| 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 | 56.1 | Low | 60.5 | Low | 243 Ų | 243 | 150.4 Ų | 150.4 | 100% | 1.197 | 80% | 0.803 | S | S | * | * | 0 | 114 | 0 | -68.4 | 170.5 | 176.8 | 0 | 0 | 107.2 | |||||
| 2 | A | 40.3 | Very low | 62.6 | Low | 97 Ų | 97 | 148.3 Ų | 148.3 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -74.1 | 143.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 3 | Q | 52 | Low | 65 | Low | 192 Ų | 192 | 145.8 Ų | 145.8 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -90.4 | 110.9 | 175.2 | -67.2 | 177.9 | -4.8 | 0 | 0 | 108.5 | T5 | Q3-T5 PolarHBondContact O-N 2.88Å; Q3-T5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | E | 54.7 | Low | 67.2 | Low | 182 Ų | 182 | 135.7 Ų | 135.7 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | trans | -68.5 | 107.1 | -177.1 | -75.8 | 172.9 | 97.7 | 0 | 0 | 112.1 | ||||
| 5 | T | 57.8 | Low | 69 | Low | 120 Ų | 120 | 132.5 Ų | 132.5 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | 33.6 | 104.8 | 142.7 | 55.4 | 0 | 0 | 0 | 0 | 117.7 | Q3 R7 | Q3-T5 PolarHBondContact O-N 2.88Å; Q3-T5 VanDerWaalsContact O-N 3.09Å; T5-R7 PolarHBondContact O-N 3.36Å | ||
| 6 | N | 63 | Low | 70.4 | Confident | 163 Ų | 163 | 129.3 Ų | 129.3 | 87% | 0.872 | 70% | 0.7 | S | S | * | * | trans | -64.7 | 81.3 | 160.9 | -170.9 | -88.3 | 0 | 0 | 0 | 110.1 | S8 | N6-S8 PolarHBondContact O-N 3.14Š| ||
| 7 | R | 64.7 | Low | 71.6 | Confident | 209 Ų | 209 | 125.6 Ų | 125.6 | 79% | 0.789 | 70% | 0.7 | S | S | * | * | trans | -74.7 | 112.4 | 171 | -164.5 | 164.5 | 92.1 | 174.8 | 5.7 | 107.9 | T5 Q9 | T5-R7 PolarHBondContact O-N 3.36Å; R7-Q9 PolarHBondContact O-N 3.15Å | ||
| 8 | S | 59.2 | Low | 72.9 | Confident | 112 Ų | 112 | 121.6 Ų | 121.6 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | trans | -59.2 | 94.4 | -178.8 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | N6 | N6-S8 PolarHBondContact O-N 3.14Š| ||
| 9 | Q | 67.8 | Low | 73.9 | Confident | 123 Ų | 123 | 118.1 Ų | 118.1 | 58% | 0.575 | 68% | 0.675 | S | S | * | * | trans | -86.5 | 142.9 | 171.8 | -67.8 | -179.2 | 48.5 | 0 | 0 | 109.1 | R7 | R7-Q9 PolarHBondContact O-N 3.15Š| ||
| 10 | V | 71.4 | Confident | 74.9 | Confident | 117 Ų | 117 | 119.4 Ų | 119.4 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | trans | -53.6 | 132.8 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | M12 | V10-M12 PolarHBondContact O-N 2.93Š| ||
| 11 | P | 78.7 | Confident | 75.8 | Confident | 96 Ų | 96 | 121.7 Ų | 121.7 | 62% | 0.623 | 67% | 0.672 | S | S | * | * | trans | -62.5 | 99.1 | -178.4 | -24.4 | 34.9 | 0 | 0 | 0 | 112.3 | Y21 | P11-Y21 HydrophobicContact CB-CD1 3.66Å; P11-Y21 HydrophobicContact CB-CE1 3.54Å | ||
| 12 | M | 85.1 | Confident | 77.6 | Confident | 126 Ų | 126 | 110.7 Ų | 110.7 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 139 | 175.2 | -63.8 | -62.3 | -74.4 | 0 | 0 | 110.3 | V10 Y21 G22 | V10-M12 PolarHBondContact O-N 2.93Å; M12-Y21 CarbonylContact O-C 3.53Å; M12-Y21 WeakPolarHBondContact O-CA 3.17Å; M12-G22 PolarHBondContact O-N 3.31Å |
| 13 | L | 94.3 | Very high | 80 | Confident | 115 Ų | 115 | 110 Ų | 110 | 60% | 0.602 | 60% | 0.604 | S | S | * | * | B | Isolated β-bridge | trans | -74.4 | 156 | 170 | -77.7 | 133.5 | 0 | 0 | 0 | 111 | S15 | L13-S15 PolarHBondContact O-N 3.36Å |
| 14 | C | 95.3 | Very high | 81.7 | Confident | 5 Ų | 5 | 104.6 Ų | 104.6 | 3% | 0.034 | 59% | 0.586 | C | S | . | * | P | Polyproline II helix | trans | -60.5 | 128.5 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | T16 G17 C18 F20 G28 C30 | C14-T16 PolarHBondContact O-N 2.89Å; C14-G17 PolarHBondContact O-N 2.78Å; C14-C18 VanDerWaalsContact CB-SG 3.5Å; C14-F20 WeakPolarHBondContact CB-O 3.08Å; C14-F20 PolarHBondContact N-O 3.11Å; C14-G28 CarbonylContact C-O 3.55Å; C14-G28 VanDerWaalsContact CA-O 3.24Å; C14-G28 WeakPolarHBondContact CA-O 3.5Å; C14-C30 HydrophobicContact CB-CB 4.08Å; C14-C30 PolarHBondContact SG-N 3.3Å |
| 15 | S | 94.2 | Very high | 83.4 | Confident | 87 Ų | 87 | 106.8 Ų | 106.8 | 61% | 0.608 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -25.8 | 178.8 | -49 | 0 | 0 | 0 | 0 | 113.8 | L13 G17 N27 G28 | L13-S15 PolarHBondContact O-N 3.36Å; S15-G17 VanDerWaalsContact C-N 3.26Å; S15-G17 PolarHBondContact O-N 3.47Å; S15-N27 PolarHBondContact OG-O 3.19Å; S15-G28 PolarHBondContact N-O 3.45Å; S15-G28 VanDerWaalsContact OG-C 3.29Å; S15-G28 WeakPolarHBondContact OG-CA 3.16Å; S15-G28 PolarHBondContact OG-O 3.44Å |
| 16 | T | 91.9 | Very high | 84.9 | Confident | 81 Ų | 81 | 102.4 Ų | 102.4 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.3 | 1 | 176.1 | -34.8 | 0 | 0 | 0 | 0 | 113.7 | C14 C18 C33 | C14-T16 PolarHBondContact O-N 2.89Å; T16-C18 VanDerWaalsContact C-N 3.31Å; T16-C18 PolarHBondContact O-N 3.3Å; T16-C33 HydrophobicContact CG2-CB 4.35Å; T16-C33 WeakPolarHBondContact OG1-CB 3.42Å |
| 17 | G | 91.4 | Very high | 86.2 | Confident | 68 Ų | 68 | 100.3 Ų | 100.3 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | trans | 74.6 | 9.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116 | C14 S15 G19 | C14-G17 PolarHBondContact O-N 2.78Å; S15-G17 VanDerWaalsContact C-N 3.26Å; S15-G17 PolarHBondContact O-N 3.47Å; G17-G19 PolarHBondContact O-N 3.38Å; G17-G19 VanDerWaalsContact O-N 3.09Å | ||
| 18 | C | 93.4 | Very high | 87.5 | Confident | 52 Ų | 52 | 91 Ų | 91 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -76.8 | 10.2 | -171.8 | 69 | 0 | 0 | 0 | 0 | 116 | C14 T16 F20 C30 | C14-C18 VanDerWaalsContact CB-SG 3.5Å; T16-C18 VanDerWaalsContact C-N 3.31Å; T16-C18 PolarHBondContact O-N 3.3Å; C18-F20 WeakPolarHBondContact O-CD2 3.29Å; C18-F20 PolarHBondContact O-N 2.88Å; C18-F20 VanDerWaalsContact O-N 3.16Å; C18-C30 VanDerWaalsContact SG-SG 3.63Å |
| 19 | G | 92.5 | Very high | 89.2 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 58% | 0.577 | 48% | 0.484 | S | S | * | . | S | Bend | trans | 75.5 | -9.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | G17 | G17-G19 PolarHBondContact O-N 3.38Å; G17-G19 VanDerWaalsContact O-N 3.09Å |
| 20 | F | 93.7 | Very high | 90.4 | Very high | 144 Ų | 144 | 81.1 Ų | 81.1 | 63% | 0.632 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -87.8 | 157.8 | 173.8 | -74 | -89 | 0 | 0 | 0 | 112.3 | C14 C18 C30 | C14-F20 WeakPolarHBondContact CB-O 3.08Å; C14-F20 PolarHBondContact N-O 3.11Å; C18-F20 WeakPolarHBondContact O-CD2 3.29Å; C18-F20 PolarHBondContact O-N 2.88Å; C18-F20 VanDerWaalsContact O-N 3.16Å; F20-C30 HydrophobicContact CB-CB 4.02Å |
| 21 | Y | 94.5 | Very high | 91.4 | Very high | 167 Ų | 167 | 80.4 Ų | 80.4 | 66% | 0.655 | 46% | 0.46 | S | S | * | . | B | Isolated β-bridge | trans | -68.1 | 136.9 | 173.7 | -60.6 | -70 | 0 | 0 | 0 | 112.2 | P11 M12 C30 | P11-Y21 HydrophobicContact CB-CD1 3.66Å; P11-Y21 HydrophobicContact CB-CE1 3.54Å; M12-Y21 CarbonylContact O-C 3.53Å; M12-Y21 WeakPolarHBondContact O-CA 3.17Å; Y21-C30 WeakPolarHBondContact O-CB 3.43Å |
| 22 | G | 93.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 80.8 Ų | 80.8 | 13% | 0.134 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 148.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M12 G28 | M12-G22 PolarHBondContact O-N 3.31Å; G22-G28 VanDerWaalsContact CA-O 3.3Å; G22-G28 WeakPolarHBondContact CA-O 3.4Å |
| 23 | N | 90.5 | Very high | 92.7 | Very high | 83 Ų | 83 | 75.4 Ų | 75.4 | 44% | 0.444 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -97.9 | 127.7 | 172.4 | -176.4 | -16.6 | 0 | 0 | 0 | 109.6 | R25 T26 G28 M29 | N23-R25 PolarHBondContact O-N 2.92Å; N23-R25 VanDerWaalsContact O-N 3.15Å; N23-R25 WeakPolarHBondContact OD1-CB 3.33Å; N23-R25 PolarHBondContact OD1-N 2.7Å; N23-T26 WeakPolarHBondContact CB-OG1 3.48Å; N23-T26 CarbonylContact O-C 3.55Å; N23-T26 PolarHBondContact O-N 2.9Å; N23-T26 PolarHBondContact O-OG1 2.93Å; N23-T26 VanDerWaalsContact O-OG1 3.09Å; N23-G28 WeakPolarHBondContact O-CA 3.05Å; N23-G28 PolarHBondContact O-N 3.46Å; N23-M29 PolarHBondContact N-O 2.87Å; N23-M29 VanDerWaalsContact N-O 3.16Å |
| 24 | P | 88.8 | Confident | 92.7 | Very high | 78 Ų | 78 | 73.6 Ų | 73.6 | 51% | 0.506 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -56 | -29.4 | 176 | 23.1 | -36.1 | 0 | 0 | 0 | 112.9 | T26 N27 | P24-T26 PolarHBondContact O-N 3.03Å; P24-N27 PolarHBondContact O-N 2.83Å |
| 25 | R | 88.6 | Confident | 92.6 | Very high | 228 Ų | 228 | 80.8 Ų | 80.8 | 86% | 0.86 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -69.4 | -15.7 | 176.8 | -155.8 | 178.1 | -172.9 | -164.6 | 3.1 | 113.8 | N23 | N23-R25 PolarHBondContact O-N 2.92Å; N23-R25 VanDerWaalsContact O-N 3.15Å; N23-R25 WeakPolarHBondContact OD1-CB 3.33Å; N23-R25 PolarHBondContact OD1-N 2.7Å |
| 26 | T | 90.2 | Very high | 92.6 | Very high | 27 Ų | 27 | 80.9 Ų | 80.9 | 17% | 0.166 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -117.5 | 40.6 | 177.7 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | N23 P24 G28 M29 Y34 | N23-T26 WeakPolarHBondContact CB-OG1 3.48Å; N23-T26 CarbonylContact O-C 3.55Å; N23-T26 PolarHBondContact O-N 2.9Å; N23-T26 PolarHBondContact O-OG1 2.93Å; N23-T26 VanDerWaalsContact O-OG1 3.09Å; P24-T26 PolarHBondContact O-N 3.03Å; T26-G28 PolarHBondContact O-N 3.32Å; T26-M29 WeakPolarHBondContact O-CB 3.49Å; T26-M29 PolarHBondContact O-N 3.1Å; T26-M29 PolarHBondContact OG1-O 3.26Å; T26-Y34 HydrophobicContact CG2-CD1 3.77Å; T26-Y34 HydrophobicContact CG2-CD2 4.02Å; T26-Y34 HydrophobicContact CG2-CE1 3.81Å; T26-Y34 HydrophobicContact CG2-CE2 4.05Å; T26-Y34 HydrophobicContact CG2-CG 3.88Å |
| 27 | N | 89.8 | Confident | 92.6 | Very high | 120 Ų | 120 | 81.2 Ų | 81.2 | 64% | 0.642 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 32.5 | -179.6 | -57.7 | 79.4 | 0 | 0 | 0 | 113.6 | S15 P24 M29 | S15-N27 PolarHBondContact OG-O 3.19Å; P24-N27 PolarHBondContact O-N 2.83Å; N27-M29 HydrophobicContact CB-CE 3.82Å; N27-M29 PolarHBondContact O-N 3.13Å |
| 28 | G | 92.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 82 Ų | 82 | 14% | 0.144 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 9.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C14 S15 G22 N23 T26 | C14-G28 CarbonylContact C-O 3.55Å; C14-G28 VanDerWaalsContact CA-O 3.24Å; C14-G28 WeakPolarHBondContact CA-O 3.5Å; S15-G28 PolarHBondContact N-O 3.45Å; S15-G28 VanDerWaalsContact OG-C 3.29Å; S15-G28 WeakPolarHBondContact OG-CA 3.16Å; S15-G28 PolarHBondContact OG-O 3.44Å; G22-G28 VanDerWaalsContact CA-O 3.3Å; G22-G28 WeakPolarHBondContact CA-O 3.4Å; N23-G28 WeakPolarHBondContact O-CA 3.05Å; N23-G28 PolarHBondContact O-N 3.46Å; T26-G28 PolarHBondContact O-N 3.32Å |
| 29 | M | 94.7 | Very high | 92.6 | Very high | 17 Ų | 17 | 85.4 Ų | 85.4 | 8% | 0.084 | 44% | 0.436 | C | S | . | . | trans | -84.4 | 149.6 | 174.2 | -65.6 | 178.6 | -103.8 | 0 | 0 | 111.7 | N23 T26 N27 C33 Y34 H37 | N23-M29 PolarHBondContact N-O 2.87Å; N23-M29 VanDerWaalsContact N-O 3.16Å; T26-M29 WeakPolarHBondContact O-CB 3.49Å; T26-M29 PolarHBondContact O-N 3.1Å; T26-M29 PolarHBondContact OG1-O 3.26Å; N27-M29 HydrophobicContact CB-CE 3.82Å; N27-M29 PolarHBondContact O-N 3.13Å; M29-C33 HydrophobicContact CB-CB 4.49Å; M29-Y34 HydrophobicContact CB-CD2 4.36Å; M29-Y34 HydrophobicContact CE-CD2 3.97Å; M29-Y34 HydrophobicContact CE-CE2 4.48Å; M29-Y34 HydrophobicContact SD-CD2 4.29Å; M29-H37 HydrophobicContact CE-CB 4.14Å; M29-H37 HydrophobicContact SD-CB 3.61Å | ||
| 30 | C | 94.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 90 Ų | 90 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | trans | -74.2 | 167.2 | 167.5 | 76.9 | 0 | 0 | 0 | 0 | 110.7 | C14 C18 F20 Y21 V32 C33 Y34 | C14-C30 HydrophobicContact CB-CB 4.08Å; C14-C30 PolarHBondContact SG-N 3.3Å; C18-C30 VanDerWaalsContact SG-SG 3.63Å; F20-C30 HydrophobicContact CB-CB 4.02Å; Y21-C30 WeakPolarHBondContact O-CB 3.43Å; C30-V32 PolarHBondContact O-N 3.48Å; C30-V32 VanDerWaalsContact O-N 3.15Å; C30-C33 PolarHBondContact O-N 2.71Å; C30-C33 PolarHBondContact SG-N 2.89Å; C30-C33 VanDerWaalsContact SG-SG 3.66Å; C30-Y34 WeakPolarHBondContact O-CB 3.4Å; C30-Y34 PolarHBondContact O-N 3.31Å | ||
| 31 | S | 92.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 89 Ų | 89 | 71% | 0.713 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.7 | -27 | -177 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | K35 | S31-K35 PolarHBondContact O-N 3.19Å |
| 32 | V | 94.8 | Very high | 91.7 | Very high | 105 Ų | 105 | 87.4 Ų | 87.4 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -78.9 | -57.1 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | C30 Y34 K35 E36 | C30-V32 PolarHBondContact O-N 3.48Å; C30-V32 VanDerWaalsContact O-N 3.15Å; V32-Y34 VanDerWaalsContact C-N 3.29Å; V32-Y34 PolarHBondContact O-N 3.29Å; V32-K35 WeakPolarHBondContact O-CB 3.12Å; V32-K35 PolarHBondContact O-N 3.32Å; V32-K35 VanDerWaalsContact O-N 3.1Å; V32-E36 PolarHBondContact O-N 3.1Å; V32-E36 VanDerWaalsContact O-N 3.07Å |
| 33 | C | 95.3 | Very high | 91 | Very high | 13 Ų | 13 | 90.6 Ų | 90.6 | 9% | 0.088 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.2 | -32.6 | -179.4 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | T16 M29 C30 E36 H37 | T16-C33 HydrophobicContact CG2-CB 4.35Å; T16-C33 WeakPolarHBondContact OG1-CB 3.42Å; M29-C33 HydrophobicContact CB-CB 4.49Å; C30-C33 PolarHBondContact O-N 2.71Å; C30-C33 PolarHBondContact SG-N 2.89Å; C30-C33 VanDerWaalsContact SG-SG 3.66Å; C33-E36 PolarHBondContact O-N 3.48Å; C33-H37 WeakPolarHBondContact O-CB 3.37Å; C33-H37 PolarHBondContact O-N 2.83Å |
| 34 | Y | 94.4 | Very high | 89.9 | Confident | 76 Ų | 76 | 92 Ų | 92 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 173.7 | -173.4 | -108.8 | 0 | 0 | 0 | 112.4 | T26 M29 C30 V32 H37 L38 | T26-Y34 HydrophobicContact CG2-CD1 3.77Å; T26-Y34 HydrophobicContact CG2-CD2 4.02Å; T26-Y34 HydrophobicContact CG2-CE1 3.81Å; T26-Y34 HydrophobicContact CG2-CE2 4.05Å; T26-Y34 HydrophobicContact CG2-CG 3.88Å; M29-Y34 HydrophobicContact CB-CD2 4.36Å; M29-Y34 HydrophobicContact CE-CD2 3.97Å; M29-Y34 HydrophobicContact CE-CE2 4.48Å; M29-Y34 HydrophobicContact SD-CD2 4.29Å; C30-Y34 WeakPolarHBondContact O-CB 3.4Å; C30-Y34 PolarHBondContact O-N 3.31Å; V32-Y34 VanDerWaalsContact C-N 3.29Å; V32-Y34 PolarHBondContact O-N 3.29Å; Y34-H37 PolarHBondContact O-N 3.06Å; Y34-L38 WeakPolarHBondContact O-CB 3.33Å; Y34-L38 PolarHBondContact O-N 3.46Å |
| 35 | K | 94.3 | Very high | 88.3 | Confident | 156 Ų | 156 | 92 Ų | 92 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 174.8 | -175.6 | 179.6 | -67.2 | -174.5 | 0 | 111.2 | S31 V32 L38 Q39 | S31-K35 PolarHBondContact O-N 3.19Å; V32-K35 WeakPolarHBondContact O-CB 3.12Å; V32-K35 PolarHBondContact O-N 3.32Å; V32-K35 VanDerWaalsContact O-N 3.1Å; K35-L38 PolarHBondContact O-N 3.23Å; K35-Q39 WeakPolarHBondContact O-CB 3.32Å; K35-Q39 PolarHBondContact O-N 3.17Å |
| 36 | E | 94 | Very high | 86.7 | Confident | 89 Ų | 89 | 91.9 Ų | 91.9 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 174.4 | -167.9 | -168.8 | 156.9 | 0 | 0 | 111.9 | V32 C33 L38 Q39 R40 | V32-E36 PolarHBondContact O-N 3.1Å; V32-E36 VanDerWaalsContact O-N 3.07Å; C33-E36 PolarHBondContact O-N 3.48Å; E36-L38 PolarHBondContact O-N 3.38Å; E36-Q39 WeakPolarHBondContact O-CB 3.42Å; E36-Q39 PolarHBondContact O-N 3.1Å; E36-R40 WeakPolarHBondContact O-CG 3.49Å; E36-R40 PolarHBondContact O-N 3.04Å; E36-R40 IonicContact OE1-CZ 3.21Å; E36-R40 IonicContact OE1-NE 2.88Å; E36-R40 PolarHBondContact OE1-NE 3.38Å; E36-R40 IonicContact OE1-NH2 2.69Å; E36-R40 PolarHBondContact OE1-NH2 3.22Å |
| 37 | H | 92.2 | Very high | 84.8 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 41% | 0.407 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.4 | -179.4 | -84.4 | 0 | 0 | 0 | 111.8 | M29 C33 Y34 Q39 R40 Q41 | M29-H37 HydrophobicContact CE-CB 4.14Å; M29-H37 HydrophobicContact SD-CB 3.61Å; C33-H37 WeakPolarHBondContact O-CB 3.37Å; C33-H37 PolarHBondContact O-N 2.83Å; Y34-H37 PolarHBondContact O-N 3.06Å; H37-Q39 PolarHBondContact O-N 3.35Å; H37-R40 PolarHBondContact O-N 3.17Å; H37-Q41 WeakPolarHBondContact O-CB 3.4Å; H37-Q41 PolarHBondContact O-N 3.17Å |
| 38 | L | 92.6 | Very high | 82.7 | Confident | 85 Ų | 85 | 98 Ų | 98 | 45% | 0.445 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 177 | -172 | 65.5 | 0 | 0 | 0 | 112 | Y34 K35 E36 Q41 N42 | Y34-L38 WeakPolarHBondContact O-CB 3.33Å; Y34-L38 PolarHBondContact O-N 3.46Å; K35-L38 PolarHBondContact O-N 3.23Å; E36-L38 PolarHBondContact O-N 3.38Å; L38-Q41 PolarHBondContact O-N 3.27Å; L38-N42 VanDerWaalsContact O-CB 3.32Å; L38-N42 WeakPolarHBondContact O-CB 3.34Å; L38-N42 PolarHBondContact O-N 2.99Å |
| 39 | Q | 91.6 | Very high | 80.9 | Confident | 124 Ų | 124 | 102.8 Ų | 102.8 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 174.3 | -175.9 | 64 | 55.4 | 0 | 0 | 111.4 | K35 E36 H37 N42 S43 | K35-Q39 WeakPolarHBondContact O-CB 3.32Å; K35-Q39 PolarHBondContact O-N 3.17Å; E36-Q39 WeakPolarHBondContact O-CB 3.42Å; E36-Q39 PolarHBondContact O-N 3.1Å; H37-Q39 PolarHBondContact O-N 3.35Å; Q39-N42 PolarHBondContact O-N 2.98Å; Q39-S43 PolarHBondContact O-N 2.66Å; Q39-S43 PolarHBondContact O-OG 3.48Å |
| 40 | R | 88.4 | Confident | 78.6 | Confident | 152 Ų | 152 | 108 Ų | 108 | 57% | 0.574 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.3 | -39.5 | 175.2 | -69.5 | 170.5 | -178.9 | -85.2 | 5 | 111.8 | E36 H37 S43 N44 | E36-R40 WeakPolarHBondContact O-CG 3.49Å; E36-R40 PolarHBondContact O-N 3.04Å; E36-R40 IonicContact OE1-CZ 3.21Å; E36-R40 IonicContact OE1-NE 2.88Å; E36-R40 PolarHBondContact OE1-NE 3.38Å; E36-R40 IonicContact OE1-NH2 2.69Å; E36-R40 PolarHBondContact OE1-NH2 3.22Å; H37-R40 PolarHBondContact O-N 3.17Å; R40-S43 WeakPolarHBondContact CA-OG 2.98Å; R40-S43 PolarHBondContact O-N 3.03Å; R40-S43 PolarHBondContact O-OG 2.83Å; R40-N44 VanDerWaalsContact O-CB 3.23Å; R40-N44 WeakPolarHBondContact O-CB 3.48Å; R40-N44 PolarHBondContact O-N 3.19Å; R40-N44 PolarHBondContact O-OD1 2.9Å |
| 41 | Q | 86.6 | Confident | 76 | Confident | 123 Ų | 123 | 111.6 Ų | 111.6 | 58% | 0.575 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.2 | -42.4 | 176.3 | -170.5 | 177.7 | 33.8 | 0 | 0 | 111.7 | H37 L38 N44 | H37-Q41 WeakPolarHBondContact O-CB 3.4Å; H37-Q41 PolarHBondContact O-N 3.17Å; L38-Q41 PolarHBondContact O-N 3.27Å; Q41-N44 PolarHBondContact O-N 3.39Å |
| 42 | N | 87.1 | Confident | 73.7 | Confident | 134 Ų | 134 | 112.3 Ų | 112.3 | 72% | 0.717 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70 | -30.8 | 178.9 | -166.1 | 41.7 | 0 | 0 | 0 | 112.7 | L38 Q39 | L38-N42 VanDerWaalsContact O-CB 3.32Å; L38-N42 WeakPolarHBondContact O-CB 3.34Å; L38-N42 PolarHBondContact O-N 2.99Å; Q39-N42 PolarHBondContact O-N 2.98Å |
| 43 | S | 78.7 | Confident | 71.4 | Confident | 80 Ų | 80 | 112.7 Ų | 112.7 | 56% | 0.559 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76.1 | -24.9 | 171.6 | 58.3 | 0 | 0 | 0 | 0 | 113.6 | Q39 R40 G45 | Q39-S43 PolarHBondContact O-N 2.66Å; Q39-S43 PolarHBondContact O-OG 3.48Å; R40-S43 WeakPolarHBondContact CA-OG 2.98Å; R40-S43 PolarHBondContact O-N 3.03Å; R40-S43 PolarHBondContact O-OG 2.83Å; S43-G45 PolarHBondContact O-N 3.38Å |
| 44 | N | 66.8 | Low | 69 | Low | 112 Ų | 112 | 118.7 Ų | 118.7 | 60% | 0.599 | 66% | 0.659 | S | S | * | * | trans | -88.7 | 33.4 | -173.7 | -75.7 | 32.1 | 0 | 0 | 0 | 113.7 | R40 Q41 R46 | R40-N44 VanDerWaalsContact O-CB 3.23Å; R40-N44 WeakPolarHBondContact O-CB 3.48Å; R40-N44 PolarHBondContact O-N 3.19Å; R40-N44 PolarHBondContact O-OD1 2.9Å; Q41-N44 PolarHBondContact O-N 3.39Å; N44-R46 PolarHBondContact O-N 3.45Å | ||
| 45 | G | 56.1 | Low | 66.4 | Low | 79 Ų | 79 | 120.3 Ų | 120.3 | 81% | 0.814 | 68% | 0.681 | S | S | * | * | trans | -64.8 | 12.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S43 | S43-G45 PolarHBondContact O-N 3.38Š| ||
| 46 | R | 54.9 | Low | 63.8 | Low | 225 Ų | 225 | 117.9 Ų | 117.9 | 85% | 0.849 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -144.9 | 140.6 | 168.3 | -118.2 | -178.1 | 177.9 | -173.4 | -1 | 109.5 | N44 | N44-R46 PolarHBondContact O-N 3.45Š|
| 47 | I | 50 | Low | 61.5 | Low | 168 Ų | 168 | 121.3 Ų | 121.3 | 86% | 0.862 | 70% | 0.703 | S | S | * | * | trans | 96 | 93.9 | 179.3 | -51.3 | 158.5 | 0 | 0 | 0 | 113.8 | ||||
| 48 | S | 44.5 | Very low | 58.9 | Low | 106 Ų | 106 | 122.6 Ų | 122.6 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 164.7 | 160.3 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 49 | P | 54.1 | Low | 56.3 | Low | 116 Ų | 116 | 126.9 Ų | 126.9 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -84 | 156.1 | -161.8 | 34.2 | -36.1 | 0 | 0 | 0 | 113.7 | ||
| 50 | P | 47.4 | Very low | 53.8 | Low | 126 Ų | 126 | 125.4 Ų | 125.4 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 116.6 | 151.9 | 31.8 | -27.9 | 0 | 0 | 0 | 109.5 | ||
| 51 | A | 41 | Very low | 51.6 | Low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -89 | 168.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 52 | S | 42.8 | Very low | 49.7 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 77.7 | 140.7 | -176.4 | -48.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 53 | S | 45.5 | Very low | 47.1 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | cis | -137.7 | 144.2 | 16.8 | -56.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 54 | V | 45.8 | Very low | 45.1 | Very low | 139 Ų | 139 | 128.3 Ų | 128.3 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -97.6 | 136.7 | 157 | -78.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 55 | S | 40.3 | Very low | 43.4 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -152.9 | 121.1 | 157.2 | -68.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 56 | S | 40.3 | Very low | 42.3 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | 57.4 | 118.8 | 54.5 | -55.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 57 | I | 45.8 | Very low | 41.2 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | cis | -156.7 | 164.7 | 12 | 33.8 | 170.2 | 0 | 0 | 0 | 105.4 | ||||
| 58 | T | 37 | Very low | 40.2 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | -153.3 | 147.9 | 47.7 | 52.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 59 | E | 38.7 | Very low | 39.6 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | 45.4 | 128.4 | 85 | -102.4 | -160.5 | 88.6 | 0 | 0 | 115 | |||||
| 60 | S | 37.8 | Very low | 38.6 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | cis | -151.9 | 163.9 | 10.8 | -42 | 0 | 0 | 0 | 0 | 113 | ||||
| 61 | L | 42.4 | Very low | 38.2 | Very low | 163 Ų | 163 | 125.9 Ų | 125.9 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -57.6 | 159 | 161.4 | -76.6 | 171.7 | 0 | 0 | 0 | 110.9 | ||||
| 62 | P | 46.3 | Very low | 37.9 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | -163.6 | -171.4 | 65.1 | 47.1 | -24.7 | 0 | 0 | 0 | 119.8 | |||||
| 63 | V | 33.7 | Very low | 37.5 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | 69.9 | 98.7 | 158.5 | 179.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 64 | Q | 35.1 | Very low | 37 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | 71.2 | 116.4 | 91.8 | -71 | -178.9 | 25.1 | 0 | 0 | 114.4 | |||||
| 65 | C | 32.5 | Very low | 36.6 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | 78.3 | 117.8 | 106.2 | -61.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 66 | T | 32.4 | Very low | 36.2 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | -177.8 | 144.7 | 110.5 | 25.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 67 | E | 30.8 | Very low | 36.2 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | 4.2 | 141 | 141.8 | -55.9 | 164.1 | 123 | 0 | 0 | 118 | ||||
| 68 | G | 29.6 | Very low | 35.5 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | cis | 163 | -149.5 | 6.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 69 | S | 33 | Very low | 35.7 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 77.9 | 113.4 | 178.8 | -162.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 70 | A | 33.2 | Very low | 35.5 | Very low | 81 Ų | 81 | 129.5 Ų | 129.5 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | -6.8 | 147.1 | 133.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 71 | Q | 38.7 | Very low | 35.6 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | -146.2 | 153.4 | 65.1 | -85 | 168 | -27.7 | 0 | 0 | 117.6 | |||||
| 72 | E | 34.7 | Very low | 35.2 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | -83.4 | 138.2 | 172.2 | 178 | -172.1 | 134.4 | 0 | 0 | 110.8 | ||||
| 73 | T | 33.9 | Very low | 35 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -175.3 | 100.5 | 149.2 | 30.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 74 | Q | 36 | Very low | 35.3 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | 55.6 | 108.6 | 93.1 | -79.1 | -159.3 | 13.3 | 0 | 0 | 116.4 | |||||
| 75 | S | 36.8 | Very low | 36.1 | Very low | 91 Ų | 91 | 126.9 Ų | 126.9 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | 73.5 | 118.8 | 129.1 | -46.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 76 | T | 31.7 | Very low | 36.7 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | 158.4 | 156.7 | 96.5 | 50 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 77 | L | 39.5 | Very low | 37 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | 75.2 | 128.1 | 157.5 | -43.7 | -167.9 | 0 | 0 | 0 | 121.1 | ||||
| 78 | D | 30.9 | Very low | 38 | Very low | 144 Ų | 144 | 134.2 Ų | 134.2 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -84 | 142 | 166.2 | 169.3 | -150.9 | 0 | 0 | 0 | 110.9 | ||||
| 79 | S | 41.9 | Very low | 38.7 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | 169.4 | 114.2 | 129.4 | -76.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 80 | T | 34.6 | Very low | 39.3 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | 55.2 | 113.7 | 128.5 | -40.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 81 | S | 39.1 | Very low | 39.5 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | -178.6 | 127.9 | 108.9 | -80 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 82 | T | 35.6 | Very low | 40 | Very low | 125 Ų | 125 | 139 Ų | 139 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | 57.7 | 107.1 | 138.9 | 61.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 83 | S | 41.8 | Very low | 40.8 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | 177.1 | 123.7 | 105.1 | -83.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 84 | S | 38.8 | Very low | 41.3 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | 58.4 | 126.4 | 87 | -74.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 85 | M | 53 | Low | 41.7 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | cis | -162 | 171.3 | 10.3 | -104.3 | -54.6 | 166.7 | 0 | 0 | 108.1 | ||||
| 86 | Q | 45 | Very low | 42.1 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | cis | -157.2 | 150.7 | 7.9 | 173 | 76.2 | 68.2 | 0 | 0 | 108.4 | ||||
| 87 | Q | 39.1 | Very low | 42.3 | Very low | 183 Ų | 183 | 140 Ų | 140 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -124.3 | 149.2 | 151.5 | -78.2 | -170.7 | -80.3 | 0 | 0 | 111.3 | ||||
| 88 | R | 51.1 | Low | 42.3 | Very low | 248 Ų | 248 | 141.1 Ų | 141.1 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -85.9 | 138.6 | -179.5 | -73 | 172.1 | 165.8 | 166.1 | -6 | 110.6 | ||||
| 89 | S | 43.8 | Very low | 43 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -137 | 134.5 | 160.3 | -170.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 90 | L | 45.5 | Very low | 42.5 | Very low | 179 Ų | 179 | 142.4 Ų | 142.4 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | trans | -92.8 | 122.1 | 173.2 | -68 | 170.3 | 0 | 0 | 0 | 107.5 | ||||
| 91 | S | 38.2 | Very low | 42.5 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | trans | -134.4 | 107.7 | 179.4 | -168.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 92 | N | 48.1 | Very low | 42.2 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | trans | -117.9 | 100.6 | 166.1 | -78.5 | 1.8 | 0 | 0 | 0 | 107.7 | ||||
| 93 | Q | 51.4 | Low | 42.3 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -106.8 | 140.3 | 156.5 | -88.4 | -166.8 | 82.6 | 0 | 0 | 108.3 | ||||
| 94 | S | 45.9 | Very low | 42.5 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -147 | 148.1 | 144.9 | -165.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 95 | L | 43.1 | Very low | 42.5 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 67% | 0.665 | 82% | 0.815 | S | S | * | * | trans | -110 | 147.4 | -159.1 | -77.9 | 159.9 | 0 | 0 | 0 | 112.4 | ||||
| 96 | L | 45.8 | Very low | 41.3 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | trans | 47.5 | 119.9 | 142.4 | -57.3 | 173 | 0 | 0 | 0 | 120.2 | ||||
| 97 | T | 36.5 | Very low | 41.1 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | trans | -136.8 | 117.6 | 137 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 98 | E | 39.1 | Very low | 40.7 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -115.6 | 121.8 | 167.2 | -81.1 | -163.1 | 108.7 | 0 | 0 | 109.5 | ||||
| 99 | S | 44.7 | Very low | 40.1 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -167.7 | 112.7 | 163 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 100 | V | 32.8 | Very low | 39.7 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 95% | 0.952 | 81% | 0.814 | S | S | * | * | trans | -152.3 | 133.7 | 147.6 | -99.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 101 | A | 33.9 | Very low | 39 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -91.7 | 160.2 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 102 | S | 32.2 | Very low | 39 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -29.1 | 135.1 | 165.9 | -168.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 103 | S | 39.2 | Very low | 38.2 | Very low | 115 Ų | 115 | 134 Ų | 134 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -157.5 | 131.5 | 139 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 104 | Q | 44.8 | Very low | 37.9 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -80.1 | 171.3 | 164.3 | -66.9 | -170.5 | -42.1 | 0 | 0 | 110.1 | ||||
| 105 | P | 38.9 | Very low | 37.6 | Very low | 129 Ų | 129 | 132 Ų | 132 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | -129.6 | 158.1 | 112.4 | 36.8 | -31.1 | 0 | 0 | 0 | 114.9 | |||||
| 106 | D | 29.2 | Very low | 37.6 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -86.4 | -178.5 | 179.2 | -167.5 | 4.5 | 0 | 0 | 0 | 111.8 | ||||
| 107 | S | 39.3 | Very low | 37.2 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | 89.2 | 133.3 | 178.6 | -47.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 108 | T | 31.2 | Very low | 37.5 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | cis | -156.6 | 152.3 | 1.9 | 4.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 109 | A | 38.4 | Very low | 37.2 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -78.1 | 146.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 110 | V | 35.2 | Very low | 36.9 | Very low | 150 Ų | 150 | 133 Ų | 133 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -147.4 | 137.8 | 145.1 | -113.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 111 | D | 31.6 | Very low | 37.3 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | trans | -82.9 | 168.7 | -177.8 | -175.6 | 34.9 | 0 | 0 | 0 | 111.9 | ||||
| 112 | K | 37.7 | Very low | 37.4 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | 23.9 | 140.2 | 157.5 | -81.2 | 171.7 | -163 | 145.9 | 0 | 120.3 | ||||
| 113 | T | 31.7 | Very low | 37.7 | Very low | 119 Ų | 119 | 133 Ų | 133 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | -179.5 | 131.7 | 92.7 | -71.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 114 | V | 44.3 | Very low | 37.3 | Very low | 130 Ų | 130 | 134 Ų | 134 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | trans | -86.2 | 138.3 | 162.7 | 173.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 115 | P | 40.3 | Very low | 37.1 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | trans | -122 | 129 | 145.1 | 24.2 | -8.4 | 0 | 0 | 0 | 111.7 | ||||
| 116 | E | 43.6 | Very low | 37 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -88.8 | 136.6 | 163.7 | 175 | -178.9 | 107.3 | 0 | 0 | 108.1 | ||||
| 117 | T | 36.6 | Very low | 37.4 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -149.4 | 100.6 | 164.6 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 118 | E | 43.5 | Very low | 37.2 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | -3.7 | 150.6 | 121.6 | -70.7 | -175.2 | 147 | 0 | 0 | 116.9 | |||||
| 119 | D | 31.4 | Very low | 37.8 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 64% | 0.642 | 77% | 0.765 | S | S | * | * | cis | -169.8 | -174.1 | 2.7 | 172.9 | -134.3 | 0 | 0 | 0 | 109.5 | ||||
| 120 | L | 39.8 | Very low | 38 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | 88.9 | 103.6 | 162.9 | -54 | 170.9 | 0 | 0 | 0 | 116.1 | ||||
| 121 | Q | 40.5 | Very low | 38.1 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | 77 | 112.3 | 58.2 | -71.4 | -162.4 | -21.5 | 0 | 0 | 116.3 | |||||
| 122 | A | 35.1 | Very low | 38.9 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | 173.1 | 147.5 | 139.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 123 | S | 38.4 | Very low | 39.5 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -172.4 | 131.4 | -22.1 | 50.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 124 | V | 32.6 | Very low | 40.3 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | 70.1 | 137.2 | 149.2 | -178 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 125 | S | 39.4 | Very low | 40.6 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -23.4 | 165.3 | 158 | -50.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 126 | E | 37.8 | Very low | 40.9 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | cis | -164 | 138.6 | 42.7 | -156.6 | 166 | 120.9 | 0 | 0 | 116.2 | ||||
| 127 | N | 36.2 | Very low | 40.9 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | 43.1 | 123.1 | 146.1 | -163.1 | 27.2 | 0 | 0 | 0 | 123.3 | ||||
| 128 | A | 35.5 | Very low | 41.4 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | -175.8 | 123.5 | 121.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 129 | E | 44.9 | Very low | 42 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | trans | -93.6 | 136.1 | 166.3 | -172.3 | 172.5 | 124.8 | 0 | 0 | 109.6 | ||||
| 130 | P | 42 | Very low | 43.1 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | -141 | 145.8 | 115.3 | 35.4 | -21.5 | 0 | 0 | 0 | 114.2 | |||||
| 131 | T | 38 | Very low | 43.9 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | trans | -66.4 | 151.7 | 156.7 | 37.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 132 | P | 46.8 | Very low | 45 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -144.3 | 164 | 56 | 39.6 | -19.7 | 0 | 0 | 0 | 118.3 | |||||
| 133 | E | 51.1 | Low | 46.2 | Very low | 183 Ų | 183 | 143.1 Ų | 143.1 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 28.6 | 135.6 | 145.1 | -57.6 | -177.8 | 141.7 | 0 | 0 | 122.9 | ||||
| 134 | E | 49.5 | Very low | 47.3 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 84.8 | 130.2 | 159.2 | -57.7 | -137.5 | 119.6 | 0 | 0 | 121.1 | ||||
| 135 | Q | 49.9 | Very low | 48.9 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | 87.3 | 139.7 | 160.1 | -64.2 | 173.7 | 46.9 | 0 | 0 | 121.3 | ||||
| 136 | D | 46.8 | Very low | 50.4 | Low | 129 Ų | 129 | 153.3 Ų | 153.3 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | trans | 57.8 | 103 | 174 | -141.2 | -75.2 | 0 | 0 | 0 | 121.2 | S138 | D136-S138 PolarHBondContact OD1-N 3.4Å; D136-S138 PolarHBondContact OD1-OG 3.5Å | ||
| 137 | K | 42.4 | Very low | 52.8 | Low | 211 Ų | 211 | 148.6 Ų | 148.6 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | trans | -129.7 | 85.1 | 139.9 | -74.8 | -163.5 | 176.1 | -179.8 | 0 | 111.2 | ||||
| 138 | S | 48.1 | Very low | 55.6 | Low | 93 Ų | 93 | 148.6 Ų | 148.6 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | -24.1 | 122.4 | 159.3 | 36.8 | 0 | 0 | 0 | 0 | 117.6 | D136 | D136-S138 PolarHBondContact OD1-N 3.4Å; D136-S138 PolarHBondContact OD1-OG 3.5Å | ||
| 139 | L | 55.8 | Low | 58.4 | Low | 139 Ų | 139 | 144.4 Ų | 144.4 | 73% | 0.728 | 72% | 0.718 | S | S | * | * | 51.3 | 87.6 | 120 | -144.3 | 87.9 | 0 | 0 | 0 | 119.8 | K141 | L139-K141 HydrophobicContact CD1-CD 4.44Š| |||
| 140 | D | 54.9 | Low | 60.8 | Low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -125.5 | 98.1 | 141.5 | -153.4 | -43.8 | 0 | 0 | 0 | 110.6 | ||||
| 141 | K | 56.7 | Low | 63.3 | Low | 163 Ų | 163 | 140.6 Ų | 140.6 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 117.1 | 176.2 | -79.4 | 176.1 | 176.7 | 169.8 | 0 | 108.2 | L139 K143 | L139-K141 HydrophobicContact CD1-CD 4.44Å; K141-K143 PolarHBondContact O-N 3.07Å; K141-K143 VanDerWaalsContact O-N 3.14Å |
| 142 | P | 62.9 | Low | 66 | Low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 124.2 | -179.3 | 21.8 | -32.5 | 0 | 0 | 0 | 110.5 | Q144 | P142-Q144 PolarHBondContact O-N 2.99Å; P142-Q144 VanDerWaalsContact O-N 3.15Å |
| 143 | K | 60.4 | Low | 68.2 | Low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -48 | 119.5 | -172.9 | -74.2 | 167.4 | 179.4 | 164.1 | 0 | 111 | K141 K145 | K141-K143 PolarHBondContact O-N 3.07Å; K141-K143 VanDerWaalsContact O-N 3.14Å; K143-K145 PolarHBondContact O-N 3.38Å |
| 144 | Q | 62.8 | Low | 70.2 | Confident | 178 Ų | 178 | 138.6 Ų | 138.6 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -51.1 | 105.5 | -176.2 | -76.8 | -89 | -21.6 | 0 | 0 | 110.9 | P142 | P142-Q144 PolarHBondContact O-N 2.99Å; P142-Q144 VanDerWaalsContact O-N 3.15Å | ||
| 145 | K | 65.5 | Low | 72.4 | Confident | 181 Ų | 181 | 138.6 Ų | 138.6 | 79% | 0.787 | 66% | 0.655 | S | S | * | * | trans | -62.6 | 139.2 | -175.8 | 28.8 | -175.8 | 172.8 | 178.2 | 0 | 110.9 | K143 N147 | K143-K145 PolarHBondContact O-N 3.38Å; K145-N147 PolarHBondContact O-N 3.35Å; K145-N147 PolarHBondContact O-ND2 3.27Å | ||
| 146 | K | 71.1 | Confident | 74.4 | Confident | 194 Ų | 194 | 130.3 Ų | 130.3 | 84% | 0.843 | 62% | 0.617 | S | S | * | * | trans | -57.6 | 93.5 | -173.5 | 35.8 | -179.1 | 169.3 | -179.5 | 0 | 112.1 | R148 | K146-R148 PolarHBondContact O-N 3.38Š| ||
| 147 | N | 88.1 | Confident | 76.4 | Confident | 77 Ų | 77 | 125.5 Ų | 125.5 | 41% | 0.412 | 60% | 0.598 | S | S | . | * | trans | -70 | 60.7 | 177.8 | -66.7 | -50.7 | 0 | 0 | 0 | 112.9 | K145 V156 | K145-N147 PolarHBondContact O-N 3.35Å; K145-N147 PolarHBondContact O-ND2 3.27Å; N147-V156 VanDerWaalsContact C-CG2 3.49Å; N147-V156 PolarHBondContact O-N 2.85Å | ||
| 148 | R | 93.8 | Very high | 78.4 | Confident | 145 Ų | 145 | 124.3 Ų | 124.3 | 55% | 0.547 | 60% | 0.601 | S | S | . | * | B | Isolated β-bridge | trans | -142.4 | 135.7 | -173.3 | -169.8 | 178.5 | -90.7 | -121.8 | 14.7 | 110 | K146 F150 R153 K154 | K146-R148 PolarHBondContact O-N 3.38Å; R148-F150 PolarHBondContact O-N 2.88Å; R148-R153 WeakPolarHBondContact CD-O 3.36Å; R148-R153 HydrophobicContact CG-CB 4.37Å; R148-R153 WeakPolarHBondContact CG-O 3.25Å; R148-R153 VanDerWaalsContact CZ-O 3.26Å; R148-R153 PolarHBondContact NE-O 3.08Å; R148-R153 PolarHBondContact NH1-O 3.16Å; R148-K154 CarbonylContact C-O 3.58Å; R148-K154 WeakPolarHBondContact CA-O 3.45Å; R148-K154 WeakPolarHBondContact CG-O 3.3Å |
| 149 | C | 94.9 | Very high | 80.3 | Confident | 2 Ų | 2 | 125.1 Ų | 125.1 | 1% | 0.014 | 60% | 0.602 | C | S | . | * | trans | -58 | 130.7 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | M151 R153 K154 V156 V168 C170 | C149-M151 PolarHBondContact O-N 3.46Å; C149-R153 WeakPolarHBondContact O-CA 3.28Å; C149-R153 PolarHBondContact O-N 3.39Å; C149-K154 PolarHBondContact N-O 2.91Å; C149-V156 HydrophobicContact CB-CG1 3.94Å; C149-V168 CarbonylContact C-O 3.59Å; C149-V168 WeakPolarHBondContact CA-O 3.01Å; C149-C170 HydrophobicContact CB-CB 4.19Å; C149-C170 PolarHBondContact SG-N 3.29Å; C149-C170 VanDerWaalsContact SG-N 3.45Å | ||
| 150 | F | 94.4 | Very high | 82.1 | Confident | 127 Ų | 127 | 119.7 Ų | 119.7 | 56% | 0.557 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -41.5 | -177.7 | -174.9 | -98.6 | 0 | 0 | 0 | 113.2 | R148 N167 V168 Y169 | R148-F150 PolarHBondContact O-N 2.88Å; F150-N167 HydrophobicContact CB-CB 3.96Å; F150-N167 HydrophobicContact CD2-CB 4.35Å; F150-N167 WeakPolarHBondContact CD2-OD1 3.27Å; F150-N167 WeakPolarHBondContact CE2-OD1 3.33Å; F150-N167 HydrophobicContact CG-CB 4.05Å; F150-V168 PolarHBondContact N-O 3.16Å; F150-Y169 HydrophobicContact CB-CD1 4.32Å; F150-Y169 HydrophobicContact CB-CE1 3.77Å; F150-Y169 HydrophobicContact CD1-CE1 4.31Å |
| 151 | M | 94.5 | Very high | 84 | Confident | 76 Ų | 76 | 115.9 Ų | 115.9 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.9 | -75.4 | 175.8 | -75.4 | 176.4 | 81.7 | 0 | 0 | 112.9 | C149 R153 Y169 H173 V178 H179 | C149-M151 PolarHBondContact O-N 3.46Å; M151-R153 VanDerWaalsContact C-N 3.26Å; M151-R153 PolarHBondContact O-N 2.95Å; M151-Y169 HydrophobicContact CG-CD1 4.34Å; M151-Y169 HydrophobicContact CG-CE1 4.01Å; M151-H173 HydrophobicContact SD-CB 3.73Å; M151-H173 PolarHBondContact SD-CD2 3.38Å; M151-V178 WeakPolarHBondContact CE-O 3.19Å; M151-V178 VanDerWaalsContact SD-O 3.35Å; M151-H179 HydrophobicContact CG-CB 3.9Å; M151-H179 WeakPolarHBondContact SD-CA 3.19Å; M151-H179 HydrophobicContact SD-CB 3.32Å; M151-H179 WeakPolarHBondContact SD-CB 3.21Å |
| 152 | C | 95.2 | Very high | 85.8 | Confident | 58 Ų | 58 | 116.1 Ų | 116.1 | 39% | 0.392 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | 3.3 | -167.2 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | K154 C170 H173 | C152-K154 PolarHBondContact O-N 3.44Å; C152-K154 VanDerWaalsContact SG-CB 3.58Å; C152-C170 VanDerWaalsContact SG-SG 3.64Å; C152-H173 VanDerWaalsContact CB-CE1 3.48Å; C152-H173 WeakPolarHBondContact CB-CE1 3.28Å; C152-H173 VanDerWaalsContact SG-CE1 3.57Å; C152-H173 PolarHBondContact SG-ND1 3.07Å; C152-H173 VanDerWaalsContact SG-ND1 3.39Å |
| 153 | R | 92.6 | Very high | 87.3 | Confident | 180 Ų | 180 | 111.4 Ų | 111.4 | 68% | 0.679 | 53% | 0.529 | S | S | * | . | trans | 53.4 | 20.2 | -178.9 | -61.3 | -177.2 | -175.9 | -178.4 | 2.6 | 114.2 | R148 C149 M151 | R148-R153 WeakPolarHBondContact CD-O 3.36Å; R148-R153 HydrophobicContact CG-CB 4.37Å; R148-R153 WeakPolarHBondContact CG-O 3.25Å; R148-R153 VanDerWaalsContact CZ-O 3.26Å; R148-R153 PolarHBondContact NE-O 3.08Å; R148-R153 PolarHBondContact NH1-O 3.16Å; C149-R153 WeakPolarHBondContact O-CA 3.28Å; C149-R153 PolarHBondContact O-N 3.39Å; M151-R153 VanDerWaalsContact C-N 3.26Å; M151-R153 PolarHBondContact O-N 2.95Å | ||
| 154 | K | 94.4 | Very high | 88.8 | Confident | 132 Ų | 132 | 108.3 Ų | 108.3 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | trans | -70.5 | 136.2 | 173.3 | -174.9 | 170.1 | -71 | -171.2 | 0 | 110.1 | R148 C149 C152 V156 | R148-K154 CarbonylContact C-O 3.58Å; R148-K154 WeakPolarHBondContact CA-O 3.45Å; R148-K154 WeakPolarHBondContact CG-O 3.3Å; C149-K154 PolarHBondContact N-O 2.91Å; C152-K154 PolarHBondContact O-N 3.44Å; C152-K154 VanDerWaalsContact SG-CB 3.58Å; K154-V156 PolarHBondContact O-N 3Å | ||
| 155 | K | 94.3 | Very high | 90.3 | Very high | 173 Ų | 173 | 101.3 Ų | 101.3 | 75% | 0.752 | 48% | 0.482 | S | S | * | . | B | Isolated β-bridge | trans | -63.9 | 123.6 | 174.1 | -170.6 | -177.9 | -179.2 | -173.9 | 0 | 108.3 | ||
| 156 | V | 93.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 95.8 Ų | 95.8 | 6% | 0.055 | 48% | 0.477 | C | S | . | . | trans | -102.6 | -18.2 | -177 | -65.5 | 0 | 0 | 0 | 0 | 113.3 | N147 C149 K154 L158 T159 V168 C170 | N147-V156 VanDerWaalsContact C-CG2 3.49Å; N147-V156 PolarHBondContact O-N 2.85Å; C149-V156 HydrophobicContact CB-CG1 3.94Å; K154-V156 PolarHBondContact O-N 3Å; V156-L158 PolarHBondContact O-N 3.06Å; V156-T159 PolarHBondContact O-N 2.91Å; V156-T159 VanDerWaalsContact O-N 3.13Å; V156-T159 PolarHBondContact O-OG1 3.35Å; V156-T159 VanDerWaalsContact O-OG1 3.1Å; V156-V168 HydrophobicContact CG2-CG1 3.95Å; V156-C170 HydrophobicContact CG1-CB 3.64Å | ||
| 157 | G | 88 | Confident | 92.7 | Very high | 28 Ų | 28 | 88.9 Ų | 88.9 | 29% | 0.289 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | 55.7 | -136.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T159 | G157-T159 VanDerWaalsContact C-N 3.31Š|
| 158 | L | 85.4 | Confident | 93 | Very high | 186 Ų | 186 | 87.5 Ų | 87.5 | 97% | 0.974 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -75.1 | -15 | 177.6 | -63.4 | 172.2 | 0 | 0 | 0 | 113.8 | V156 G160 | V156-L158 PolarHBondContact O-N 3.06Å; L158-G160 VanDerWaalsContact C-N 3.35Å |
| 159 | T | 88.2 | Confident | 93.1 | Very high | 110 Ų | 110 | 80.8 Ų | 80.8 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -99.1 | 23.4 | -177.4 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | V156 G157 | V156-T159 PolarHBondContact O-N 2.91Å; V156-T159 VanDerWaalsContact O-N 3.13Å; V156-T159 PolarHBondContact O-OG1 3.35Å; V156-T159 VanDerWaalsContact O-OG1 3.1Å; G157-T159 VanDerWaalsContact C-N 3.31Å |
| 160 | G | 93.3 | Very high | 93.1 | Very high | 25 Ų | 25 | 81.5 Ų | 81.5 | 26% | 0.258 | 42% | 0.423 | S | S | . | . | trans | -72.2 | 130.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | L158 | L158-G160 VanDerWaalsContact C-N 3.35Š| ||
| 161 | F | 94.6 | Very high | 93.1 | Very high | 73 Ų | 73 | 77.5 Ų | 77.5 | 32% | 0.32 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.7 | 173.9 | -60.9 | -79.3 | 0 | 0 | 0 | 109.4 | V168 Y169 R174 | F161-V168 CarbonylContact O-C 3.58Å; F161-V168 WeakPolarHBondContact O-CA 3.15Å; F161-Y169 PolarHBondContact N-O 3.31Å; F161-Y169 PolarHBondContact O-N 2.76Å; F161-R174 HydrophobicContact CB-CB 4.24Å; F161-R174 HydrophobicContact CB-CG 3.73Å; F161-R174 HydrophobicContact CD1-CG 4.37Å; F161-R174 HydrophobicContact CD2-CB 4.18Å; F161-R174 HydrophobicContact CD2-CG 4.17Å; F161-R174 HydrophobicContact CG-CB 4.31Å; F161-R174 HydrophobicContact CG-CG 3.83Å |
| 162 | E | 94 | Very high | 93.1 | Very high | 168 Ų | 168 | 80.9 Ų | 80.9 | 79% | 0.785 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 133.2 | 169.8 | 52.1 | -163.6 | 138.5 | 0 | 0 | 110.9 | V168 | E162-V168 HydrophobicContact CB-CG2 4.44Å |
| 163 | C | 94.5 | Very high | 93.2 | Very high | 19 Ų | 19 | 79.8 Ų | 79.8 | 13% | 0.128 | 42% | 0.423 | C | S | . | . | trans | -103.3 | 158.6 | 175.7 | -170.4 | 0 | 0 | 0 | 0 | 110.4 | C165 G166 N167 Y169 H179 C181 Y185 | C163-C165 PolarHBondContact O-N 3.09Å; C163-C165 VanDerWaalsContact O-N 3.11Å; C163-G166 PolarHBondContact O-N 2.8Å; C163-N167 PolarHBondContact N-O 3.5Å; C163-Y169 HydrophobicContact CB-CD2 3.86Å; C163-Y169 HydrophobicContact CB-CE2 3.63Å; C163-H179 PolarHBondContact SG-CE1 3.18Å; C163-H179 PolarHBondContact SG-NE2 2.89Å; C163-C181 VanDerWaalsContact SG-SG 3.66Å; C163-Y185 PolarHBondContact SG-OH 2.69Å | ||
| 164 | R | 92.9 | Very high | 93.3 | Very high | 134 Ų | 134 | 77 Ų | 77 | 51% | 0.506 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17 | 178.5 | -57.9 | -169.6 | -173.7 | -172.9 | 2.9 | 114.3 | G166 Y183 Y185 D188 | R164-G166 PolarHBondContact O-N 3.43Å; R164-Y183 HydrophobicContact CB-CD1 3.72Å; R164-Y183 HydrophobicContact CB-CD2 3.76Å; R164-Y183 HydrophobicContact CB-CE1 3.95Å; R164-Y183 HydrophobicContact CB-CE2 3.98Å; R164-Y183 HydrophobicContact CB-CG 3.61Å; R164-Y183 HydrophobicContact CG-CD1 4.43Å; R164-Y183 HydrophobicContact CG-CE1 4.3Å; R164-Y183 PolarHBondContact NH1-OH 3.15Å; R164-Y183 VanDerWaalsContact NH1-OH 3.17Å; R164-Y185 HydrophobicContact CB-CE1 4.48Å; R164-Y185 HydrophobicContact CG-CE1 4.16Å; R164-D188 IonicContact CZ-OD2 3.78Å; R164-D188 IonicContact NH1-OD2 2.66Å; R164-D188 PolarHBondContact NH1-OD2 2.93Å |
| 165 | C | 94.1 | Very high | 93.3 | Very high | 30 Ų | 30 | 77.5 Ų | 77.5 | 20% | 0.203 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 4.1 | 168.8 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | C163 N167 | C163-C165 PolarHBondContact O-N 3.09Å; C163-C165 VanDerWaalsContact O-N 3.11Å; C165-N167 VanDerWaalsContact C-N 3.33Å; C165-N167 PolarHBondContact O-N 3.3Å |
| 166 | G | 91.9 | Very high | 93.2 | Very high | 66 Ų | 66 | 71.4 Ų | 71.4 | 68% | 0.68 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 85 | -3.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | C163 R164 | C163-G166 PolarHBondContact O-N 2.8Å; R164-G166 PolarHBondContact O-N 3.43Å |
| 167 | N | 94 | Very high | 93.2 | Very high | 48 Ų | 48 | 77.2 Ų | 77.2 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | trans | -95.9 | 153.8 | -179.8 | -76.8 | -45.7 | 0 | 0 | 0 | 112.7 | F150 C163 C165 Y169 | F150-N167 HydrophobicContact CB-CB 3.96Å; F150-N167 HydrophobicContact CD2-CB 4.35Å; F150-N167 WeakPolarHBondContact CD2-OD1 3.27Å; F150-N167 WeakPolarHBondContact CE2-OD1 3.33Å; F150-N167 HydrophobicContact CG-CB 4.05Å; C163-N167 PolarHBondContact N-O 3.5Å; C165-N167 VanDerWaalsContact C-N 3.33Å; C165-N167 PolarHBondContact O-N 3.3Å; N167-Y169 HydrophobicContact CB-CD2 4.42Å; N167-Y169 HydrophobicContact CB-CE2 3.45Å; N167-Y169 VanDerWaalsContact CB-CE2 3.45Å; N167-Y169 VanDerWaalsContact CB-OH 3.29Å; N167-Y169 WeakPolarHBondContact CB-OH 3.41Å; N167-Y169 WeakPolarHBondContact O-CD2 3.44Å; N167-Y169 WeakPolarHBondContact O-CE2 3.39Å | ||
| 168 | V | 94.7 | Very high | 93.6 | Very high | 48 Ų | 48 | 78.5 Ų | 78.5 | 29% | 0.291 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.6 | 177.1 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | C149 F150 V156 F161 E162 | C149-V168 CarbonylContact C-O 3.59Å; C149-V168 WeakPolarHBondContact CA-O 3.01Å; F150-V168 PolarHBondContact N-O 3.16Å; V156-V168 HydrophobicContact CG2-CG1 3.95Å; F161-V168 CarbonylContact O-C 3.58Å; F161-V168 WeakPolarHBondContact O-CA 3.15Å; E162-V168 HydrophobicContact CB-CG2 4.44Å |
| 169 | Y | 96.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 70.3 Ų | 70.3 | 2% | 0.02 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 157.1 | -174.9 | -59.8 | -86.6 | 0 | 0 | 0 | 112.3 | F150 M151 F161 C163 N167 H173 H179 | F150-Y169 HydrophobicContact CB-CD1 4.32Å; F150-Y169 HydrophobicContact CB-CE1 3.77Å; F150-Y169 HydrophobicContact CD1-CE1 4.31Å; M151-Y169 HydrophobicContact CG-CD1 4.34Å; M151-Y169 HydrophobicContact CG-CE1 4.01Å; F161-Y169 PolarHBondContact N-O 3.31Å; F161-Y169 PolarHBondContact O-N 2.76Å; C163-Y169 HydrophobicContact CB-CD2 3.86Å; C163-Y169 HydrophobicContact CB-CE2 3.63Å; N167-Y169 HydrophobicContact CB-CD2 4.42Å; N167-Y169 HydrophobicContact CB-CE2 3.45Å; N167-Y169 VanDerWaalsContact CB-CE2 3.45Å; N167-Y169 VanDerWaalsContact CB-OH 3.29Å; N167-Y169 WeakPolarHBondContact CB-OH 3.41Å; N167-Y169 WeakPolarHBondContact O-CD2 3.44Å; N167-Y169 WeakPolarHBondContact O-CE2 3.39Å; Y169-H173 WeakPolarHBondContact CB-O 3.36Å; Y169-H173 HydrophobicContact CD1-CB 4.03Å; Y169-H179 HydrophobicContact CD1-CB 3.99Å; Y169-H179 HydrophobicContact CE1-CB 3.4Å; Y169-H179 AromaticContact CE1-CD2 3.99Å; Y169-H179 AromaticContact CE1-CG 3.59Å; Y169-H179 AromaticContact CE2-CD2 3.82Å; Y169-H179 AromaticContact CE2-CE1 3.87Å; Y169-H179 AromaticContact CE2-CG 3.98Å; Y169-H179 AromaticContact CE2-ND1 3.99Å; Y169-H179 AromaticContact CE2-NE2 3.75Å; Y169-H179 AromaticContact CZ-CD2 3.4Å; Y169-H179 AromaticContact CZ-CG 3.48Å; Y169-H179 VanDerWaalsContact CZ-CG 3.48Å; Y169-H179 AromaticContact CZ-ND1 3.94Å; Y169-H179 AromaticContact CZ-NE2 3.85Å; Y169-H179 PolarHBondContact OH-CD2 3.46Å |
| 170 | C | 95.8 | Very high | 94 | Very high | 16 Ų | 16 | 70.4 Ų | 70.4 | 11% | 0.108 | 39% | 0.386 | C | S | . | . | trans | -80.4 | 165.4 | 168.3 | 64.7 | 0 | 0 | 0 | 0 | 110.6 | C149 C152 V156 M172 H173 R174 | C149-C170 HydrophobicContact CB-CB 4.19Å; C149-C170 PolarHBondContact SG-N 3.29Å; C149-C170 VanDerWaalsContact SG-N 3.45Å; C152-C170 VanDerWaalsContact SG-SG 3.64Å; V156-C170 HydrophobicContact CG1-CB 3.64Å; C170-M172 PolarHBondContact O-N 3.39Å; C170-H173 CarbonylContact O-C 3.58Å; C170-H173 PolarHBondContact O-N 3.15Å; C170-H173 PolarHBondContact SG-ND1 3.35Å; C170-R174 PolarHBondContact O-N 3.1Å; C170-R174 VanDerWaalsContact O-N 3.16Å | ||
| 171 | G | 93.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 70.4 Ų | 70.4 | 44% | 0.443 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -47.5 | -37.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H173 | G171-H173 VanDerWaalsContact C-N 3.35Å; G171-H173 PolarHBondContact O-N 2.87Å |
| 172 | M | 95 | Very high | 94 | Very high | 148 Ų | 148 | 72.1 Ų | 72.1 | 73% | 0.729 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -68.4 | -25.8 | 177.6 | -144.1 | 94.2 | 83.2 | 0 | 0 | 115.1 | C170 | C170-M172 PolarHBondContact O-N 3.39Š|
| 173 | H | 96.1 | Very high | 94.1 | Very high | 35 Ų | 35 | 67.2 Ų | 67.2 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -115.9 | 12.3 | -173.1 | -62.7 | 111.7 | 0 | 0 | 0 | 112.2 | M151 C152 Y169 C170 G171 Y175 H179 | M151-H173 HydrophobicContact SD-CB 3.73Å; M151-H173 PolarHBondContact SD-CD2 3.38Å; C152-H173 VanDerWaalsContact CB-CE1 3.48Å; C152-H173 WeakPolarHBondContact CB-CE1 3.28Å; C152-H173 VanDerWaalsContact SG-CE1 3.57Å; C152-H173 PolarHBondContact SG-ND1 3.07Å; C152-H173 VanDerWaalsContact SG-ND1 3.39Å; Y169-H173 WeakPolarHBondContact CB-O 3.36Å; Y169-H173 HydrophobicContact CD1-CB 4.03Å; C170-H173 CarbonylContact O-C 3.58Å; C170-H173 PolarHBondContact O-N 3.15Å; C170-H173 PolarHBondContact SG-ND1 3.35Å; G171-H173 VanDerWaalsContact C-N 3.35Å; G171-H173 PolarHBondContact O-N 2.87Å; H173-Y175 VanDerWaalsContact C-N 3.33Å; H173-Y175 PolarHBondContact O-N 3.23Å; H173-H179 PolarHBondContact O-ND1 2.84Å |
| 174 | R | 95.3 | Very high | 94.1 | Very high | 122 Ų | 122 | 71.2 Ų | 71.2 | 46% | 0.46 | 40% | 0.397 | S | S | . | . | trans | -64.5 | -35.9 | -177.4 | 176 | -177.7 | -179.7 | -171 | -2.6 | 112.8 | F161 C170 | F161-R174 HydrophobicContact CB-CB 4.24Å; F161-R174 HydrophobicContact CB-CG 3.73Å; F161-R174 HydrophobicContact CD1-CG 4.37Å; F161-R174 HydrophobicContact CD2-CB 4.18Å; F161-R174 HydrophobicContact CD2-CG 4.17Å; F161-R174 HydrophobicContact CG-CB 4.31Å; F161-R174 HydrophobicContact CG-CG 3.83Å; C170-R174 PolarHBondContact O-N 3.1Å; C170-R174 VanDerWaalsContact O-N 3.16Å | ||
| 175 | Y | 94.1 | Very high | 94.1 | Very high | 141 Ų | 141 | 68.2 Ų | 68.2 | 55% | 0.553 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -81.1 | 148.4 | -172.4 | -50.7 | -69.1 | 0 | 0 | 0 | 111.7 | H173 D177 V178 H179 | H173-Y175 VanDerWaalsContact C-N 3.33Å; H173-Y175 PolarHBondContact O-N 3.23Å; Y175-D177 VanDerWaalsContact C-N 3.31Å; Y175-D177 VanDerWaalsContact C-OD1 3.25Å; Y175-D177 WeakPolarHBondContact CB-OD1 3.37Å; Y175-D177 PolarHBondContact O-N 3.44Å; Y175-V178 PolarHBondContact O-N 2.88Å; Y175-H179 PolarHBondContact O-CE1 3.34Å; Y175-H179 PolarHBondContact O-ND1 3.16Å |
| 176 | S | 93.3 | Very high | 94.1 | Very high | 45 Ų | 45 | 75.3 Ų | 75.3 | 32% | 0.315 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -28.1 | -167.1 | -48.4 | 0 | 0 | 0 | 0 | 114.6 | S180 C181 Y185 | S176-S180 PolarHBondContact O-N 3.09Å; S176-C181 PolarHBondContact O-N 3.49Å; S176-C181 VanDerWaalsContact O-N 3.1Å; S176-Y185 WeakPolarHBondContact OG-CE2 3.46Å; S176-Y185 VanDerWaalsContact OG-CZ 3.22Å; S176-Y185 PolarHBondContact OG-OH 2.88Å |
| 177 | D | 92.3 | Very high | 94.3 | Very high | 132 Ų | 132 | 74.7 Ų | 74.7 | 71% | 0.706 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -45.1 | 173.8 | 57.7 | -29.4 | 0 | 0 | 0 | 111.7 | Y175 H179 | Y175-D177 VanDerWaalsContact C-N 3.31Å; Y175-D177 VanDerWaalsContact C-OD1 3.25Å; Y175-D177 WeakPolarHBondContact CB-OD1 3.37Å; Y175-D177 PolarHBondContact O-N 3.44Å; D177-H179 VanDerWaalsContact C-N 3.34Å; D177-H179 PolarHBondContact O-N 2.9Å |
| 178 | V | 95.4 | Very high | 94.3 | Very high | 55 Ų | 55 | 75 Ų | 75 | 33% | 0.333 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -33.8 | -175.6 | -143.5 | 0 | 0 | 0 | 0 | 112.3 | M151 Y175 | M151-V178 WeakPolarHBondContact CE-O 3.19Å; M151-V178 VanDerWaalsContact SD-O 3.35Å; Y175-V178 PolarHBondContact O-N 2.88Å |
| 179 | H | 92.5 | Very high | 94.3 | Very high | 14 Ų | 14 | 74.9 Ų | 74.9 | 7% | 0.065 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 15.3 | -172 | 69.9 | -106 | 0 | 0 | 0 | 115.9 | M151 C163 Y169 H173 Y175 D177 C181 | M151-H179 HydrophobicContact CG-CB 3.9Å; M151-H179 WeakPolarHBondContact SD-CA 3.19Å; M151-H179 HydrophobicContact SD-CB 3.32Å; M151-H179 WeakPolarHBondContact SD-CB 3.21Å; C163-H179 PolarHBondContact SG-CE1 3.18Å; C163-H179 PolarHBondContact SG-NE2 2.89Å; Y169-H179 HydrophobicContact CD1-CB 3.99Å; Y169-H179 HydrophobicContact CE1-CB 3.4Å; Y169-H179 AromaticContact CE1-CD2 3.99Å; Y169-H179 AromaticContact CE1-CG 3.59Å; Y169-H179 AromaticContact CE2-CD2 3.82Å; Y169-H179 AromaticContact CE2-CE1 3.87Å; Y169-H179 AromaticContact CE2-CG 3.98Å; Y169-H179 AromaticContact CE2-ND1 3.99Å; Y169-H179 AromaticContact CE2-NE2 3.75Å; Y169-H179 AromaticContact CZ-CD2 3.4Å; Y169-H179 AromaticContact CZ-CG 3.48Å; Y169-H179 VanDerWaalsContact CZ-CG 3.48Å; Y169-H179 AromaticContact CZ-ND1 3.94Å; Y169-H179 AromaticContact CZ-NE2 3.85Å; Y169-H179 PolarHBondContact OH-CD2 3.46Å; H173-H179 PolarHBondContact O-ND1 2.84Å; Y175-H179 PolarHBondContact O-CE1 3.34Å; Y175-H179 PolarHBondContact O-ND1 3.16Å; D177-H179 VanDerWaalsContact C-N 3.34Å; D177-H179 PolarHBondContact O-N 2.9Å; H179-C181 VanDerWaalsContact C-N 3.35Å; H179-C181 VanDerWaalsContact NE2-CB 3.34Å; H179-C181 WeakPolarHBondContact NE2-CB 3.47Å; H179-C181 PolarHBondContact NE2-SG 2.88Å; H179-C181 PolarHBondContact O-N 3.36Å |
| 180 | S | 90.1 | Very high | 94.4 | Very high | 111 Ų | 111 | 77.4 Ų | 77.4 | 78% | 0.776 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 54.5 | -179 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | S176 S182 | S176-S180 PolarHBondContact O-N 3.09Å; S180-S182 PolarHBondContact O-N 2.9Å |
| 181 | C | 94.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 82 Ų | 82 | 17% | 0.169 | 45% | 0.451 | C | S | . | . | trans | -59.2 | 120.6 | -172.8 | -166.7 | 0 | 0 | 0 | 0 | 112.1 | C163 S176 H179 Y183 Y185 | C163-C181 VanDerWaalsContact SG-SG 3.66Å; S176-C181 PolarHBondContact O-N 3.49Å; S176-C181 VanDerWaalsContact O-N 3.1Å; H179-C181 VanDerWaalsContact C-N 3.35Å; H179-C181 VanDerWaalsContact NE2-CB 3.34Å; H179-C181 WeakPolarHBondContact NE2-CB 3.47Å; H179-C181 PolarHBondContact NE2-SG 2.88Å; H179-C181 PolarHBondContact O-N 3.36Å; C181-Y183 PolarHBondContact O-N 2.9Å; C181-Y185 HydrophobicContact CB-CE2 4.13Å; C181-Y185 PolarHBondContact SG-OH 2.96Å; C181-Y185 VanDerWaalsContact SG-OH 3.38Å | ||
| 182 | S | 94.3 | Very high | 94.5 | Very high | 110 Ų | 110 | 85.1 Ų | 85.1 | 77% | 0.769 | 45% | 0.452 | S | S | * | . | trans | -72.8 | -9.1 | 177 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | S180 | S180-S182 PolarHBondContact O-N 2.9Š| ||
| 183 | Y | 95.4 | Very high | 94.5 | Very high | 65 Ų | 65 | 83.3 Ų | 83.3 | 26% | 0.255 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -80.6 | 127.5 | -178.5 | 179.3 | -87.9 | 0 | 0 | 0 | 111.5 | R164 C181 Y185 D188 | R164-Y183 HydrophobicContact CB-CD1 3.72Å; R164-Y183 HydrophobicContact CB-CD2 3.76Å; R164-Y183 HydrophobicContact CB-CE1 3.95Å; R164-Y183 HydrophobicContact CB-CE2 3.98Å; R164-Y183 HydrophobicContact CB-CG 3.61Å; R164-Y183 HydrophobicContact CG-CD1 4.43Å; R164-Y183 HydrophobicContact CG-CE1 4.3Å; R164-Y183 PolarHBondContact NH1-OH 3.15Å; R164-Y183 VanDerWaalsContact NH1-OH 3.17Å; C181-Y183 PolarHBondContact O-N 2.9Å; Y183-Y185 AromaticContact CD1-CD1 3.83Å; Y183-Y185 HydrophobicContact CD1-CD1 3.83Å; Y183-Y185 AromaticContact CD1-CD2 3.85Å; Y183-Y185 HydrophobicContact CD1-CD2 3.85Å; Y183-Y185 AromaticContact CD1-CE1 3.83Å; Y183-Y185 HydrophobicContact CD1-CE1 3.83Å; Y183-Y185 AromaticContact CD1-CE2 3.8Å; Y183-Y185 HydrophobicContact CD1-CE2 3.8Å; Y183-Y185 AromaticContact CD1-CG 3.84Å; Y183-Y185 HydrophobicContact CD1-CG 3.84Å; Y183-Y185 AromaticContact CD1-CZ 3.78Å; Y183-Y185 AromaticContact CE1-CD1 3.86Å; Y183-Y185 HydrophobicContact CE1-CD1 3.86Å; Y183-Y185 HydrophobicContact CE1-CE1 4.1Å; Y183-Y185 HydrophobicContact CE1-CG 4.1Å; Y183-Y185 WeakPolarHBondContact O-CD2 3.34Å; Y183-Y185 WeakPolarHBondContact O-CE2 3.3Å; Y183-Y185 PolarHBondContact O-N 3.09Å; Y183-Y185 VanDerWaalsContact O-N 3.1Å; Y183-D188 HydrophobicContact CE1-CB 4.19Å; Y183-D188 VanDerWaalsContact OH-CB 3.3Å; Y183-D188 WeakPolarHBondContact OH-CB 3.32Å; Y183-D188 PolarHBondContact OH-OD1 3.43Å |
| 184 | N | 94.7 | Very high | 94.4 | Very high | 102 Ų | 102 | 90.2 Ų | 90.2 | 55% | 0.545 | 47% | 0.469 | S | S | . | . | trans | -86.3 | 83.4 | -175.8 | -165.2 | -24.5 | 0 | 0 | 0 | 112.3 | K186 A187 D188 | N184-K186 PolarHBondContact O-N 3.43Å; N184-K186 VanDerWaalsContact O-N 3.17Å; N184-K186 PolarHBondContact OD1-N 3.01Å; N184-A187 HydrophobicContact CB-CB 4.28Å; N184-A187 PolarHBondContact O-N 3.3Å; N184-A187 PolarHBondContact OD1-N 2.95Å; N184-D188 PolarHBondContact O-N 2.99Å | ||
| 185 | Y | 92.7 | Very high | 94.4 | Very high | 71 Ų | 71 | 93.2 Ų | 93.2 | 28% | 0.278 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.3 | -28.8 | 177.8 | -63 | -90.9 | 0 | 0 | 0 | 114.3 | C163 R164 S176 C181 Y183 A189 | C163-Y185 PolarHBondContact SG-OH 2.69Å; R164-Y185 HydrophobicContact CB-CE1 4.48Å; R164-Y185 HydrophobicContact CG-CE1 4.16Å; S176-Y185 WeakPolarHBondContact OG-CE2 3.46Å; S176-Y185 VanDerWaalsContact OG-CZ 3.22Å; S176-Y185 PolarHBondContact OG-OH 2.88Å; C181-Y185 HydrophobicContact CB-CE2 4.13Å; C181-Y185 PolarHBondContact SG-OH 2.96Å; C181-Y185 VanDerWaalsContact SG-OH 3.38Å; Y183-Y185 AromaticContact CD1-CD1 3.83Å; Y183-Y185 HydrophobicContact CD1-CD1 3.83Å; Y183-Y185 AromaticContact CD1-CD2 3.85Å; Y183-Y185 HydrophobicContact CD1-CD2 3.85Å; Y183-Y185 AromaticContact CD1-CE1 3.83Å; Y183-Y185 HydrophobicContact CD1-CE1 3.83Å; Y183-Y185 AromaticContact CD1-CE2 3.8Å; Y183-Y185 HydrophobicContact CD1-CE2 3.8Å; Y183-Y185 AromaticContact CD1-CG 3.84Å; Y183-Y185 HydrophobicContact CD1-CG 3.84Å; Y183-Y185 AromaticContact CD1-CZ 3.78Å; Y183-Y185 AromaticContact CE1-CD1 3.86Å; Y183-Y185 HydrophobicContact CE1-CD1 3.86Å; Y183-Y185 HydrophobicContact CE1-CE1 4.1Å; Y183-Y185 HydrophobicContact CE1-CG 4.1Å; Y183-Y185 WeakPolarHBondContact O-CD2 3.34Å; Y183-Y185 WeakPolarHBondContact O-CE2 3.3Å; Y183-Y185 PolarHBondContact O-N 3.09Å; Y183-Y185 VanDerWaalsContact O-N 3.1Å; Y185-A189 VanDerWaalsContact O-CB 3.27Å; Y185-A189 WeakPolarHBondContact O-CB 3.48Å; Y185-A189 PolarHBondContact O-N 3.32Å |
| 186 | K | 94.1 | Very high | 94.5 | Very high | 179 Ų | 179 | 92.9 Ų | 92.9 | 78% | 0.778 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -70.7 | -42.1 | -179.4 | -66.2 | -177.5 | 177.7 | -179 | 0 | 111.3 | N184 A190 | N184-K186 PolarHBondContact O-N 3.43Å; N184-K186 VanDerWaalsContact O-N 3.17Å; N184-K186 PolarHBondContact OD1-N 3.01Å; K186-A190 VanDerWaalsContact O-CB 3.28Å; K186-A190 WeakPolarHBondContact O-CB 3.39Å; K186-A190 PolarHBondContact O-N 3.32Å |
| 187 | A | 95.9 | Very high | 94.6 | Very high | 54 Ų | 54 | 96 Ų | 96 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N184 A189 A190 E191 | N184-A187 HydrophobicContact CB-CB 4.28Å; N184-A187 PolarHBondContact O-N 3.3Å; N184-A187 PolarHBondContact OD1-N 2.95Å; A187-A189 PolarHBondContact O-N 2.94Å; A187-A190 PolarHBondContact O-N 3.39Å; A187-E191 WeakPolarHBondContact O-CB 3.36Å; A187-E191 PolarHBondContact O-N 2.82Å |
| 188 | D | 94.5 | Very high | 94.4 | Very high | 53 Ų | 53 | 94.2 Ų | 94.2 | 28% | 0.283 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -45.5 | 176.5 | 174.2 | 81.4 | 0 | 0 | 0 | 112.5 | R164 Y183 N184 E191 K192 | R164-D188 IonicContact CZ-OD2 3.78Å; R164-D188 IonicContact NH1-OD2 2.66Å; R164-D188 PolarHBondContact NH1-OD2 2.93Å; Y183-D188 HydrophobicContact CE1-CB 4.19Å; Y183-D188 VanDerWaalsContact OH-CB 3.3Å; Y183-D188 WeakPolarHBondContact OH-CB 3.32Å; Y183-D188 PolarHBondContact OH-OD1 3.43Å; N184-D188 PolarHBondContact O-N 2.99Å; D188-E191 PolarHBondContact O-N 3.49Å; D188-K192 WeakPolarHBondContact O-CB 3.36Å; D188-K192 PolarHBondContact O-N 2.86Å |
| 189 | A | 95.3 | Very high | 94 | Very high | 46 Ų | 46 | 98 Ų | 98 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y185 A187 K192 I193 | Y185-A189 VanDerWaalsContact O-CB 3.27Å; Y185-A189 WeakPolarHBondContact O-CB 3.48Å; Y185-A189 PolarHBondContact O-N 3.32Å; A187-A189 PolarHBondContact O-N 2.94Å; A189-K192 PolarHBondContact O-N 2.93Å; A189-I193 VanDerWaalsContact O-CG1 3.28Å; A189-I193 WeakPolarHBondContact O-CG1 3.24Å; A189-I193 PolarHBondContact O-N 3.04Å |
| 190 | A | 96.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 103.6 Ų | 103.6 | 49% | 0.488 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.6 | -40.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K186 A187 I193 R194 | K186-A190 VanDerWaalsContact O-CB 3.28Å; K186-A190 WeakPolarHBondContact O-CB 3.39Å; K186-A190 PolarHBondContact O-N 3.32Å; A187-A190 PolarHBondContact O-N 3.39Å; A190-I193 PolarHBondContact O-N 3.44Å; A190-R194 WeakPolarHBondContact O-CB 3.41Å; A190-R194 PolarHBondContact O-N 3.34Å |
| 191 | E | 95.8 | Very high | 93.6 | Very high | 113 Ų | 113 | 104.4 Ų | 104.4 | 53% | 0.528 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.5 | -41.9 | 174.8 | 175.1 | 148.3 | -118.1 | 0 | 0 | 112 | A187 D188 R194 K195 | A187-E191 WeakPolarHBondContact O-CB 3.36Å; A187-E191 PolarHBondContact O-N 2.82Å; D188-E191 PolarHBondContact O-N 3.49Å; E191-R194 PolarHBondContact O-N 3.27Å; E191-R194 IonicContact OE1-CZ 3.95Å; E191-R194 IonicContact OE1-NH2 2.71Å; E191-R194 PolarHBondContact OE1-NH2 3.18Å; E191-K195 WeakPolarHBondContact O-CB 3.36Å; E191-K195 PolarHBondContact O-N 3.23Å |
| 192 | K | 95.9 | Very high | 93.2 | Very high | 107 Ų | 107 | 106.1 Ų | 106.1 | 47% | 0.465 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.1 | -49.1 | 174.3 | -178 | 166.7 | -69.2 | -169.9 | 0 | 112 | D188 A189 R194 K195 E196 | D188-K192 WeakPolarHBondContact O-CB 3.36Å; D188-K192 PolarHBondContact O-N 2.86Å; A189-K192 PolarHBondContact O-N 2.93Å; K192-R194 VanDerWaalsContact C-N 3.31Å; K192-R194 PolarHBondContact O-N 2.93Å; K192-K195 PolarHBondContact O-N 2.84Å; K192-K195 VanDerWaalsContact O-N 3.08Å; K192-E196 WeakPolarHBondContact CD-OE1 3.23Å; K192-E196 VanDerWaalsContact CG-CD 3.45Å; K192-E196 HydrophobicContact CG-CG 4.3Å; K192-E196 WeakPolarHBondContact CG-OE1 3.39Å; K192-E196 WeakPolarHBondContact O-CB 3.47Å; K192-E196 WeakPolarHBondContact O-CG 3.35Å; K192-E196 PolarHBondContact O-N 3.05Å |
| 193 | I | 95.4 | Very high | 92.9 | Very high | 111 Ų | 111 | 110.1 Ų | 110.1 | 57% | 0.569 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.1 | -43.1 | 176.6 | -68.5 | 164.2 | 0 | 0 | 0 | 110.8 | A189 A190 K195 E196 N197 | A189-I193 VanDerWaalsContact O-CG1 3.28Å; A189-I193 WeakPolarHBondContact O-CG1 3.24Å; A189-I193 PolarHBondContact O-N 3.04Å; A190-I193 PolarHBondContact O-N 3.44Å; I193-K195 VanDerWaalsContact C-N 3.28Å; I193-K195 PolarHBondContact O-N 3.26Å; I193-E196 PolarHBondContact O-N 3.2Å; I193-N197 WeakPolarHBondContact O-CB 3.33Å; I193-N197 PolarHBondContact O-N 3Å |
| 194 | R | 94 | Very high | 92.4 | Very high | 179 Ų | 179 | 116.6 Ų | 116.6 | 68% | 0.675 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -60.8 | -34.9 | 176.1 | 179.2 | -179.7 | 64.6 | -170.9 | -0.2 | 112.8 | A190 E191 K192 | A190-R194 WeakPolarHBondContact O-CB 3.41Å; A190-R194 PolarHBondContact O-N 3.34Å; E191-R194 PolarHBondContact O-N 3.27Å; E191-R194 IonicContact OE1-CZ 3.95Å; E191-R194 IonicContact OE1-NH2 2.71Å; E191-R194 PolarHBondContact OE1-NH2 3.18Å; K192-R194 VanDerWaalsContact C-N 3.31Å; K192-R194 PolarHBondContact O-N 2.93Å |
| 195 | K | 95.4 | Very high | 91.8 | Very high | 185 Ų | 185 | 119.4 Ų | 119.4 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.9 | -33.2 | 177.9 | -173.2 | 177.6 | -179.8 | 179.4 | 0 | 112.8 | E191 K192 I193 | E191-K195 WeakPolarHBondContact O-CB 3.36Å; E191-K195 PolarHBondContact O-N 3.23Å; K192-K195 PolarHBondContact O-N 2.84Å; K192-K195 VanDerWaalsContact O-N 3.08Å; I193-K195 VanDerWaalsContact C-N 3.28Å; I193-K195 PolarHBondContact O-N 3.26Å |
| 196 | E | 95.9 | Very high | 91 | Very high | 135 Ų | 135 | 124.4 Ų | 124.4 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -92.3 | -20.5 | -174.5 | -70.6 | 172.7 | -172.9 | 0 | 0 | 113.6 | K192 I193 P198 | K192-E196 WeakPolarHBondContact CD-OE1 3.23Å; K192-E196 VanDerWaalsContact CG-CD 3.45Å; K192-E196 HydrophobicContact CG-CG 4.3Å; K192-E196 WeakPolarHBondContact CG-OE1 3.39Å; K192-E196 WeakPolarHBondContact O-CB 3.47Å; K192-E196 WeakPolarHBondContact O-CG 3.35Å; K192-E196 PolarHBondContact O-N 3.05Å; I193-E196 PolarHBondContact O-N 3.2Å; E196-P198 VanDerWaalsContact O-CD 3.25Å; E196-P198 WeakPolarHBondContact O-CD 3.37Å |
| 197 | N | 94.8 | Very high | 90.3 | Very high | 111 Ų | 111 | 125.7 Ų | 125.7 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -77 | 110.9 | 179.6 | -171.3 | 17.4 | 0 | 0 | 0 | 111.4 | I193 | I193-N197 WeakPolarHBondContact O-CB 3.33Å; I193-N197 PolarHBondContact O-N 3Å |
| 198 | P | 89.4 | Confident | 89.3 | Confident | 94 Ų | 94 | 134.1 Ų | 134.1 | 61% | 0.61 | 69% | 0.693 | S | S | * | * | trans | -70 | 140.2 | 179.1 | 30.9 | -35 | 0 | 0 | 0 | 110.8 | E196 V200 | E196-P198 VanDerWaalsContact O-CD 3.25Å; E196-P198 WeakPolarHBondContact O-CD 3.37Å; P198-V200 PolarHBondContact O-N 3.46Å | ||
| 199 | V | 86.1 | Confident | 89.1 | Confident | 134 Ų | 134 | 138.2 Ų | 138.2 | 81% | 0.812 | 71% | 0.713 | S | S | * | * | trans | -74.9 | 102.2 | 179.1 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | V201 | V199-V201 HydrophobicContact CG1-CG2 3.89Å; V199-V201 PolarHBondContact O-N 3.18Å | ||
| 200 | V | 88.5 | Confident | 88.7 | Confident | 132 Ų | 132 | 143 Ų | 143 | 80% | 0.8 | 73% | 0.731 | S | S | * | * | trans | -83.6 | 102.4 | 175 | -177 | 0 | 0 | 0 | 0 | 109.4 | P198 | P198-V200 PolarHBondContact O-N 3.46Š| ||
| 201 | V | 86.8 | Confident | 88.3 | Confident | 127 Ų | 127 | 147.7 Ų | 147.7 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -105.6 | 111.4 | 168.6 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | V199 | V199-V201 HydrophobicContact CG1-CG2 3.89Å; V199-V201 PolarHBondContact O-N 3.18Å | ||
| 202 | G | 86.5 | Confident | 87.8 | Confident | 62 Ų | 62 | 149.7 Ų | 149.7 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | trans | -83 | 145.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 203 | E | 87.1 | Confident | 87.3 | Confident | 194 Ų | 194 | 152.4 Ų | 152.4 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | trans | -62.7 | 138.7 | 172.2 | -68 | -173.4 | 161.8 | 0 | 0 | 110.9 | I205 | E203-I205 PolarHBondContact O-N 3.43Š| ||
| 204 | K | 85.7 | Confident | 86.8 | Confident | 201 Ų | 201 | 155.1 Ų | 155.1 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -74 | 111.5 | -179.6 | -173 | 175 | -179.3 | 179.2 | 0 | 109.4 | Q206 | K204-Q206 PolarHBondContact O-N 2.99Š| ||
| 205 | I | 82.1 | Confident | 86.3 | Confident | 161 Ų | 161 | 153.4 Ų | 153.4 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 128.4 | 179.9 | -42.5 | 174.8 | 0 | 0 | 0 | 109.8 | E203 | E203-I205 PolarHBondContact O-N 3.43Š|
| 206 | Q | 75.4 | Confident | 85.6 | Confident | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 137.6 | 176.1 | -64.2 | -174.6 | 13.7 | 0 | 0 | 109.9 | K204 I208 | K204-Q206 PolarHBondContact O-N 2.99Å; Q206-I208 PolarHBondContact O-N 2.9Å |
| 207 | K | 78.6 | Confident | 84.7 | Confident | 206 Ų | 206 | 152.3 Ų | 152.3 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 119.1 | -179.5 | -171.9 | 178.5 | 179.3 | -175 | 0 | 109.2 | ||
| 208 | I | 75.8 | Confident | 83.8 | Confident | 230 Ų | 230 | 156.1 Ų | 156.1 | 100% | 1.179 | 83% | 0.83 | S | S | * | * | trans | -75.7 | 0 | 171.3 | -21.9 | 176.8 | 0 | 0 | 0 | 110 | Q206 | Q206-I208 PolarHBondContact O-N 2.9Š|
Retrieved 208 of 208 residues in 47.8 ms
(Link to these results)