PolarHBondContact O-N 2.83Å; T202-Q204 PolarHBondContact OG1-O 3.3Å; Q204-R206 PolarHBondContact O-N 2.78Å |
| 205 | R | 78.1 | Confident | 73.8 | Confident | 222 Ų | 222 | 146.9 Ų | 146.9 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -55.3 | 124.3 | 173.2 | -175 | 178 | -178.2 | -173.5 | 1.5 | 109.3 | T207 | R205-T207 VanDerWaalsContact C-N 3.32Å; R205-T207 PolarHBondContact O-N 2.91Å | ||
| 206 | R | 72.7 | Confident | 72.6 | Confident | 151 Ų | 151 | 142.2 Ų | 142.2 | 57% | 0.57 | 71% | 0.711 | S | S | * | * | trans | -66.8 | 93 | 168.9 | -65.8 | -176.9 | 178.5 | -157.7 | -3.8 | 108.2 | S200 T202 Q204 K208 | S200-R206 PolarHBondContact O-NH2 2.67Å; S200-R206 PolarHBondContact OG-NH2 3.06Å; T202-R206 WeakPolarHBondContact OG1-CG 3.23Å; T202-R206 PolarHBondContact OG1-NE 3.22Å; Q204-R206 PolarHBondContact O-N 2.78Å; R206-K208 PolarHBondContact O-N 2.73Å | ||
| 207 | T | 69.3 | Low | 71.8 | Confident | 105 Ų | 105 | 135.7 Ų | 135.7 | 64% | 0.644 | 69% | 0.685 | S | S | * | * | trans | -71.4 | 115.5 | 163.6 | 49.2 | 0 | 0 | 0 | 0 | 105.9 | R205 R209 | R205-T207 VanDerWaalsContact C-N 3.32Å; R205-T207 PolarHBondContact O-N 2.91Å; T207-R209 VanDerWaalsContact C-N 3.25Å; T207-R209 PolarHBondContact O-N 3.05Å | ||
| 208 | K | 66 | Low | 71.3 | Confident | 199 Ų | 199 | 129.8 Ų | 129.8 | 87% | 0.865 | 67% | 0.673 | S | S | * | * | trans | -57.7 | 104.9 | 158.6 | -72.3 | -175.3 | -179.8 | -178.7 | 0 | 104 | R206 I210 | R206-K208 PolarHBondContact O-N 2.73Å; K208-I210 PolarHBondContact O-N 3.22Å | ||
| 209 | R | 62 | Low | 70.5 | Confident | 228 Ų | 228 | 128.7 Ų | 128.7 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | trans | -55 | 116.2 | 162.9 | -74.7 | -167.7 | -178.4 | -167.7 | 1.4 | 103.5 | T207 S211 | T207-R209 VanDerWaalsContact C-N 3.25Å; T207-R209 PolarHBondContact O-N 3.05Å; R209-S211 PolarHBondContact O-N 3.29Å | ||
| 210 | I | 59.3 | Low | 69.8 | Low | 135 Ų | 135 | 127.5 Ų | 127.5 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | trans | -57 | 104.5 | 169.6 | -64.7 | 165.5 | 0 | 0 | 0 | 103 | K208 Y212 | K208-I210 PolarHBondContact O-N 3.22Å; I210-Y212 WeakPolarHBondContact O-CD2 3.08Å; I210-Y212 PolarHBondContact O-N 2.85Å | ||
| 211 | S | 58 | Low | 69.6 | Low | 91 Ų | 91 | 129.5 Ų | 129.5 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -61.7 | 111.5 | 169.9 | -177.8 | 0 | 0 | 0 | 0 | 103.4 | R209 S213 | R209-S211 PolarHBondContact O-N 3.29Å; S211-S213 PolarHBondContact O-N 2.96Å; S211-S213 WeakPolarHBondContact OG-CB 3.24Å | ||
| 212 | Y | 57 | Low | 69.2 | Low | 197 Ų | 197 | 127.7 Ų | 127.7 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 32.9 | 168.2 | -72.5 | -88.9 | 0 | 0 | 0 | 110.9 | I210 | I210-Y212 WeakPolarHBondContact O-CD2 3.08Å; I210-Y212 PolarHBondContact O-N 2.85Å |
| 213 | S | 55.4 | Low | 68.9 | Low | 98 Ų | 98 | 126.6 Ų | 126.6 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -16.1 | 167.5 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | S211 A215 | S211-S213 PolarHBondContact O-N 2.96Å; S211-S213 WeakPolarHBondContact OG-CB 3.24Å; S213-A215 VanDerWaalsContact C-N 3.35Å; S213-A215 PolarHBondContact O-N 3.04Å; S213-A215 VanDerWaalsContact O-N 3.13Å |
| 214 | S | 59.7 | Low | 68.2 | Low | 99 Ų | 99 | 120.7 Ų | 120.7 | 69% | 0.692 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -72.2 | 103.1 | 156.2 | -173.3 | 0 | 0 | 0 | 0 | 105.7 | A216 | S214-A216 PolarHBondContact O-N 3.3Š|
| 215 | A | 62.2 | Low | 67.6 | Low | 86 Ų | 86 | 121.4 Ų | 121.4 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | trans | -55.1 | 92.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | S213 P217 | S213-A215 VanDerWaalsContact C-N 3.35Å; S213-A215 PolarHBondContact O-N 3.04Å; S213-A215 VanDerWaalsContact O-N 3.13Å; A215-P217 WeakPolarHBondContact O-CD 3.24Å | ||
| 216 | A | 64.7 | Low | 67.1 | Low | 69 Ų | 69 | 119 Ų | 119 | 57% | 0.57 | 66% | 0.657 | S | S | * | * | trans | -59.2 | 113.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 105 | S214 G218 | S214-A216 PolarHBondContact O-N 3.3Å; A216-G218 PolarHBondContact O-N 3.26Å | ||
| 217 | P | 73.3 | Confident | 66.7 | Low | 51 Ų | 51 | 115.2 Ų | 115.2 | 33% | 0.331 | 65% | 0.65 | S | S | . | * | trans | -54.3 | 138 | -178.7 | -8.5 | 12.2 | 0 | 0 | 0 | 108.6 | A215 T221 Y222 | A215-P217 WeakPolarHBondContact O-CD 3.24Å; P217-T221 HydrophobicContact CB-CG2 3.74Å; P217-Y222 HydrophobicContact CB-CD2 4.1Å; P217-Y222 HydrophobicContact CB-CE1 4.33Å; P217-Y222 HydrophobicContact CB-CE2 3.84Å; P217-Y222 HydrophobicContact CB-CG 4.46Å; P217-Y222 WeakPolarHBondContact CD-OH 3.49Å; P217-Y222 HydrophobicContact CG-CD1 4.16Å; P217-Y222 HydrophobicContact CG-CD2 4.46Å; P217-Y222 HydrophobicContact CG-CE1 3.66Å; P217-Y222 HydrophobicContact CG-CE2 3.99Å; P217-Y222 WeakPolarHBondContact O-CE2 3.3Å | ||
| 218 | G | 76.9 | Confident | 66.3 | Low | 31 Ų | 31 | 116.7 Ų | 116.7 | 32% | 0.32 | 65% | 0.645 | S | S | . | * | trans | -59.6 | 159.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | A216 G220 T221 | A216-G218 PolarHBondContact O-N 3.26Å; G218-G220 PolarHBondContact O-N 3.11Å; G218-T221 PolarHBondContact N-OG1 3.47Å; G218-T221 PolarHBondContact O-N 3.21Å; G218-T221 PolarHBondContact O-OG1 2.8Å | ||
| 219 | P | 68.4 | Low | 66.3 | Low | 142 Ų | 142 | 111.1 Ų | 111.1 | 92% | 0.922 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 114.2 | 168.8 | 24.8 | -32.2 | 0 | 0 | 0 | 108.5 | ||
| 220 | G | 70.9 | Confident | 66.7 | Low | 75 Ų | 75 | 107.8 Ų | 107.8 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.3 | -14.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | G218 | G218-G220 PolarHBondContact O-N 3.11Š|
| 221 | T | 78.3 | Confident | 67.3 | Low | 98 Ų | 98 | 105.9 Ų | 105.9 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -16.3 | 173.5 | -48.9 | 0 | 0 | 0 | 0 | 112.3 | P217 G218 S223 | P217-T221 HydrophobicContact CB-CG2 3.74Å; G218-T221 PolarHBondContact N-OG1 3.47Å; G218-T221 PolarHBondContact O-N 3.21Å; G218-T221 PolarHBondContact O-OG1 2.8Å; T221-S223 PolarHBondContact O-N 3.01Å |
| 222 | Y | 75.7 | Confident | 67.8 | Low | 148 Ų | 148 | 110.9 Ų | 110.9 | 58% | 0.58 | 64% | 0.641 | S | S | * | * | trans | -71.7 | 113.8 | 172 | -65.4 | -87.9 | 0 | 0 | 0 | 109.9 | P217 P224 | P217-Y222 HydrophobicContact CB-CD2 4.1Å; P217-Y222 HydrophobicContact CB-CE1 4.33Å; P217-Y222 HydrophobicContact CB-CE2 3.84Å; P217-Y222 HydrophobicContact CB-CG 4.46Å; P217-Y222 WeakPolarHBondContact CD-OH 3.49Å; P217-Y222 HydrophobicContact CG-CD1 4.16Å; P217-Y222 HydrophobicContact CG-CD2 4.46Å; P217-Y222 HydrophobicContact CG-CE1 3.66Å; P217-Y222 HydrophobicContact CG-CE2 3.99Å; P217-Y222 WeakPolarHBondContact O-CE2 3.3Å; Y222-P224 WeakPolarHBondContact O-CD 3.33Å | ||
| 223 | S | 73.9 | Confident | 68.4 | Low | 60 Ų | 60 | 109.3 Ų | 109.3 | 42% | 0.42 | 64% | 0.639 | S | S | . | * | trans | -104.8 | 84.3 | 170.4 | -63.6 | 0 | 0 | 0 | 0 | 109.7 | T221 E225 K226 | T221-S223 PolarHBondContact O-N 3.01Å; S223-E225 PolarHBondContact O-N 2.95Å; S223-E225 VanDerWaalsContact O-N 3.14Å; S223-K226 PolarHBondContact O-N 3.4Å; S223-K226 VanDerWaalsContact O-N 3.09Å | ||
| 224 | P | 68.9 | Low | 69.2 | Low | 88 Ų | 88 | 109.3 Ų | 109.3 | 57% | 0.571 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -59.7 | -26.4 | -178.2 | 25.4 | -34.4 | 0 | 0 | 0 | 112.4 | Y222 K226 T227 | Y222-P224 WeakPolarHBondContact O-CD 3.33Å; P224-K226 PolarHBondContact O-N 2.66Å; P224-T227 WeakPolarHBondContact O-CB 3.21Å; P224-T227 WeakPolarHBondContact O-CG2 3.42Å; P224-T227 PolarHBondContact O-N 3.16Å; P224-T227 PolarHBondContact O-OG1 2.77Å |
| 225 | E | 69.8 | Low | 70 | Confident | 177 Ų | 177 | 109.5 Ų | 109.5 | 83% | 0.827 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -64.4 | -23.9 | 178.3 | -60.1 | 179.3 | 179.1 | 0 | 0 | 113.7 | S223 | S223-E225 PolarHBondContact O-N 2.95Å; S223-E225 VanDerWaalsContact O-N 3.14Å |
| 226 | K | 66.2 | Low | 70.7 | Confident | 172 Ų | 172 | 110.3 Ų | 110.3 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -92.5 | 0.5 | -179.1 | -62.7 | -178.5 | -178.3 | 176.6 | 0 | 113.4 | S223 P224 Y228 | S223-K226 PolarHBondContact O-N 3.4Å; S223-K226 VanDerWaalsContact O-N 3.09Å; P224-K226 PolarHBondContact O-N 2.66Å; K226-Y228 VanDerWaalsContact C-N 3.32Å; K226-Y228 PolarHBondContact O-N 2.78Å |
| 227 | T | 64.2 | Low | 71.3 | Confident | 70 Ų | 70 | 115.6 Ų | 115.6 | 43% | 0.429 | 65% | 0.648 | S | S | . | * | G | 310 helix | trans | -74.4 | -21.5 | -173 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | P224 G229 H230 | P224-T227 WeakPolarHBondContact O-CB 3.21Å; P224-T227 WeakPolarHBondContact O-CG2 3.42Å; P224-T227 PolarHBondContact O-N 3.16Å; P224-T227 PolarHBondContact O-OG1 2.77Å; T227-G229 VanDerWaalsContact C-N 3.31Å; T227-G229 PolarHBondContact O-N 2.97Å; T227-H230 PolarHBondContact O-CE1 3.01Å; T227-H230 PolarHBondContact O-ND1 3.44Å |
| 228 | Y | 62.3 | Low | 71.4 | Confident | 136 Ų | 136 | 118.6 Ų | 118.6 | 53% | 0.533 | 67% | 0.67 | S | S | . | * | G | 310 helix | trans | -84 | 10.7 | -172.1 | -58.7 | -77 | 0 | 0 | 0 | 115.4 | K226 H230 L231 | K226-Y228 VanDerWaalsContact C-N 3.32Å; K226-Y228 PolarHBondContact O-N 2.78Å; Y228-H230 PolarHBondContact O-N 3.33Å; Y228-L231 HydrophobicContact CD1-CB 4.24Å; Y228-L231 HydrophobicContact CD1-CD1 4.28Å; Y228-L231 PolarHBondContact O-N 3.25Å; Y228-L231 VanDerWaalsContact O-N 3.14Å; Y228-L231 VanDerWaalsContact O-O 3.05Å |
| 229 | G | 65.1 | Low | 71.1 | Confident | 82 Ų | 82 | 126.6 Ų | 126.6 | 85% | 0.845 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -59 | -20.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | T227 | T227-G229 VanDerWaalsContact C-N 3.31Å; T227-G229 PolarHBondContact O-N 2.97Å |
| 230 | H | 69.6 | Low | 71.5 | Confident | 159 Ų | 159 | 122.2 Ų | 122.2 | 74% | 0.736 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -115.6 | 2 | -179.4 | 65.9 | -70.9 | 0 | 0 | 0 | 113.5 | T227 Y228 | T227-H230 PolarHBondContact O-CE1 3.01Å; T227-H230 PolarHBondContact O-ND1 3.44Å; Y228-H230 PolarHBondContact O-N 3.33Å |
| 231 | L | 72.4 | Confident | 71.5 | Confident | 95 Ų | 95 | 125.7 Ų | 125.7 | 50% | 0.497 | 68% | 0.682 | S | S | . | * | S | Bend | trans | -118.1 | 151.2 | -176.2 | -74.9 | 150 | 0 | 0 | 0 | 109.8 | Y228 K233 | Y228-L231 HydrophobicContact CD1-CB 4.24Å; Y228-L231 HydrophobicContact CD1-CD1 4.28Å; Y228-L231 PolarHBondContact O-N 3.25Å; Y228-L231 VanDerWaalsContact O-N 3.14Å; Y228-L231 VanDerWaalsContact O-O 3.05Å; L231-K233 PolarHBondContact O-N 3.03Å; L231-K233 VanDerWaalsContact O-N 3.12Å |
| 232 | H | 69.4 | Low | 70.8 | Confident | 195 Ų | 195 | 132.5 Ų | 132.5 | 90% | 0.903 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 116.4 | 174.9 | -72 | -87 | 0 | 0 | 0 | 110.2 | ||
| 233 | K | 68.9 | Low | 70.4 | Confident | 164 Ų | 164 | 132.6 Ų | 132.6 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -78 | 131.9 | 177.5 | -170.8 | 176.9 | 177.8 | 179.5 | 0 | 109.7 | L231 | L231-K233 PolarHBondContact O-N 3.03Å; L231-K233 VanDerWaalsContact O-N 3.12Å |
| 234 | S | 73.3 | Confident | 70.5 | Confident | 98 Ų | 98 | 133.4 Ų | 133.4 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 142.2 | 171.1 | -38.7 | 0 | 0 | 0 | 0 | 110 | S236 | S234-S236 PolarHBondContact O-N 3.49Š|
| 235 | P | 76.8 | Confident | 70.5 | Confident | 104 Ų | 104 | 138.3 Ų | 138.3 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 128 | 178.7 | 21.2 | -30.9 | 0 | 0 | 0 | 110.2 | F237 | P235-F237 HydrophobicContact CB-CE2 4.22Å; P235-F237 HydrophobicContact CB-CZ 4.14Å; P235-F237 HydrophobicContact CG-CE2 4.38Å; P235-F237 HydrophobicContact CG-CZ 4.45Å |
| 236 | S | 76.5 | Confident | 70.5 | Confident | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 128.1 | 178.7 | 179 | 0 | 0 | 0 | 0 | 108.5 | S234 | S234-S236 PolarHBondContact O-N 3.49Š|
| 237 | F | 76.7 | Confident | 70.5 | Confident | 180 Ų | 180 | 134.6 Ų | 134.6 | 79% | 0.789 | 71% | 0.712 | S | S | * | * | trans | -107 | 126.9 | 178.8 | -58.5 | -81.8 | 0 | 0 | 0 | 108.8 | P235 | P235-F237 HydrophobicContact CB-CE2 4.22Å; P235-F237 HydrophobicContact CB-CZ 4.14Å; P235-F237 HydrophobicContact CG-CE2 4.38Å; P235-F237 HydrophobicContact CG-CZ 4.45Å | ||
| 238 | S | 75.6 | Confident | 70.8 | Confident | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | -100.8 | 127.7 | 168.5 | 60.3 | 0 | 0 | 0 | 0 | 109.3 | G240 | S238-G240 VanDerWaalsContact C-N 3.28Å; S238-G240 PolarHBondContact O-N 2.72Å | ||
| 239 | M | 70.4 | Confident | 71.2 | Confident | 200 Ų | 200 | 135.9 Ų | 135.9 | 99% | 0.985 | 74% | 0.736 | S | S | * | * | trans | -91 | 71.7 | 166.8 | -68.5 | -172 | -67.5 | 0 | 0 | 107.9 | ||||
| 240 | G | 75.8 | Confident | 71.6 | Confident | 50 Ų | 50 | 139.5 Ų | 139.5 | 52% | 0.515 | 74% | 0.735 | S | S | . | * | trans | -109.9 | 150.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S238 R242 | S238-G240 VanDerWaalsContact C-N 3.28Å; S238-G240 PolarHBondContact O-N 2.72Å; G240-R242 PolarHBondContact O-N 3.23Å; G240-R242 VanDerWaalsContact O-N 3.14Å | ||
| 241 | I | 71.8 | Confident | 71.9 | Confident | 147 Ų | 147 | 137.6 Ų | 137.6 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -61.1 | 115.8 | 166.8 | -62.7 | 170.7 | 0 | 0 | 0 | 106.7 | H243 | I241-H243 PolarHBondContact O-N 2.82Å; I241-H243 VanDerWaalsContact O-N 3.13Å | ||
| 242 | R | 63.7 | Low | 71.9 | Confident | 242 Ų | 242 | 137.7 Ų | 137.7 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | trans | -73 | 104.9 | 173.2 | -64.8 | -173 | -129.2 | -178.9 | 3.3 | 107.4 | G240 | G240-R242 PolarHBondContact O-N 3.23Å; G240-R242 VanDerWaalsContact O-N 3.14Å | ||
| 243 | H | 67.8 | Low | 71.5 | Confident | 149 Ų | 149 | 136.6 Ų | 136.6 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | -63.5 | 148.1 | 168.4 | -64.1 | -69.9 | 0 | 0 | 0 | 109.3 | I241 V247 | I241-H243 PolarHBondContact O-N 2.82Å; I241-H243 VanDerWaalsContact O-N 3.13Å; H243-V247 HydrophobicContact CB-CG2 4.15Å | ||
| 244 | S | 74.7 | Confident | 71.3 | Confident | 77 Ų | 77 | 134.5 Ų | 134.5 | 54% | 0.538 | 73% | 0.734 | S | S | . | * | trans | -60.6 | 151.9 | 179.9 | 61 | 0 | 0 | 0 | 0 | 111.1 | F246 V247 | S244-F246 PolarHBondContact O-N 2.83Å; S244-V247 WeakPolarHBondContact O-CG2 3.32Å; S244-V247 PolarHBondContact O-N 3.5Å | ||
| 245 | E | 69.5 | Low | 70.5 | Confident | 191 Ų | 191 | 136.1 Ų | 136.1 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -12.6 | -178.7 | -48.8 | -179 | -163.8 | 0 | 0 | 113 | ||
| 246 | F | 70.1 | Confident | 69.5 | Low | 184 Ų | 184 | 141.8 Ų | 141.8 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 10 | -177.2 | -57.6 | -71.7 | 0 | 0 | 0 | 113.9 | S244 T248 | S244-F246 PolarHBondContact O-N 2.83Å; F246-T248 PolarHBondContact O-N 2.93Å |
| 247 | V | 65.4 | Low | 69.1 | Low | 88 Ų | 88 | 143.8 Ų | 143.8 | 53% | 0.533 | 77% | 0.767 | S | S | . | * | trans | -78.5 | 112.4 | 175.9 | 179 | 0 | 0 | 0 | 0 | 109.6 | H243 S244 | H243-V247 HydrophobicContact CB-CG2 4.15Å; S244-V247 WeakPolarHBondContact O-CG2 3.32Å; S244-V247 PolarHBondContact O-N 3.5Å | ||
| 248 | T | 70.7 | Confident | 68.7 | Low | 122 Ų | 122 | 141.9 Ų | 141.9 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -64.5 | 124.5 | 173.6 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | F246 L250 | F246-T248 PolarHBondContact O-N 2.93Å; T248-L250 PolarHBondContact O-N 3.12Å | ||
| 249 | P | 72.1 | Confident | 68.3 | Low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | trans | -66.4 | 131.3 | 176.5 | 26.9 | -32.7 | 0 | 0 | 0 | 110 | V251 | P249-V251 PolarHBondContact O-N 2.76Å; P249-V251 VanDerWaalsContact O-N 3.09Å | ||
| 250 | L | 73.5 | Confident | 68.2 | Low | 158 Ų | 158 | 140.1 Ų | 140.1 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | -72.4 | 99.5 | 172.5 | -172.2 | 98.2 | 0 | 0 | 0 | 108.5 | T248 V252 | T248-L250 PolarHBondContact O-N 3.12Å; L250-V252 HydrophobicContact CD2-CG2 3.32Å; L250-V252 HydrophobicContact CG-CG2 3.85Å; L250-V252 PolarHBondContact O-N 3.11Å | ||
| 251 | V | 74.8 | Confident | 67.7 | Low | 119 Ų | 119 | 145.8 Ų | 145.8 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -80.7 | 104.5 | 173.4 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | P249 | P249-V251 PolarHBondContact O-N 2.76Å; P249-V251 VanDerWaalsContact O-N 3.09Å | ||
| 252 | V | 71.9 | Confident | 67.5 | Low | 98 Ų | 98 | 145.7 Ų | 145.7 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | trans | -101.4 | 118.4 | 171.3 | -168.9 | 0 | 0 | 0 | 0 | 107.8 | L250 V254 | L250-V252 HydrophobicContact CD2-CG2 3.32Å; L250-V252 HydrophobicContact CG-CG2 3.85Å; L250-V252 PolarHBondContact O-N 3.11Å; V252-V254 PolarHBondContact O-N 3.06Å; V252-V254 VanDerWaalsContact O-N 3.09Å | ||
| 253 | H | 62.5 | Low | 67.7 | Low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | trans | -68.6 | 103.5 | 166.2 | -86.1 | -82.8 | 0 | 0 | 0 | 108.3 | V255 | H253-V255 PolarHBondContact O-N 3.46Š| ||
| 254 | V | 64.7 | Low | 67.7 | Low | 120 Ų | 120 | 138 Ų | 138 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -78.2 | 110.4 | 165.7 | -176.6 | 0 | 0 | 0 | 0 | 106.1 | V252 | V252-V254 PolarHBondContact O-N 3.06Å; V252-V254 VanDerWaalsContact O-N 3.09Å | ||
| 255 | V | 56.4 | Low | 67.2 | Low | 132 Ų | 132 | 143.1 Ų | 143.1 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -78.1 | 117.5 | 169 | -178.4 | 0 | 0 | 0 | 0 | 106 | H253 | H253-V255 PolarHBondContact O-N 3.46Š| ||
| 256 | D | 54.3 | Low | 66.9 | Low | 223 Ų | 223 | 138.7 Ų | 138.7 | 100% | 1.193 | 77% | 0.769 | S | S | * | * | trans | -58.5 | 0 | 172.8 | -72.1 | -33.1 | 0 | 0 | 0 | 112.1 |
Retrieved 256 of 256 residues in 87.3 ms
(Link to these results)