| 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 | 44.1 | Very low | 77.9 | Confident | 221 Ų | 221 | 110.9 Ų | 110.9 | 100% | 1.089 | 60% | 0.598 | S | S | * | * | 0 | 86.1 | 0 | -78 | -172.6 | 171 | 0 | 0 | 108.7 | G3 | M1-G3 VanDerWaalsContact C-N 3.26Å; M1-G3 PolarHBondContact O-N 3.07Å | |||
| 2 | N | 55.6 | Low | 79.1 | Confident | 174 Ų | 174 | 106.6 Ų | 106.6 | 93% | 0.93 | 57% | 0.574 | S | S | * | * | trans | -93.7 | 58.2 | -178.5 | -68.4 | 66.3 | 0 | 0 | 0 | 110.3 | ||||
| 3 | G | 65.9 | Low | 80.2 | Confident | 56 Ų | 56 | 113.3 Ų | 113.3 | 58% | 0.577 | 60% | 0.6 | S | S | * | * | trans | -72 | 146.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | M1 V5 | M1-G3 VanDerWaalsContact C-N 3.26Å; M1-G3 PolarHBondContact O-N 3.07Å; G3-V5 PolarHBondContact O-N 3.17Å; G3-V5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | F | 72.5 | Confident | 81 | Confident | 124 Ų | 124 | 113.9 Ų | 113.9 | 54% | 0.544 | 60% | 0.603 | S | S | . | * | trans | -58 | 113.6 | 170.5 | -175.5 | -95.4 | 0 | 0 | 0 | 109 | R6 P46 | F4-R6 PolarHBondContact O-N 3.27Å; F4-P46 HydrophobicContact CD2-CG 4.12Å; F4-P46 HydrophobicContact CE2-CG 3.74Å; F4-P46 HydrophobicContact CZ-CG 4.14Å | ||
| 5 | V | 80.1 | Confident | 81.6 | Confident | 125 Ų | 125 | 108.4 Ų | 108.4 | 76% | 0.758 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 117.3 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | G3 | G3-V5 PolarHBondContact O-N 3.17Å; G3-V5 VanDerWaalsContact O-N 3.08Å |
| 6 | R | 85.1 | Confident | 82.3 | Confident | 34 Ų | 34 | 104.1 Ų | 104.1 | 13% | 0.128 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -71.1 | 143.8 | 172.1 | -65.4 | -158.8 | -179.3 | -42.5 | -42.1 | 110.5 | F4 G8 V9 Y39 E44 | F4-R6 PolarHBondContact O-N 3.27Å; R6-G8 PolarHBondContact O-N 3.29Å; R6-V9 HydrophobicContact CB-CB 3.94Å; R6-V9 HydrophobicContact CB-CG2 3.77Å; R6-V9 HydrophobicContact CG-CG2 4.45Å; R6-Y39 PolarHBondContact NE-O 3.31Å; R6-Y39 VanDerWaalsContact NH2-C 3.26Å; R6-Y39 PolarHBondContact NH2-O 3.12Å; R6-E44 WeakPolarHBondContact CD-OE2 3.46Å; R6-E44 VanDerWaalsContact CG-OE2 3.24Å; R6-E44 WeakPolarHBondContact CG-OE2 3.3Å; R6-E44 IonicContact CZ-OE2 3.57Å; R6-E44 IonicContact NE-OE2 3.68Å; R6-E44 IonicContact NH1-OE2 2.7Å; R6-E44 PolarHBondContact NH1-OE2 3.3Å |
| 7 | Q | 86.5 | Confident | 82.9 | Confident | 178 Ų | 178 | 100.1 Ų | 100.1 | 83% | 0.832 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 130.3 | 169.8 | -167 | 170.2 | 5.3 | 0 | 0 | 109.3 | V9 | Q7-V9 VanDerWaalsContact C-N 3.31Å; Q7-V9 PolarHBondContact O-N 2.93Å |
| 8 | G | 89.7 | Confident | 83.5 | Confident | 48 Ų | 48 | 96.1 Ų | 96.1 | 50% | 0.495 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 2.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | R6 P20 | R6-G8 PolarHBondContact O-N 3.29Å; G8-P20 WeakPolarHBondContact O-CD 3.45Å |
| 9 | V | 92.6 | Very high | 84.1 | Confident | 22 Ų | 22 | 95.1 Ų | 95.1 | 13% | 0.133 | 51% | 0.511 | C | S | . | . | trans | -109.4 | 127.7 | 173.1 | -173 | 0 | 0 | 0 | 0 | 109.8 | R6 Q7 L17 I18 I19 V35 | R6-V9 HydrophobicContact CB-CB 3.94Å; R6-V9 HydrophobicContact CB-CG2 3.77Å; R6-V9 HydrophobicContact CG-CG2 4.45Å; Q7-V9 VanDerWaalsContact C-N 3.31Å; Q7-V9 PolarHBondContact O-N 2.93Å; V9-L17 HydrophobicContact CG1-CB 3.84Å; V9-L17 HydrophobicContact CG1-CD2 4.02Å; V9-L17 HydrophobicContact CG1-CG 4.47Å; V9-I18 CarbonylContact C-O 3.55Å; V9-I18 WeakPolarHBondContact CA-O 3.39Å; V9-I18 WeakPolarHBondContact CG1-O 3.4Å; V9-I19 HydrophobicContact CG2-CG1 4.29Å; V9-V35 HydrophobicContact CG1-CB 4.26Å; V9-V35 HydrophobicContact CG1-CG2 4.05Å; V9-V35 HydrophobicContact CG2-CG2 4.2Å | ||
| 10 | V | 92.4 | Very high | 84.7 | Confident | 83 Ų | 83 | 92.9 Ų | 92.9 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 154.2 | -177.6 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | I18 | V10-I18 PolarHBondContact N-O 2.98Å; V10-I18 WeakPolarHBondContact O-CG1 3.47Å; V10-I18 PolarHBondContact O-N 3.49Å |
| 11 | R | 92 | Very high | 85.2 | Confident | 155 Ų | 155 | 91.5 Ų | 91.5 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 126.7 | 170.6 | -73.1 | 179.9 | 178.9 | -108.7 | 2.6 | 109.6 | N16 L17 | R11-N16 WeakPolarHBondContact CA-O 3.43Å; R11-L17 HydrophobicContact CG-CD2 3.64Å; R11-L17 HydrophobicContact CG-CG 4.5Å |
| 12 | D | 92.2 | Very high | 87.8 | Confident | 59 Ų | 59 | 84.1 Ų | 84.1 | 32% | 0.316 | 47% | 0.466 | S | S | . | . | trans | -74.2 | 168.9 | 173.8 | -172.1 | 31.5 | 0 | 0 | 0 | 111.9 | N14 G15 N16 I18 | D12-N14 PolarHBondContact O-N 2.95Å; D12-N14 PolarHBondContact OD2-ND2 2.88Å; D12-G15 WeakPolarHBondContact O-CA 3.47Å; D12-G15 PolarHBondContact O-N 3.32Å; D12-N16 PolarHBondContact N-O 3.32Å; D12-I18 HydrophobicContact CB-CD1 3.95Å; D12-I18 HydrophobicContact CB-CG1 4.2Å; D12-I18 HydrophobicContact CB-CG2 4.26Å | ||
| 13 | E | 93.6 | Very high | 89.8 | Confident | 194 Ų | 194 | 81.1 Ų | 81.1 | 91% | 0.907 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -32.9 | 175.4 | -62.2 | 179.1 | 176.2 | 0 | 0 | 112.1 | G15 | E13-G15 PolarHBondContact O-N 3.2Š|
| 14 | N | 91.9 | Very high | 91.3 | Very high | 121 Ų | 121 | 83 Ų | 83 | 65% | 0.647 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 2.4 | 176.1 | -59.8 | -59.3 | 0 | 0 | 0 | 113.8 | D12 N16 | D12-N14 PolarHBondContact O-N 2.95Å; D12-N14 PolarHBondContact OD2-ND2 2.88Å; N14-N16 VanDerWaalsContact C-N 3.26Å; N14-N16 WeakPolarHBondContact CB-ND2 3.36Å; N14-N16 PolarHBondContact O-N 3.17Å |
| 15 | G | 90.6 | Very high | 92.5 | Very high | 32 Ų | 32 | 83.7 Ų | 83.7 | 33% | 0.33 | 45% | 0.452 | S | S | . | . | S | Bend | trans | 80.9 | -3.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D12 E13 | D12-G15 WeakPolarHBondContact O-CA 3.47Å; D12-G15 PolarHBondContact O-N 3.32Å; E13-G15 PolarHBondContact O-N 3.2Å |
| 16 | N | 91.7 | Very high | 93.3 | Very high | 39 Ų | 39 | 83.2 Ų | 83.2 | 21% | 0.209 | 45% | 0.445 | C | S | . | . | trans | -77.4 | 142.5 | -176.3 | -59.8 | -53.3 | 0 | 0 | 0 | 112 | R11 D12 N14 R34 | R11-N16 WeakPolarHBondContact CA-O 3.43Å; D12-N16 PolarHBondContact N-O 3.32Å; N14-N16 VanDerWaalsContact C-N 3.26Å; N14-N16 WeakPolarHBondContact CB-ND2 3.36Å; N14-N16 PolarHBondContact O-N 3.17Å; N16-R34 PolarHBondContact ND2-NH1 3.45Å; N16-R34 PolarHBondContact OD1-NH1 3.06Å; N16-R34 PolarHBondContact OD1-NH2 3.44Å | ||
| 17 | L | 92.7 | Very high | 93.8 | Very high | 36 Ų | 36 | 83.1 Ų | 83.1 | 19% | 0.188 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 124.6 | 171.3 | -69.9 | 168.8 | 0 | 0 | 0 | 110 | V9 R11 V35 E37 | V9-L17 HydrophobicContact CG1-CB 3.84Å; V9-L17 HydrophobicContact CG1-CD2 4.02Å; V9-L17 HydrophobicContact CG1-CG 4.47Å; R11-L17 HydrophobicContact CG-CD2 3.64Å; R11-L17 HydrophobicContact CG-CG 4.5Å; L17-V35 HydrophobicContact CB-CB 4.19Å; L17-V35 PolarHBondContact O-N 3.25Å; L17-E37 HydrophobicContact CD1-CG 4.25Å |
| 18 | I | 94.5 | Very high | 94.4 | Very high | 29 Ų | 29 | 77.6 Ų | 77.6 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.6 | -178.9 | 63.7 | 164.4 | 0 | 0 | 0 | 111.7 | V9 V10 D12 A32 V33 | V9-I18 CarbonylContact C-O 3.55Å; V9-I18 WeakPolarHBondContact CA-O 3.39Å; V9-I18 WeakPolarHBondContact CG1-O 3.4Å; V10-I18 PolarHBondContact N-O 2.98Å; V10-I18 WeakPolarHBondContact O-CG1 3.47Å; V10-I18 PolarHBondContact O-N 3.49Å; D12-I18 HydrophobicContact CB-CD1 3.95Å; D12-I18 HydrophobicContact CB-CG1 4.2Å; D12-I18 HydrophobicContact CB-CG2 4.26Å; I18-A32 HydrophobicContact CD1-CB 4.21Å; I18-V33 CarbonylContact C-O 3.49Å; I18-V33 VanDerWaalsContact CA-O 3.28Å; I18-V33 WeakPolarHBondContact CA-O 3.47Å |
| 19 | I | 94 | Very high | 94.7 | Very high | 77 Ų | 77 | 82.9 Ų | 82.9 | 40% | 0.395 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.1 | 159 | -60.1 | 171.1 | 0 | 0 | 0 | 106.2 | V9 A32 V33 V35 | V9-I19 HydrophobicContact CG2-CG1 4.29Å; I19-A32 VanDerWaalsContact O-CA 3.31Å; I19-A32 WeakPolarHBondContact O-CA 3.41Å; I19-V33 HydrophobicContact CB-CB 4.3Å; I19-V33 PolarHBondContact N-O 3.49Å; I19-V33 PolarHBondContact O-N 3.41Å; I19-V35 HydrophobicContact CD1-CG2 4.17Å; I19-V35 HydrophobicContact CG1-CG2 3.76Å |
| 20 | P | 95.8 | Very high | 95 | Very high | 51 Ų | 51 | 87 Ų | 87 | 33% | 0.331 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -64 | 155.1 | -175.4 | 27.2 | -33.8 | 0 | 0 | 0 | 111.4 | G8 | G8-P20 WeakPolarHBondContact O-CD 3.45Š|
| 21 | P | 96.3 | Very high | 95.2 | Very high | 64 Ų | 64 | 91.8 Ų | 91.8 | 42% | 0.416 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 142.2 | 176.8 | 28.9 | -34.4 | 0 | 0 | 0 | 110.5 | W29 R30 | P21-W29 HydrophobicContact CB-CE3 4.21Å; P21-R30 WeakPolarHBondContact CA-O 3.47Å; P21-R30 WeakPolarHBondContact CB-O 3.49Å |
| 22 | T | 97.2 | Very high | 95.4 | Very high | 66 Ų | 66 | 86.5 Ų | 86.5 | 41% | 0.405 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 142.3 | -180 | 58.8 | 0 | 0 | 0 | 0 | 110.8 | R30 | T22-R30 PolarHBondContact N-O 3.23Å; T22-R30 WeakPolarHBondContact O-CB 3.46Å; T22-R30 PolarHBondContact O-N 3.02Å; T22-R30 WeakPolarHBondContact OG1-CD 3.46Å; T22-R30 PolarHBondContact OG1-NH1 3.04Å |
| 23 | Q | 97.7 | Very high | 95.5 | Very high | 111 Ų | 111 | 87.4 Ų | 87.4 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 139.3 | 177.2 | -157.2 | 176 | 22.7 | 0 | 0 | 110.8 | G27 W29 R30 | Q23-G27 PolarHBondContact NE2-O 3.43Å; Q23-G27 VanDerWaalsContact NE2-O 3.14Å; Q23-W29 HydrophobicContact CB-CD2 4.37Å; Q23-W29 HydrophobicContact CB-CE3 4.35Å; Q23-W29 HydrophobicContact CB-CH2 4.42Å; Q23-W29 HydrophobicContact CB-CZ2 4.41Å; Q23-W29 HydrophobicContact CB-CZ3 4.39Å; Q23-W29 HydrophobicContact CG-CD2 4.41Å; Q23-W29 HydrophobicContact CG-CZ2 4.41Å; Q23-R30 PolarHBondContact O-NH1 2.73Å |
| 24 | R | 97.3 | Very high | 95.6 | Very high | 96 Ų | 96 | 85.4 Ų | 85.4 | 36% | 0.362 | 45% | 0.447 | S | S | . | . | trans | -82.7 | 160 | 169.7 | -64.6 | -165.3 | -167 | 74.9 | 1.9 | 109.6 | D26 G27 T28 W29 R30 | R24-D26 WeakPolarHBondContact CB-OD1 3.02Å; R24-D26 PolarHBondContact O-N 2.83Å; R24-G27 PolarHBondContact O-N 3.11Å; R24-T28 VanDerWaalsContact CB-O 3.31Å; R24-T28 WeakPolarHBondContact CB-O 3.44Å; R24-T28 VanDerWaalsContact CD-OG1 3.28Å; R24-T28 WeakPolarHBondContact CD-OG1 3.02Å; R24-T28 WeakPolarHBondContact CG-O 3.49Å; R24-T28 PolarHBondContact N-O 2.88Å; R24-T28 PolarHBondContact NH1-OG1 2.98Å; R24-W29 VanDerWaalsContact NH1-C 3.32Å; R24-W29 PolarHBondContact NH1-O 3.33Å; R24-R30 HydrophobicContact CG-CG 3.87Å | ||
| 25 | P | 98 | Very high | 95.6 | Very high | 137 Ų | 137 | 80.5 Ų | 80.5 | 89% | 0.89 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.7 | 177.4 | -25.4 | 35.5 | 0 | 0 | 0 | 115 | G27 | P25-G27 PolarHBondContact O-N 3.25Š|
| 26 | D | 96.7 | Very high | 95.7 | Very high | 115 Ų | 115 | 86.9 Ų | 86.9 | 62% | 0.615 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 0.2 | 174.2 | 66.2 | -3.8 | 0 | 0 | 0 | 113.5 | R24 T28 | R24-D26 WeakPolarHBondContact CB-OD1 3.02Å; R24-D26 PolarHBondContact O-N 2.83Å; D26-T28 WeakPolarHBondContact OD1-CB 3.43Å; D26-T28 PolarHBondContact OD1-N 2.71Å; D26-T28 PolarHBondContact OD1-OG1 3.44Å; D26-T28 PolarHBondContact OD2-OG1 3.08Å |
| 27 | G | 97.2 | Very high | 95.6 | Very high | 32 Ų | 32 | 90.6 Ų | 90.6 | 33% | 0.33 | 46% | 0.456 | S | S | . | . | S | Bend | trans | 89.2 | -12.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q23 R24 P25 | Q23-G27 PolarHBondContact NE2-O 3.43Å; Q23-G27 VanDerWaalsContact NE2-O 3.14Å; R24-G27 PolarHBondContact O-N 3.11Å; P25-G27 PolarHBondContact O-N 3.25Å |
| 28 | T | 97.4 | Very high | 95.3 | Very high | 62 Ų | 62 | 92.1 Ų | 92.1 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 152.2 | 178.3 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | R24 D26 | R24-T28 VanDerWaalsContact CB-O 3.31Å; R24-T28 WeakPolarHBondContact CB-O 3.44Å; R24-T28 VanDerWaalsContact CD-OG1 3.28Å; R24-T28 WeakPolarHBondContact CD-OG1 3.02Å; R24-T28 WeakPolarHBondContact CG-O 3.49Å; R24-T28 PolarHBondContact N-O 2.88Å; R24-T28 PolarHBondContact NH1-OG1 2.98Å; D26-T28 WeakPolarHBondContact OD1-CB 3.43Å; D26-T28 PolarHBondContact OD1-N 2.71Å; D26-T28 PolarHBondContact OD1-OG1 3.44Å; D26-T28 PolarHBondContact OD2-OG1 3.08Å |
| 29 | W | 97.2 | Very high | 95 | Very high | 159 Ų | 159 | 97.3 Ų | 97.3 | 60% | 0.602 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 139.3 | -177.6 | -70.9 | 81.7 | 0 | 0 | 0 | 112.5 | P21 Q23 R24 | P21-W29 HydrophobicContact CB-CE3 4.21Å; Q23-W29 HydrophobicContact CB-CD2 4.37Å; Q23-W29 HydrophobicContact CB-CE3 4.35Å; Q23-W29 HydrophobicContact CB-CH2 4.42Å; Q23-W29 HydrophobicContact CB-CZ2 4.41Å; Q23-W29 HydrophobicContact CB-CZ3 4.39Å; Q23-W29 HydrophobicContact CG-CD2 4.41Å; Q23-W29 HydrophobicContact CG-CZ2 4.41Å; R24-W29 VanDerWaalsContact NH1-C 3.32Å; R24-W29 PolarHBondContact NH1-O 3.33Å |
| 30 | R | 97.5 | Very high | 94.7 | Very high | 108 Ų | 108 | 97.1 Ų | 97.1 | 41% | 0.408 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.6 | 163.7 | -60.3 | -170.8 | -175.2 | 78.8 | -0.9 | 108.3 | P21 T22 Q23 R24 | P21-R30 WeakPolarHBondContact CA-O 3.47Å; P21-R30 WeakPolarHBondContact CB-O 3.49Å; T22-R30 PolarHBondContact N-O 3.23Å; T22-R30 WeakPolarHBondContact O-CB 3.46Å; T22-R30 PolarHBondContact O-N 3.02Å; T22-R30 WeakPolarHBondContact OG1-CD 3.46Å; T22-R30 PolarHBondContact OG1-NH1 3.04Å; Q23-R30 PolarHBondContact O-NH1 2.73Å; R24-R30 HydrophobicContact CG-CG 3.87Å |
| 31 | K | 97.1 | Very high | 94.5 | Very high | 184 Ų | 184 | 96.5 Ų | 96.5 | 80% | 0.8 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 153.2 | 176.1 | 64.1 | 179.3 | -179 | -179.3 | 0 | 111.7 | ||
| 32 | A | 95.9 | Very high | 94.1 | Very high | 44 Ų | 44 | 100.8 Ų | 100.8 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 148.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I18 I19 | I18-A32 HydrophobicContact CD1-CB 4.21Å; I19-A32 VanDerWaalsContact O-CA 3.31Å; I19-A32 WeakPolarHBondContact O-CA 3.41Å |
| 33 | V | 95.5 | Very high | 93.8 | Very high | 78 Ų | 78 | 106.4 Ų | 106.4 | 47% | 0.473 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.1 | 179.9 | -179 | 0 | 0 | 0 | 0 | 109.4 | I18 I19 | I18-V33 CarbonylContact C-O 3.49Å; I18-V33 VanDerWaalsContact CA-O 3.28Å; I18-V33 WeakPolarHBondContact CA-O 3.47Å; I19-V33 HydrophobicContact CB-CB 4.3Å; I19-V33 PolarHBondContact N-O 3.49Å; I19-V33 PolarHBondContact O-N 3.41Å |
| 34 | R | 94.5 | Very high | 93.2 | Very high | 152 Ų | 152 | 103.9 Ų | 103.9 | 57% | 0.574 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134 | 176.8 | -172.9 | -172.7 | 173 | 103 | 12.3 | 110.8 | N16 | N16-R34 PolarHBondContact ND2-NH1 3.45Å; N16-R34 PolarHBondContact OD1-NH1 3.06Å; N16-R34 PolarHBondContact OD1-NH2 3.44Å |
| 35 | V | 92.7 | Very high | 92.8 | Very high | 19 Ų | 19 | 102.5 Ų | 102.5 | 12% | 0.115 | 52% | 0.52 | C | S | . | . | trans | -105.3 | 139.4 | 174.2 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | V9 L17 I19 | V9-V35 HydrophobicContact CG1-CB 4.26Å; V9-V35 HydrophobicContact CG1-CG2 4.05Å; V9-V35 HydrophobicContact CG2-CG2 4.2Å; L17-V35 HydrophobicContact CB-CB 4.19Å; L17-V35 PolarHBondContact O-N 3.25Å; I19-V35 HydrophobicContact CD1-CG2 4.17Å; I19-V35 HydrophobicContact CG1-CG2 3.76Å | ||
| 36 | K | 92.3 | Very high | 92.2 | Very high | 165 Ų | 165 | 99.5 Ų | 99.5 | 72% | 0.717 | 50% | 0.501 | S | S | * | . | trans | -68.5 | 133.4 | 175.9 | -175.4 | 173.8 | -177.7 | 174.8 | 0 | 110.4 | G38 Y39 | K36-G38 PolarHBondContact O-N 2.97Å; K36-Y39 WeakPolarHBondContact O-CB 3.23Å; K36-Y39 PolarHBondContact O-N 3.48Å | ||
| 37 | E | 89.4 | Confident | 91.9 | Very high | 118 Ų | 118 | 101 Ų | 101 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134 | 176.5 | -63.8 | -166.4 | 166.3 | 0 | 0 | 111.8 | L17 Y39 | L17-E37 HydrophobicContact CD1-CG 4.25Å; E37-Y39 PolarHBondContact O-N 3.13Å |
| 38 | G | 87 | Confident | 91.6 | Very high | 67 Ų | 67 | 108.8 Ų | 108.8 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | -9.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | K36 I40 | K36-G38 PolarHBondContact O-N 2.97Å; G38-I40 PolarHBondContact O-N 3.35Å |
| 39 | Y | 89.2 | Confident | 91.4 | Very high | 139 Ų | 139 | 111.9 Ų | 111.9 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | trans | -69.3 | 119.4 | 177.4 | 175.7 | -106.1 | 0 | 0 | 0 | 110.8 | R6 K36 E37 P41 | R6-Y39 PolarHBondContact NE-O 3.31Å; R6-Y39 VanDerWaalsContact NH2-C 3.26Å; R6-Y39 PolarHBondContact NH2-O 3.12Å; K36-Y39 WeakPolarHBondContact O-CB 3.23Å; K36-Y39 PolarHBondContact O-N 3.48Å; E37-Y39 PolarHBondContact O-N 3.13Å; Y39-P41 HydrophobicContact CD1-CG 4.45Å; Y39-P41 HydrophobicContact CE1-CG 3.95Å | ||
| 40 | I | 87.7 | Confident | 91.3 | Very high | 72 Ų | 72 | 106.8 Ų | 106.8 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | trans | -107.3 | 113.9 | 174.7 | -59.4 | 156.1 | 0 | 0 | 0 | 110 | G38 E44 V45 | G38-I40 PolarHBondContact O-N 3.35Å; I40-E44 HydrophobicContact CG2-CB 4.28Å; I40-V45 HydrophobicContact CB-CG2 4.48Å; I40-V45 HydrophobicContact CG2-CB 4.31Å; I40-V45 HydrophobicContact CG2-CG2 3.61Å | ||
| 41 | P | 90.3 | Very high | 91.2 | Very high | 38 Ų | 38 | 105.3 Ų | 105.3 | 25% | 0.247 | 53% | 0.528 | C | S | . | . | trans | -58.9 | 146 | 167.9 | -21.6 | 33 | 0 | 0 | 0 | 111 | Y39 E43 E44 V45 | Y39-P41 HydrophobicContact CD1-CG 4.45Å; Y39-P41 HydrophobicContact CE1-CG 3.95Å; P41-E43 PolarHBondContact O-N 3.4Å; P41-E44 PolarHBondContact O-N 3.26Å; P41-V45 PolarHBondContact O-N 3.45Å | ||
| 42 | Q | 89.3 | Confident | 91.2 | Very high | 154 Ų | 154 | 98.8 Ų | 98.8 | 72% | 0.72 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -55.5 | -37.5 | -177 | -173.7 | 58.1 | 44.8 | 0 | 0 | 112.8 | E44 V45 | Q42-E44 PolarHBondContact O-N 3.15Å; Q42-V45 WeakPolarHBondContact O-CB 3.4Å; Q42-V45 PolarHBondContact O-N 3.1Å |
| 43 | E | 89.1 | Confident | 91.2 | Very high | 185 Ų | 185 | 99.3 Ų | 99.3 | 86% | 0.864 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -60.6 | -27.7 | 177.5 | -57.4 | -57.9 | 156.3 | 0 | 0 | 113.1 | P41 | P41-E43 PolarHBondContact O-N 3.4Š|
| 44 | E | 86.8 | Confident | 91.1 | Very high | 58 Ų | 58 | 99.6 Ų | 99.6 | 27% | 0.271 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -103 | 1.9 | -179.2 | -62.6 | -175 | -172.1 | 0 | 0 | 113 | R6 I40 P41 Q42 P46 | R6-E44 WeakPolarHBondContact CD-OE2 3.46Å; R6-E44 VanDerWaalsContact CG-OE2 3.24Å; R6-E44 WeakPolarHBondContact CG-OE2 3.3Å; R6-E44 IonicContact CZ-OE2 3.57Å; R6-E44 IonicContact NE-OE2 3.68Å; R6-E44 IonicContact NH1-OE2 2.7Å; R6-E44 PolarHBondContact NH1-OE2 3.3Å; I40-E44 HydrophobicContact CG2-CB 4.28Å; P41-E44 PolarHBondContact O-N 3.26Å; Q42-E44 PolarHBondContact O-N 3.15Å; E44-P46 VanDerWaalsContact O-CD 3.23Å; E44-P46 WeakPolarHBondContact O-CD 3.41Å |
| 45 | V | 88.1 | Confident | 91.1 | Very high | 66 Ų | 66 | 96.5 Ų | 96.5 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -64 | 118.8 | 178.2 | 175.1 | 0 | 0 | 0 | 0 | 108.6 | I40 P41 Q42 L47 | I40-V45 HydrophobicContact CB-CG2 4.48Å; I40-V45 HydrophobicContact CG2-CB 4.31Å; I40-V45 HydrophobicContact CG2-CG2 3.61Å; P41-V45 PolarHBondContact O-N 3.45Å; Q42-V45 WeakPolarHBondContact O-CB 3.4Å; Q42-V45 PolarHBondContact O-N 3.1Å; V45-L47 PolarHBondContact O-N 2.99Å |
| 46 | P | 86.2 | Confident | 91.2 | Very high | 74 Ų | 74 | 101.3 Ų | 101.3 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 129.3 | -178.2 | -25.2 | 35.2 | 0 | 0 | 0 | 111.4 | F4 E44 Y48 | F4-P46 HydrophobicContact CD2-CG 4.12Å; F4-P46 HydrophobicContact CE2-CG 3.74Å; F4-P46 HydrophobicContact CZ-CG 4.14Å; E44-P46 VanDerWaalsContact O-CD 3.23Å; E44-P46 WeakPolarHBondContact O-CD 3.41Å; P46-Y48 PolarHBondContact O-N 3.02Å |
| 47 | L | 89.1 | Confident | 91.2 | Very high | 146 Ų | 146 | 97.8 Ų | 97.8 | 76% | 0.764 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 129.8 | 175.8 | -168.6 | 67.2 | 0 | 0 | 0 | 109.9 | V45 R49 | V45-L47 PolarHBondContact O-N 2.99Å; L47-R49 PolarHBondContact O-N 2.87Å |
| 48 | Y | 92.3 | Very high | 91.3 | Very high | 197 Ų | 197 | 98.7 Ų | 98.7 | 77% | 0.773 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 129 | -178.4 | 178.7 | -99 | 0 | 0 | 0 | 111.5 | P46 | P46-Y48 PolarHBondContact O-N 3.02Š|
| 49 | R | 92.3 | Very high | 91.5 | Very high | 126 Ų | 126 | 102.5 Ų | 102.5 | 48% | 0.475 | 51% | 0.512 | S | S | . | . | trans | -118.6 | 131.3 | 172.2 | -64.1 | -72.2 | -178.6 | 147.3 | -3.7 | 108.4 | L47 Q54 | L47-R49 PolarHBondContact O-N 2.87Å; R49-Q54 HydrophobicContact CB-CG 3.9Å; R49-Q54 PolarHBondContact O-NE2 3.31Å | ||
| 50 | S | 96.2 | Very high | 91.5 | Very high | 52 Ų | 52 | 99.4 Ų | 99.4 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | trans | -64 | 152.5 | 177 | 71.2 | 0 | 0 | 0 | 0 | 111.2 | G52 V53 Q54 | S50-G52 PolarHBondContact O-N 2.99Å; S50-V53 PolarHBondContact O-N 3.22Å; S50-V53 VanDerWaalsContact OG-CG2 3.3Å; S50-V53 WeakPolarHBondContact OG-CG2 3.5Å; S50-V53 PolarHBondContact OG-N 3.19Å; S50-Q54 PolarHBondContact O-N 2.97Å | ||
| 51 | S | 95.3 | Very high | 91.5 | Very high | 77 Ų | 77 | 102.1 Ų | 102.1 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -54.1 | -41.1 | 179.8 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | V53 Q54 I55 | S51-V53 VanDerWaalsContact C-N 3.35Å; S51-V53 PolarHBondContact O-N 3.43Å; S51-Q54 PolarHBondContact O-N 3.1Å; S51-I55 WeakPolarHBondContact O-CB 3.42Å; S51-I55 WeakPolarHBondContact O-CD1 3.44Å; S51-I55 WeakPolarHBondContact O-CG1 3.5Å; S51-I55 PolarHBondContact O-N 2.95Å |
| 52 | G | 96.6 | Very high | 91.5 | Very high | 48 Ų | 48 | 107.4 Ų | 107.4 | 50% | 0.495 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S50 L56 | S50-G52 PolarHBondContact O-N 2.99Å; G52-L56 WeakPolarHBondContact O-CB 3.27Å; G52-L56 PolarHBondContact O-N 3.39Å |
| 53 | V | 95.1 | Very high | 91.5 | Very high | 54 Ų | 54 | 101.7 Ų | 101.7 | 33% | 0.327 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 175.7 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | S50 S51 I55 L56 E57 | S50-V53 PolarHBondContact O-N 3.22Å; S50-V53 VanDerWaalsContact OG-CG2 3.3Å; S50-V53 WeakPolarHBondContact OG-CG2 3.5Å; S50-V53 PolarHBondContact OG-N 3.19Å; S51-V53 VanDerWaalsContact C-N 3.35Å; S51-V53 PolarHBondContact O-N 3.43Å; V53-I55 VanDerWaalsContact C-N 3.32Å; V53-I55 PolarHBondContact O-N 3.01Å; V53-L56 PolarHBondContact O-N 3.22Å; V53-E57 PolarHBondContact O-N 3.28Å |
| 54 | Q | 94.1 | Very high | 91.5 | Very high | 84 Ų | 84 | 98.7 Ų | 98.7 | 39% | 0.393 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 176.2 | -62.5 | 178.5 | 36.2 | 0 | 0 | 111.9 | R49 S50 S51 K58 | R49-Q54 HydrophobicContact CB-CG 3.9Å; R49-Q54 PolarHBondContact O-NE2 3.31Å; S50-Q54 PolarHBondContact O-N 2.97Å; S51-Q54 PolarHBondContact O-N 3.1Å; Q54-K58 WeakPolarHBondContact O-CB 3.41Å; Q54-K58 VanDerWaalsContact O-CG 3.29Å; Q54-K58 WeakPolarHBondContact O-CG 3.36Å; Q54-K58 PolarHBondContact O-N 3.38Å |
| 55 | I | 95.1 | Very high | 91.6 | Very high | 88 Ų | 88 | 101.3 Ų | 101.3 | 45% | 0.451 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.5 | -69.3 | 163.3 | 0 | 0 | 0 | 110.4 | S51 V53 K58 K59 | S51-I55 WeakPolarHBondContact O-CB 3.42Å; S51-I55 WeakPolarHBondContact O-CD1 3.44Å; S51-I55 WeakPolarHBondContact O-CG1 3.5Å; S51-I55 PolarHBondContact O-N 2.95Å; V53-I55 VanDerWaalsContact C-N 3.32Å; V53-I55 PolarHBondContact O-N 3.01Å; I55-K58 PolarHBondContact O-N 3.17Å; I55-K59 HydrophobicContact CG2-CD 3.8Å; I55-K59 HydrophobicContact CG2-CG 4.38Å; I55-K59 WeakPolarHBondContact O-CB 3.48Å; I55-K59 WeakPolarHBondContact O-CG 3.37Å; I55-K59 PolarHBondContact O-N 3.02Å |
| 56 | L | 94 | Very high | 91.8 | Very high | 119 Ų | 119 | 102.6 Ų | 102.6 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.5 | -43 | 179.3 | -176.3 | 62.3 | 0 | 0 | 0 | 112.2 | G52 V53 K59 S60 | G52-L56 WeakPolarHBondContact O-CB 3.27Å; G52-L56 PolarHBondContact O-N 3.39Å; V53-L56 PolarHBondContact O-N 3.22Å; L56-K59 PolarHBondContact O-N 3.47Å; L56-S60 PolarHBondContact O-N 3.27Å |
| 57 | E | 92.7 | Very high | 92 | Very high | 91 Ų | 91 | 102 Ų | 102 | 43% | 0.425 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 173.6 | -93.5 | 176.3 | 174.3 | 0 | 0 | 112.2 | V53 K59 S60 Q61 | V53-E57 PolarHBondContact O-N 3.28Å; E57-K59 VanDerWaalsContact C-N 3.27Å; E57-K59 PolarHBondContact O-N 3.27Å; E57-S60 PolarHBondContact O-N 2.71Å; E57-S60 VanDerWaalsContact O-N 3.16Å; E57-S60 PolarHBondContact O-OG 3.09Å; E57-Q61 WeakPolarHBondContact O-CG 3.24Å; E57-Q61 PolarHBondContact O-N 3.05Å |
| 58 | K | 92 | Very high | 92.1 | Very high | 138 Ų | 138 | 98.5 Ų | 98.5 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.7 | -39.7 | 176.2 | -74.2 | 175.9 | -178.3 | 177.3 | 0 | 111.7 | Q54 I55 Q61 F62 | Q54-K58 WeakPolarHBondContact O-CB 3.41Å; Q54-K58 VanDerWaalsContact O-CG 3.29Å; Q54-K58 WeakPolarHBondContact O-CG 3.36Å; Q54-K58 PolarHBondContact O-N 3.38Å; I55-K58 PolarHBondContact O-N 3.17Å; K58-Q61 PolarHBondContact O-N 3.45Å; K58-F62 PolarHBondContact O-N 3.05Å |
| 59 | K | 90.9 | Very high | 91.9 | Very high | 146 Ų | 146 | 95.7 Ų | 95.7 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.3 | -32.7 | 176.7 | -74.5 | 173.9 | 68.9 | 174.7 | 0 | 113.1 | I55 L56 E57 | I55-K59 HydrophobicContact CG2-CD 3.8Å; I55-K59 HydrophobicContact CG2-CG 4.38Å; I55-K59 WeakPolarHBondContact O-CB 3.48Å; I55-K59 WeakPolarHBondContact O-CG 3.37Å; I55-K59 PolarHBondContact O-N 3.02Å; L56-K59 PolarHBondContact O-N 3.47Å; E57-K59 VanDerWaalsContact C-N 3.27Å; E57-K59 PolarHBondContact O-N 3.27Å |
| 60 | S | 87.9 | Confident | 91.9 | Very high | 74 Ų | 74 | 96.4 Ų | 96.4 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.8 | -28.4 | 177 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | L56 E57 | L56-S60 PolarHBondContact O-N 3.27Å; E57-S60 PolarHBondContact O-N 2.71Å; E57-S60 VanDerWaalsContact O-N 3.16Å; E57-S60 PolarHBondContact O-OG 3.09Å |
| 61 | Q | 87.8 | Confident | 91.6 | Very high | 130 Ų | 130 | 96.7 Ų | 96.7 | 61% | 0.607 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -73 | -29.6 | 174.2 | -71.3 | 176.6 | -16.7 | 0 | 0 | 113.3 | E57 K58 | E57-Q61 WeakPolarHBondContact O-CG 3.24Å; E57-Q61 PolarHBondContact O-N 3.05Å; K58-Q61 PolarHBondContact O-N 3.45Å |
| 62 | F | 89.8 | Confident | 91.4 | Very high | 149 Ų | 149 | 93.6 Ų | 93.6 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | trans | -74.9 | 128.8 | 179.5 | -172.2 | -95.7 | 0 | 0 | 0 | 111.4 | K58 | K58-F62 PolarHBondContact O-N 3.05Š| ||
| 63 | V | 89.4 | Confident | 91.1 | Very high | 33 Ų | 33 | 95.8 Ų | 95.8 | 20% | 0.2 | 51% | 0.509 | C | S | . | . | trans | -124.4 | 147.2 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 108 | L67 K69 A72 | V63-L67 HydrophobicContact CG1-CB 3.98Å; V63-L67 HydrophobicContact CG1-CD2 4.42Å; V63-L67 HydrophobicContact CG1-CG 4.34Å; V63-L67 WeakPolarHBondContact CG1-O 3.48Å; V63-K69 HydrophobicContact CG2-CB 4.37Å; V63-K69 HydrophobicContact CG2-CG 3.71Å; V63-A72 HydrophobicContact CG1-CB 3.74Å; V63-A72 HydrophobicContact CG2-CB 4.33Å | ||
| 64 | I | 88.9 | Confident | 90.9 | Very high | 122 Ų | 122 | 98.5 Ų | 98.5 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | trans | -57.1 | 127.8 | 175.8 | -59.6 | 171.8 | 0 | 0 | 0 | 107.9 | G66 L67 | I64-G66 PolarHBondContact O-N 2.84Å; I64-L67 PolarHBondContact O-N 3.35Å | ||
| 65 | P | 90.6 | Very high | 90.8 | Very high | 114 Ų | 114 | 98.7 Ų | 98.7 | 74% | 0.74 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 134.6 | 176 | -27.6 | 34.7 | 0 | 0 | 0 | 111.6 | ||
| 66 | G | 91.7 | Very high | 90.5 | Very high | 93 Ų | 93 | 99.6 Ų | 99.6 | 96% | 0.959 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | -13.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I64 | I64-G66 PolarHBondContact O-N 2.84Š|
| 67 | L | 90.9 | Very high | 90.4 | Very high | 62 Ų | 62 | 98.2 Ų | 98.2 | 33% | 0.325 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -104.5 | 136 | 173 | -168.7 | 66.9 | 0 | 0 | 0 | 110.3 | V63 I64 D71 A72 L75 | V63-L67 HydrophobicContact CG1-CB 3.98Å; V63-L67 HydrophobicContact CG1-CD2 4.42Å; V63-L67 HydrophobicContact CG1-CG 4.34Å; V63-L67 WeakPolarHBondContact CG1-O 3.48Å; I64-L67 PolarHBondContact O-N 3.35Å; L67-D71 HydrophobicContact CD1-CB 3.58Å; L67-D71 HydrophobicContact CG-CB 4.14Å; L67-A72 HydrophobicContact CD2-CB 3.77Å; L67-A72 HydrophobicContact CG-CB 4.29Å; L67-L75 HydrophobicContact CD1-CD1 4.27Å; L67-L75 HydrophobicContact CD2-CD1 3.92Å |
| 68 | T | 89.9 | Confident | 90.4 | Very high | 72 Ų | 72 | 99 Ų | 99 | 44% | 0.442 | 52% | 0.517 | S | S | . | . | trans | -74.4 | 157.6 | 175.7 | 74.6 | 0 | 0 | 0 | 0 | 111 | E70 D71 A72 | T68-E70 PolarHBondContact O-N 3.15Å; T68-D71 PolarHBondContact O-N 3.35Å; T68-D71 WeakPolarHBondContact OG1-CB 3.41Å; T68-D71 PolarHBondContact OG1-N 3.17Å; T68-D71 VanDerWaalsContact OG1-N 3.09Å; T68-D71 PolarHBondContact OG1-OD2 3.36Å; T68-A72 WeakPolarHBondContact O-CB 3.38Å; T68-A72 PolarHBondContact O-N 3.34Å | ||
| 69 | K | 89.1 | Confident | 90.3 | Very high | 138 Ų | 138 | 101.6 Ų | 101.6 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.8 | -36.9 | 174.2 | -71.7 | 177.8 | 179.3 | 179.2 | 0 | 111.9 | V63 N73 | V63-K69 HydrophobicContact CG2-CB 4.37Å; V63-K69 HydrophobicContact CG2-CG 3.71Å; K69-N73 WeakPolarHBondContact O-CB 3.46Å; K69-N73 PolarHBondContact O-N 3.1Å; K69-N73 VanDerWaalsContact O-N 3.13Å; K69-N73 PolarHBondContact O-ND2 3.35Å; K69-N73 VanDerWaalsContact O-ND2 3.14Å |
| 70 | E | 91.1 | Very high | 90.3 | Very high | 140 Ų | 140 | 100.2 Ų | 100.2 | 65% | 0.654 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.8 | -46 | 179.5 | -62.3 | -176.5 | -175.6 | 0 | 0 | 111.3 | T68 N73 K74 | T68-E70 PolarHBondContact O-N 3.15Å; E70-N73 WeakPolarHBondContact O-CB 3.28Å; E70-N73 PolarHBondContact O-N 3.27Å; E70-N73 VanDerWaalsContact O-N 3.14Å; E70-K74 WeakPolarHBondContact O-CG 3.32Å; E70-K74 PolarHBondContact O-N 3.49Å |
| 71 | D | 91.6 | Very high | 90.3 | Very high | 58 Ų | 58 | 103.1 Ų | 103.1 | 31% | 0.31 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.8 | -37.4 | -179.8 | -59.4 | -35.5 | 0 | 0 | 0 | 112 | L67 T68 N73 K74 L75 | L67-D71 HydrophobicContact CD1-CB 3.58Å; L67-D71 HydrophobicContact CG-CB 4.14Å; T68-D71 PolarHBondContact O-N 3.35Å; T68-D71 WeakPolarHBondContact OG1-CB 3.41Å; T68-D71 PolarHBondContact OG1-N 3.17Å; T68-D71 VanDerWaalsContact OG1-N 3.09Å; T68-D71 PolarHBondContact OG1-OD2 3.36Å; D71-N73 VanDerWaalsContact C-N 3.25Å; D71-N73 PolarHBondContact O-N 2.9Å; D71-K74 PolarHBondContact O-N 2.94Å; D71-K74 IonicContact OD1-NZ 3.19Å; D71-K74 PolarHBondContact OD1-NZ 2.96Å; D71-L75 WeakPolarHBondContact O-CG 3.36Å; D71-L75 PolarHBondContact O-N 3.08Å |
| 72 | A | 89.3 | Confident | 90.1 | Very high | 12 Ų | 12 | 102.8 Ų | 102.8 | 10% | 0.099 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -60.6 | -36.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V63 L67 T68 K76 | V63-A72 HydrophobicContact CG1-CB 3.74Å; V63-A72 HydrophobicContact CG2-CB 4.33Å; L67-A72 HydrophobicContact CD2-CB 3.77Å; L67-A72 HydrophobicContact CG-CB 4.29Å; T68-A72 WeakPolarHBondContact O-CB 3.38Å; T68-A72 PolarHBondContact O-N 3.34Å; A72-K76 VanDerWaalsContact O-CG 3.29Å; A72-K76 WeakPolarHBondContact O-CG 3.29Å; A72-K76 PolarHBondContact O-N 3.2Å; A72-K76 VanDerWaalsContact O-N 3.14Å |
| 73 | N | 91.1 | Very high | 89.5 | Confident | 95 Ų | 95 | 99.1 Ų | 99.1 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.7 | -39.3 | 175.5 | -71.4 | -24 | 0 | 0 | 0 | 111.9 | K69 E70 D71 K76 L77 | K69-N73 WeakPolarHBondContact O-CB 3.46Å; K69-N73 PolarHBondContact O-N 3.1Å; K69-N73 VanDerWaalsContact O-N 3.13Å; K69-N73 PolarHBondContact O-ND2 3.35Å; K69-N73 VanDerWaalsContact O-ND2 3.14Å; E70-N73 WeakPolarHBondContact O-CB 3.28Å; E70-N73 PolarHBondContact O-N 3.27Å; E70-N73 VanDerWaalsContact O-N 3.14Å; D71-N73 VanDerWaalsContact C-N 3.25Å; D71-N73 PolarHBondContact O-N 2.9Å; N73-K76 PolarHBondContact O-N 3.36Å; N73-L77 WeakPolarHBondContact O-CB 3.49Å; N73-L77 PolarHBondContact O-N 2.93Å |
| 74 | K | 91.8 | Very high | 88.6 | Confident | 111 Ų | 111 | 104.6 Ų | 104.6 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.9 | -49.3 | 173.7 | -70.4 | 172.8 | -170.2 | 164.1 | 0 | 111.4 | E70 D71 K76 L77 E78 | E70-K74 WeakPolarHBondContact O-CG 3.32Å; E70-K74 PolarHBondContact O-N 3.49Å; D71-K74 PolarHBondContact O-N 2.94Å; D71-K74 IonicContact OD1-NZ 3.19Å; D71-K74 PolarHBondContact OD1-NZ 2.96Å; K74-K76 VanDerWaalsContact C-N 3.31Å; K74-K76 PolarHBondContact O-N 3.48Å; K74-L77 PolarHBondContact O-N 2.93Å; K74-E78 WeakPolarHBondContact O-CG 3.37Å; K74-E78 PolarHBondContact O-N 2.68Å |
| 75 | L | 90.3 | Very high | 87.4 | Confident | 88 Ų | 88 | 102.4 Ų | 102.4 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -37.6 | 176.9 | -73.3 | 167.3 | 0 | 0 | 0 | 112.6 | L67 D71 R79 | L67-L75 HydrophobicContact CD1-CD1 4.27Å; L67-L75 HydrophobicContact CD2-CD1 3.92Å; D71-L75 WeakPolarHBondContact O-CG 3.36Å; D71-L75 PolarHBondContact O-N 3.08Å; L75-R79 WeakPolarHBondContact O-CB 3.2Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 3.19Å |
| 76 | K | 89.5 | Confident | 86.1 | Confident | 107 Ų | 107 | 102.8 Ų | 102.8 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 173 | -77.9 | 173.6 | -174.1 | 172.3 | 0 | 111.7 | A72 N73 K74 R79 Q80 | A72-K76 VanDerWaalsContact O-CG 3.29Å; A72-K76 WeakPolarHBondContact O-CG 3.29Å; A72-K76 PolarHBondContact O-N 3.2Å; A72-K76 VanDerWaalsContact O-N 3.14Å; N73-K76 PolarHBondContact O-N 3.36Å; K74-K76 VanDerWaalsContact C-N 3.31Å; K74-K76 PolarHBondContact O-N 3.48Å; K76-R79 PolarHBondContact O-N 3.21Å; K76-Q80 WeakPolarHBondContact O-CG 3.29Å; K76-Q80 PolarHBondContact O-N 2.95Å |
| 77 | L | 91.6 | Very high | 84.4 | Confident | 90 Ų | 90 | 104.1 Ų | 104.1 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -41.2 | 180 | -170.5 | 66.7 | 0 | 0 | 0 | 111.6 | N73 K74 Q80 K81 | N73-L77 WeakPolarHBondContact O-CB 3.49Å; N73-L77 PolarHBondContact O-N 2.93Å; K74-L77 PolarHBondContact O-N 2.93Å; L77-Q80 PolarHBondContact O-N 2.65Å; L77-K81 WeakPolarHBondContact O-CG 3.32Å; L77-K81 PolarHBondContact O-N 3.22Å |
| 78 | E | 92.6 | Very high | 82.6 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 174.1 | -73.5 | 172.5 | -179.5 | 0 | 0 | 111.6 | K74 Q80 K81 Q82 | K74-E78 WeakPolarHBondContact O-CG 3.37Å; K74-E78 PolarHBondContact O-N 2.68Å; E78-Q80 VanDerWaalsContact C-N 3.32Å; E78-Q80 PolarHBondContact O-N 2.82Å; E78-K81 PolarHBondContact O-N 3.48Å; E78-Q82 WeakPolarHBondContact O-CG 3.34Å; E78-Q82 PolarHBondContact O-N 3.13Å |
| 79 | R | 91.1 | Very high | 80.9 | Confident | 193 Ų | 193 | 106.6 Ų | 106.6 | 73% | 0.728 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.3 | -38.2 | 173.8 | -81 | -177.4 | 60.9 | 171.3 | 0.3 | 113 | L75 K76 S83 | L75-R79 WeakPolarHBondContact O-CB 3.2Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 3.19Å; K76-R79 PolarHBondContact O-N 3.21Å; R79-S83 PolarHBondContact O-N 3.41Å; R79-S83 VanDerWaalsContact O-N 3.09Å; R79-S83 PolarHBondContact O-OG 3.42Å |
| 80 | Q | 89.4 | Confident | 79.1 | Confident | 117 Ų | 117 | 104.8 Ų | 104.8 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66 | -41.6 | 176 | -76.8 | 177.1 | 5.5 | 0 | 0 | 111.5 | K76 L77 E78 S83 Q84 | K76-Q80 WeakPolarHBondContact O-CG 3.29Å; K76-Q80 PolarHBondContact O-N 2.95Å; L77-Q80 PolarHBondContact O-N 2.65Å; E78-Q80 VanDerWaalsContact C-N 3.32Å; E78-Q80 PolarHBondContact O-N 2.82Å; Q80-S83 PolarHBondContact O-N 3.33Å; Q80-S83 PolarHBondContact O-OG 2.92Å; Q80-Q84 PolarHBondContact O-N 2.94Å |
| 81 | K | 88.6 | Confident | 77.1 | Confident | 135 Ų | 135 | 104.8 Ų | 104.8 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.6 | -44.3 | 175.6 | -71.7 | 177.2 | 179.5 | -177.2 | 0 | 112.3 | L77 E78 S83 Q84 S85 | L77-K81 WeakPolarHBondContact O-CG 3.32Å; L77-K81 PolarHBondContact O-N 3.22Å; E78-K81 PolarHBondContact O-N 3.48Å; K81-S83 VanDerWaalsContact C-N 3.33Å; K81-S83 PolarHBondContact O-N 2.95Å; K81-Q84 PolarHBondContact O-N 3.3Å; K81-Q84 VanDerWaalsContact O-N 3.14Å; K81-S85 PolarHBondContact O-N 3.44Å |
| 82 | Q | 84.1 | Confident | 74.8 | Confident | 123 Ų | 123 | 108.1 Ų | 108.1 | 58% | 0.575 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.7 | -39.7 | 176 | -71.7 | 173.4 | -10.8 | 0 | 0 | 112 | E78 Q84 S85 | E78-Q82 WeakPolarHBondContact O-CG 3.34Å; E78-Q82 PolarHBondContact O-N 3.13Å; Q82-Q84 PolarHBondContact O-N 3.45Å; Q82-S85 PolarHBondContact O-N 3.24Å; Q82-S85 PolarHBondContact O-OG 3.45Å |
| 83 | S | 77.6 | Confident | 72.9 | Confident | 71 Ų | 71 | 112.9 Ų | 112.9 | 50% | 0.497 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.7 | -16.6 | 177 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | R79 Q80 K81 T87 | R79-S83 PolarHBondContact O-N 3.41Å; R79-S83 VanDerWaalsContact O-N 3.09Å; R79-S83 PolarHBondContact O-OG 3.42Å; Q80-S83 PolarHBondContact O-N 3.33Å; Q80-S83 PolarHBondContact O-OG 2.92Å; K81-S83 VanDerWaalsContact C-N 3.33Å; K81-S83 PolarHBondContact O-N 2.95Å; S83-T87 WeakPolarHBondContact O-CG2 3.5Å |
| 84 | Q | 70.6 | Confident | 71 | Confident | 149 Ų | 149 | 115.7 Ų | 115.7 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -87.7 | -23 | 176 | -71.3 | -177.7 | -4.2 | 0 | 0 | 113.1 | Q80 K81 Q82 T87 | Q80-Q84 PolarHBondContact O-N 2.94Å; K81-Q84 PolarHBondContact O-N 3.3Å; K81-Q84 VanDerWaalsContact O-N 3.14Å; Q82-Q84 PolarHBondContact O-N 3.45Å; Q84-T87 PolarHBondContact O-OG1 2.89Å |
| 85 | S | 63.1 | Low | 69 | Low | 75 Ų | 75 | 119.7 Ų | 119.7 | 52% | 0.524 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -77.4 | -29.2 | 175.3 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | K81 Q82 T87 | K81-S85 PolarHBondContact O-N 3.44Å; Q82-S85 PolarHBondContact O-N 3.24Å; Q82-S85 PolarHBondContact O-OG 3.45Å; S85-T87 PolarHBondContact O-N 3.1Å |
| 86 | D | 63.1 | Low | 66.7 | Low | 122 Ų | 122 | 125.7 Ų | 125.7 | 65% | 0.652 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -87.1 | -2 | -172 | -61.9 | -15.2 | 0 | 0 | 0 | 114.1 | S88 | D86-S88 VanDerWaalsContact C-N 3.25Å; D86-S88 PolarHBondContact O-N 3.24Å |
| 87 | T | 56.5 | Low | 64.8 | Low | 121 Ų | 121 | 130.1 Ų | 130.1 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -84.9 | 14 | -177.3 | 50.1 | 0 | 0 | 0 | 0 | 114.8 | S83 Q84 S85 | S83-T87 WeakPolarHBondContact O-CG2 3.5Å; Q84-T87 PolarHBondContact O-OG1 2.89Å; S85-T87 PolarHBondContact O-N 3.1Å |
| 88 | S | 53.3 | Low | 62.5 | Low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -98.4 | -0.3 | 175.9 | 57.3 | 0 | 0 | 0 | 0 | 115.1 | D86 | D86-S88 VanDerWaalsContact C-N 3.25Å; D86-S88 PolarHBondContact O-N 3.24Å |
| 89 | A | 54.3 | Low | 60.5 | Low | 74 Ų | 74 | 135.1 Ų | 135.1 | 61% | 0.612 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -134.9 | 113.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 90 | S | 50.7 | Low | 58.2 | Low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | trans | 46.9 | 104.2 | 149.8 | 60.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 91 | N | 48.3 | Very low | 56.2 | Low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | 153.9 | 114.5 | 112.7 | -79.2 | -47.5 | 0 | 0 | 0 | 110.9 | V93 | N91-V93 PolarHBondContact O-N 3.2Š| |||
| 92 | P | 44.4 | Very low | 54.4 | Low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 74% | 0.737 | S | S | * | * | trans | -93.2 | 86.5 | 177.3 | 35.2 | -28.2 | 0 | 0 | 0 | 109.8 | ||||
| 93 | V | 48 | Very low | 52.5 | Low | 112 Ų | 112 | 138.8 Ų | 138.8 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | trans | -140.9 | 113.9 | 173.7 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | N91 | N91-V93 PolarHBondContact O-N 3.2Š| ||
| 94 | L | 52.2 | Low | 50.7 | Low | 154 Ų | 154 | 141.3 Ų | 141.3 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | trans | 79.4 | 117 | 170.3 | -46.8 | 152 | 0 | 0 | 0 | 113.2 | ||||
| 95 | K | 49 | Very low | 49.4 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | cis | -158.2 | 123.6 | 47 | -69.9 | 176 | -176.9 | 171.9 | 0 | 109.9 | K97 | K95-K97 PolarHBondContact O-N 3.44Š| ||
| 96 | K | 42.8 | Very low | 48.8 | Very low | 214 Ų | 214 | 148 Ų | 148 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | -62.4 | 115.3 | 158.2 | -74.2 | 173 | 177.2 | 168.1 | 0 | 108.4 | ||||
| 97 | K | 48.5 | Very low | 47.8 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -139.7 | 95.7 | 151.2 | -138.5 | 175.4 | -174.2 | 178.5 | 0 | 109 | K95 S99 | K95-K97 PolarHBondContact O-N 3.44Å; K97-S99 PolarHBondContact O-N 3.44Å | ||
| 98 | K | 43.3 | Very low | 47.1 | Very low | 197 Ų | 197 | 150.1 Ų | 150.1 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -56.8 | 124 | 165 | -76.3 | 176.6 | 171.4 | 177.8 | 0 | 108.3 | ||||
| 99 | S | 51.1 | Low | 46.5 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | -122.5 | 99.9 | 153.6 | 59.7 | 0 | 0 | 0 | 0 | 108 | K97 K101 | K97-S99 PolarHBondContact O-N 3.44Å; S99-K101 PolarHBondContact O-N 3.14Å | ||
| 100 | N | 44.2 | Very low | 45.9 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -62.6 | 111.7 | 157.4 | -71.6 | -21.2 | 0 | 0 | 0 | 106.9 | ||||
| 101 | K | 46.6 | Very low | 45.3 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -132.8 | 111.2 | 162.1 | -165.2 | 84.7 | -180 | -178.9 | 0 | 108.5 | S99 | S99-K101 PolarHBondContact O-N 3.14Š| ||
| 102 | S | 51.6 | Low | 44.9 | Very low | 100 Ų | 100 | 155.1 Ų | 155.1 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -35.3 | 130.1 | 171.3 | 31.7 | 0 | 0 | 0 | 0 | 115.3 | C104 | S102-C104 PolarHBondContact O-N 3.32Å; S102-C104 VanDerWaalsContact O-N 3.11Å | ||
| 103 | K | 42.4 | Very low | 44.5 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -22.7 | 99.7 | 151.3 | -160.1 | 168.5 | -169 | 164.9 | 0 | 113 | ||||
| 104 | C | 41.1 | Very low | 43.9 | Very low | 123 Ų | 123 | 153.8 Ų | 153.8 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -96.1 | 111.9 | 161.4 | -173.9 | 0 | 0 | 0 | 0 | 106.8 | S102 Q106 | S102-C104 PolarHBondContact O-N 3.32Å; S102-C104 VanDerWaalsContact O-N 3.11Å; C104-Q106 PolarHBondContact O-N 3.36Å | ||
| 105 | K | 43.2 | Very low | 43.2 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 74% | 0.739 | 82% | 0.818 | S | S | * | * | trans | -69.1 | 119.5 | 174.2 | -74.7 | 175.1 | 174 | -179.3 | 0 | 108.1 | T107 | K105-T107 PolarHBondContact O-N 2.93Š| ||
| 106 | Q | 51.3 | Low | 42.9 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -63 | 117.1 | 155.7 | -78.9 | 168.8 | -38.3 | 0 | 0 | 107.5 | C104 | C104-Q106 PolarHBondContact O-N 3.36Š| ||
| 107 | T | 40.1 | Very low | 43 | Very low | 134 Ų | 134 | 151.1 Ų | 151.1 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -97.7 | 109.6 | 155.9 | 46.6 | 0 | 0 | 0 | 0 | 106.3 | K105 | K105-T107 PolarHBondContact O-N 2.93Š| ||
| 108 | D | 43.4 | Very low | 42.5 | Very low | 155 Ų | 155 | 148.3 Ų | 148.3 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -69.4 | 155.3 | 173.8 | -139.3 | -23.4 | 0 | 0 | 0 | 110.6 | ||||
| 109 | V | 39.6 | Very low | 42.3 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | trans | -75.4 | 126.8 | -169.6 | -165 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 110 | Q | 43 | Very low | 42.1 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -132.7 | 93.2 | 153.2 | -84.9 | -174.4 | -6.6 | 0 | 0 | 109.2 | S112 | Q110-S112 PolarHBondContact O-N 3.32Š| ||
| 111 | S | 36.6 | Very low | 42.2 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -66 | 108.9 | 155 | -79.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 112 | S | 39.9 | Very low | 41.9 | Very low | 105 Ų | 105 | 145.5 Ų | 145.5 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | trans | -131 | 111.4 | 158.2 | 59.1 | 0 | 0 | 0 | 0 | 107.4 | Q110 | Q110-S112 PolarHBondContact O-N 3.32Š| ||
| 113 | G | 35.7 | Very low | 41.7 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | -62.4 | 148.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 114 | T | 37.2 | Very low | 41.6 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | trans | -157.7 | 115.5 | 145.4 | -79.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 115 | S | 36.4 | Very low | 41.7 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -52.1 | 135.7 | 169.2 | -48.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 116 | K | 42.9 | Very low | 41.6 | Very low | 205 Ų | 205 | 145.8 Ų | 145.8 | 89% | 0.891 | 82% | 0.819 | S | S | * | * | trans | -154 | 123.2 | 142.8 | -107.6 | 169.3 | -171.9 | -173.6 | 0 | 109.6 | ||||
| 117 | Q | 45.4 | Very low | 41.2 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -53.5 | 145.6 | 172.5 | -65.3 | 154 | -49.1 | 0 | 0 | 110.7 | ||||
| 118 | T | 37.9 | Very low | 41.3 | Very low | 141 Ų | 141 | 146 Ų | 146 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | -159 | 131.1 | 117.4 | -54.7 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 119 | E | 38.7 | Very low | 40.9 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -61.6 | 154.1 | 170.7 | -63.3 | -176.1 | 132.2 | 0 | 0 | 111.7 | ||||
| 120 | L | 47.9 | Very low | 40.6 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | 172.9 | 109.6 | 123.8 | -87.6 | 165.6 | 0 | 0 | 0 | 109.7 | |||||
| 121 | D | 44.7 | Very low | 40.3 | Very low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | 56 | 133.8 | 139.1 | -129.8 | 2.4 | 0 | 0 | 0 | 122.6 | ||||
| 122 | S | 41.5 | Very low | 40.3 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | -104.6 | -167.5 | 175.3 | -49.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 123 | P | 46.9 | Very low | 40.1 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | cis | -132.9 | 179.7 | -20.3 | 22.6 | 1.5 | 0 | 0 | 0 | 112.2 | ||||
| 124 | K | 40.7 | Very low | 40 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 147.9 | 118.8 | 119 | -154.8 | 172.7 | -170.4 | 177.4 | 0 | 113.7 | |||||
| 125 | L | 42.9 | Very low | 40 | Very low | 144 Ų | 144 | 145.6 Ų | 145.6 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | 16.6 | 134.2 | 149.8 | -64.2 | 101.2 | 0 | 0 | 0 | 120.4 | ||||
| 126 | T | 41.7 | Very low | 39.9 | Very low | 142 Ų | 142 | 144.9 Ų | 144.9 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | 178.5 | 141.7 | 102 | 33 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 127 | K | 41.9 | Very low | 39.6 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -79.5 | 166.6 | 173.4 | -60.8 | 173.6 | 171.7 | 176.3 | 0 | 109.9 | ||||
| 128 | P | 42.3 | Very low | 39.2 | Very low | 134 Ų | 134 | 141 Ų | 141 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | -154.4 | -178.1 | 88.6 | 37.2 | -14.9 | 0 | 0 | 0 | 116.8 | |||||
| 129 | S | 35.9 | Very low | 39.1 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -77.6 | 148.1 | -174.9 | 133.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 130 | T | 32.3 | Very low | 39.1 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 40.6 | 118.9 | 135.9 | -25.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 131 | T | 36.1 | Very low | 39 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | 159.5 | 129.4 | 109 | -53.6 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 132 | S | 36.8 | Very low | 39.1 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | 29.6 | 118.8 | 158.5 | 67.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 133 | S | 36.5 | Very low | 39.1 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | 170.2 | 146.7 | 105.6 | 60.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 134 | D | 34 | Very low | 39 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -14 | 142.5 | 166.6 | -94 | -26.8 | 0 | 0 | 0 | 122 | ||||
| 135 | Y | 37.1 | Very low | 38.8 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | 59 | 119.2 | 148.8 | -72.2 | -80.4 | 0 | 0 | 0 | 121.5 | ||||
| 136 | S | 33.3 | Very low | 38.7 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | 56.3 | 105.4 | 140.9 | 53 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 137 | D | 37.4 | Very low | 38.9 | Very low | 140 Ų | 140 | 131.4 Ų | 131.4 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | -169.3 | 132.6 | 119.5 | -110.3 | -18.6 | 0 | 0 | 0 | 114.9 | |||||
| 138 | K | 36.2 | Very low | 39.2 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | 49.8 | 98.1 | 144.5 | -38.4 | -151 | -176.9 | -163.5 | 0 | 119.7 | ||||
| 139 | V | 37 | Very low | 39.5 | Very low | 133 Ų | 133 | 125.4 Ų | 125.4 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | trans | -96.3 | 106.1 | 140.9 | -167.6 | 0 | 0 | 0 | 0 | 107.2 | I141 | V139-I141 HydrophobicContact CG1-CG1 4.47Å; V139-I141 PolarHBondContact O-N 3.32Å; V139-I141 VanDerWaalsContact O-N 3.08Å | ||
| 140 | N | 38.3 | Very low | 40.3 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | trans | -56 | 100 | 165.3 | -177.1 | 42.6 | 0 | 0 | 0 | 108.6 | ||||
| 141 | I | 45 | Very low | 42.2 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | trans | -98.5 | 114.3 | 165.1 | -63.6 | -179.6 | 0 | 0 | 0 | 105.7 | V139 I143 | V139-I141 HydrophobicContact CG1-CG1 4.47Å; V139-I141 PolarHBondContact O-N 3.32Å; V139-I141 VanDerWaalsContact O-N 3.08Å; I141-I143 PolarHBondContact O-N 3.13Å | ||
| 142 | E | 46.8 | Very low | 44.4 | Very low | 164 Ų | 164 | 121 Ų | 121 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | trans | -47.8 | 129.6 | -179.2 | -66 | 167.3 | 174.9 | 0 | 0 | 111.6 | P144 | E142-P144 WeakPolarHBondContact O-CD 3.46Š| ||
| 143 | I | 41.2 | Very low | 46.8 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 73% | 0.728 | 68% | 0.678 | S | S | * | * | trans | -73.9 | 117.7 | 179.3 | -62 | 151.6 | 0 | 0 | 0 | 108 | I141 S145 | I141-I143 PolarHBondContact O-N 3.13Å; I143-S145 PolarHBondContact O-N 3.27Å | ||
| 144 | P | 45.2 | Very low | 49.2 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 79% | 0.792 | 66% | 0.656 | S | S | * | * | trans | -84.8 | 94.1 | 152.9 | 19.4 | -2.5 | 0 | 0 | 0 | 106.7 | E142 D146 | E142-P144 WeakPolarHBondContact O-CD 3.46Å; P144-D146 PolarHBondContact O-N 3.07Å | ||
| 145 | S | 36.2 | Very low | 52 | Low | 106 Ų | 106 | 113 Ų | 113 | 74% | 0.741 | 63% | 0.626 | S | S | * | * | trans | -73.8 | 83.1 | 163.5 | 63.7 | 0 | 0 | 0 | 0 | 107.7 | I143 | I143-S145 PolarHBondContact O-N 3.27Š| ||
| 146 | D | 40.9 | Very low | 54.7 | Low | 96 Ų | 96 | 105.5 Ų | 105.5 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | trans | -131.1 | 76.2 | 163.5 | -160.5 | 14 | 0 | 0 | 0 | 108.8 | P144 T148 | P144-D146 PolarHBondContact O-N 3.07Å; D146-T148 PolarHBondContact O-N 2.82Å; D146-T148 VanDerWaalsContact O-N 3.07Å | ||
| 147 | A | 45.6 | Very low | 57.5 | Low | 85 Ų | 85 | 105.4 Ų | 105.4 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 25.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 148 | T | 50.1 | Low | 60.2 | Low | 114 Ų | 114 | 102.9 Ų | 102.9 | 70% | 0.699 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | -21 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | D146 | D146-T148 PolarHBondContact O-N 2.82Å; D146-T148 VanDerWaalsContact O-N 3.07Å |
| 149 | V | 48.5 | Very low | 63 | Low | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -12.7 | 177.2 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 150 | T | 51.3 | Low | 65.8 | Low | 74 Ų | 74 | 95.6 Ų | 95.6 | 45% | 0.454 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -89.7 | 2.1 | -175.2 | 51.8 | 0 | 0 | 0 | 0 | 115.6 | N154 | T150-N154 VanDerWaalsContact O-CB 3.32Å; T150-N154 WeakPolarHBondContact O-CB 3.34Å; T150-N154 PolarHBondContact O-ND2 3.28Å |
| 151 | T | 71.8 | Confident | 68.6 | Low | 79 Ų | 79 | 97.2 Ų | 97.2 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -86.9 | -47.9 | -172.6 | -43.6 | 0 | 0 | 0 | 0 | 111.9 | N154 I155 | T151-N154 PolarHBondContact O-N 2.93Å; T151-I155 HydrophobicContact CG2-CD1 4.1Å; T151-I155 WeakPolarHBondContact O-CD1 3.34Å; T151-I155 VanDerWaalsContact O-CG1 3.27Å; T151-I155 WeakPolarHBondContact O-CG1 3.45Å; T151-I155 PolarHBondContact O-N 2.9Å |
| 152 | T | 82.3 | Confident | 71 | Confident | 90 Ų | 90 | 91.8 Ų | 91.8 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68 | -45.9 | -176.1 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | N154 I155 D156 | T152-N154 VanDerWaalsContact C-N 3.26Å; T152-N154 PolarHBondContact O-N 3.41Å; T152-I155 PolarHBondContact O-N 3.48Å; T152-D156 PolarHBondContact O-N 3.08Å |
| 153 | E | 87.1 | Confident | 73.4 | Confident | 100 Ų | 100 | 88.3 Ų | 88.3 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.9 | -33.6 | 178.4 | -65 | -164.1 | 164.9 | 0 | 0 | 112.6 | D156 R157 | E153-D156 PolarHBondContact O-N 2.98Å; E153-R157 VanDerWaalsContact CB-NH2 3.26Å; E153-R157 WeakPolarHBondContact O-CB 3.38Å; E153-R157 VanDerWaalsContact O-CG 3.28Å; E153-R157 WeakPolarHBondContact O-CG 3.37Å; E153-R157 PolarHBondContact O-N 3.23Å; E153-R157 IonicContact OE2-CZ 3.91Å; E153-R157 IonicContact OE2-NH1 3.39Å; E153-R157 PolarHBondContact OE2-NH1 2.75Å; E153-R157 IonicContact OE2-NH2 3.43Å; E153-R157 PolarHBondContact OE2-NH2 3.09Å |
| 154 | N | 88.6 | Confident | 76.1 | Confident | 69 Ų | 69 | 88.9 Ų | 88.9 | 37% | 0.369 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.7 | -39.7 | 176.8 | -78.3 | -28 | 0 | 0 | 0 | 111.5 | T150 T151 T152 D156 R157 Q158 | T150-N154 VanDerWaalsContact O-CB 3.32Å; T150-N154 WeakPolarHBondContact O-CB 3.34Å; T150-N154 PolarHBondContact O-ND2 3.28Å; T151-N154 PolarHBondContact O-N 2.93Å; T152-N154 VanDerWaalsContact C-N 3.26Å; T152-N154 PolarHBondContact O-N 3.41Å; N154-D156 VanDerWaalsContact C-N 3.34Å; N154-R157 PolarHBondContact O-N 3.41Å; N154-R157 PolarHBondContact OD1-NE 3.25Å; N154-R157 PolarHBondContact OD1-NH2 2.88Å; N154-Q158 WeakPolarHBondContact O-CG 3.41Å; N154-Q158 PolarHBondContact O-N 3.33Å |
| 155 | I | 92.3 | Very high | 78.6 | Confident | 19 Ų | 19 | 87.5 Ų | 87.5 | 10% | 0.097 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59 | -46 | 170.3 | -66.4 | 162.5 | 0 | 0 | 0 | 110.1 | T151 T152 R157 Q158 L159 L203 L206 K207 | T151-I155 HydrophobicContact CG2-CD1 4.1Å; T151-I155 WeakPolarHBondContact O-CD1 3.34Å; T151-I155 VanDerWaalsContact O-CG1 3.27Å; T151-I155 WeakPolarHBondContact O-CG1 3.45Å; T151-I155 PolarHBondContact O-N 2.9Å; T152-I155 PolarHBondContact O-N 3.48Å; I155-R157 PolarHBondContact O-N 2.96Å; I155-Q158 PolarHBondContact O-N 3Å; I155-Q158 VanDerWaalsContact O-N 3.09Å; I155-L159 HydrophobicContact CG2-CD1 4.11Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 PolarHBondContact O-N 3.45Å; I155-L203 HydrophobicContact CG2-CB 4.36Å; I155-L203 HydrophobicContact CG2-CD2 4.35Å; I155-L203 WeakPolarHBondContact CG2-O 3.47Å; I155-L206 HydrophobicContact CD1-CB 4.18Å; I155-K207 HydrophobicContact CG2-CB 4.01Å |
| 156 | D | 92.6 | Very high | 81.5 | Confident | 42 Ų | 42 | 83.6 Ų | 83.6 | 23% | 0.225 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 176.7 | -80.4 | -23.4 | 0 | 0 | 0 | 113.2 | T152 E153 N154 Q158 R160 K207 | T152-D156 PolarHBondContact O-N 3.08Å; E153-D156 PolarHBondContact O-N 2.98Å; N154-D156 VanDerWaalsContact C-N 3.34Å; D156-Q158 VanDerWaalsContact C-N 3.31Å; D156-R160 WeakPolarHBondContact O-CB 3.45Å; D156-R160 WeakPolarHBondContact O-CG 3.49Å; D156-R160 PolarHBondContact O-N 3.09Å; D156-R160 VanDerWaalsContact O-N 3.07Å; D156-R160 PolarHBondContact O-NE 3.4Å; D156-R160 VanDerWaalsContact O-NE 3.13Å; D156-K207 WeakPolarHBondContact OD1-CD 3.46Å; D156-K207 WeakPolarHBondContact OD1-CE 3.16Å; D156-K207 IonicContact OD1-NZ 3.66Å; D156-K207 PolarHBondContact OD1-NZ 2.95Å; D156-K207 IonicContact OD2-NZ 2.71Å |
| 157 | R | 93.5 | Very high | 84.1 | Confident | 97 Ų | 97 | 84.2 Ų | 84.2 | 37% | 0.366 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 172.8 | -78.9 | -176.1 | -94.3 | -93.6 | 5.3 | 111.1 | E153 N154 I155 R161 | E153-R157 VanDerWaalsContact CB-NH2 3.26Å; E153-R157 WeakPolarHBondContact O-CB 3.38Å; E153-R157 VanDerWaalsContact O-CG 3.28Å; E153-R157 WeakPolarHBondContact O-CG 3.37Å; E153-R157 PolarHBondContact O-N 3.23Å; E153-R157 IonicContact OE2-CZ 3.91Å; E153-R157 IonicContact OE2-NH1 3.39Å; E153-R157 PolarHBondContact OE2-NH1 2.75Å; E153-R157 IonicContact OE2-NH2 3.43Å; E153-R157 PolarHBondContact OE2-NH2 3.09Å; N154-R157 PolarHBondContact O-N 3.41Å; N154-R157 PolarHBondContact OD1-NE 3.25Å; N154-R157 PolarHBondContact OD1-NH2 2.88Å; I155-R157 PolarHBondContact O-N 2.96Å; R157-R161 WeakPolarHBondContact O-CG 3.28Å; R157-R161 PolarHBondContact O-N 3.19Å |
| 158 | Q | 93.9 | Very high | 86.6 | Confident | 86 Ų | 86 | 84.4 Ų | 84.4 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.1 | -46.7 | 176.6 | -69.9 | -178.5 | 26.8 | 0 | 0 | 112.1 | N154 I155 D156 R160 R161 E162 L203 | N154-Q158 WeakPolarHBondContact O-CG 3.41Å; N154-Q158 PolarHBondContact O-N 3.33Å; I155-Q158 PolarHBondContact O-N 3Å; I155-Q158 VanDerWaalsContact O-N 3.09Å; D156-Q158 VanDerWaalsContact C-N 3.31Å; Q158-R160 VanDerWaalsContact C-N 3.28Å; Q158-R160 PolarHBondContact O-N 3.28Å; Q158-R161 WeakPolarHBondContact O-CA 3.45Å; Q158-R161 WeakPolarHBondContact O-CB 3.41Å; Q158-R161 PolarHBondContact O-N 3.22Å; Q158-E162 PolarHBondContact O-N 3.22Å; Q158-L203 HydrophobicContact CB-CD1 3.63Å; Q158-L203 HydrophobicContact CB-CD2 4.24Å |
| 159 | L | 95.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 79 Ų | 79 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -53.4 | -45.5 | 174.4 | -78.1 | 171.6 | 0 | 0 | 0 | 111.7 | I155 R161 E162 H163 I200 L203 T204 K207 | I155-L159 HydrophobicContact CG2-CD1 4.11Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 PolarHBondContact O-N 3.45Å; L159-R161 VanDerWaalsContact C-N 3.28Å; L159-R161 PolarHBondContact O-N 2.72Å; L159-E162 PolarHBondContact O-N 3.03Å; L159-H163 WeakPolarHBondContact O-CB 3.4Å; L159-H163 PolarHBondContact O-CD2 3.38Å; L159-H163 PolarHBondContact O-N 3.31Å; L159-I200 HydrophobicContact CD2-CG2 4.25Å; L159-L203 HydrophobicContact CD2-CB 3.52Å; L159-L203 HydrophobicContact CD2-CD1 4.36Å; L159-L203 HydrophobicContact CG-CB 3.84Å; L159-L203 HydrophobicContact CG-CD1 4.48Å; L159-T204 HydrophobicContact CD2-CG2 3.8Å; L159-K207 HydrophobicContact CD1-CD 3.92Å |
| 160 | R | 95.8 | Very high | 91.1 | Very high | 137 Ų | 137 | 78.8 Ų | 78.8 | 52% | 0.517 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.2 | -31.6 | 176.2 | -76.3 | -179.9 | -72.7 | -125.5 | -1.3 | 113.7 | D156 Q158 K164 | D156-R160 WeakPolarHBondContact O-CB 3.45Å; D156-R160 WeakPolarHBondContact O-CG 3.49Å; D156-R160 PolarHBondContact O-N 3.09Å; D156-R160 VanDerWaalsContact O-N 3.07Å; D156-R160 PolarHBondContact O-NE 3.4Å; D156-R160 VanDerWaalsContact O-NE 3.13Å; Q158-R160 VanDerWaalsContact C-N 3.28Å; Q158-R160 PolarHBondContact O-N 3.28Å; R160-K164 VanDerWaalsContact O-CG 3.28Å; R160-K164 WeakPolarHBondContact O-CG 3.32Å; R160-K164 PolarHBondContact O-N 2.92Å |
| 161 | R | 96.7 | Very high | 93.3 | Very high | 169 Ų | 169 | 80.3 Ų | 80.3 | 64% | 0.638 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -75.2 | -46.2 | 177.1 | -71.4 | 170.7 | -174.1 | -177.1 | 3 | 110.7 | R157 Q158 L159 K164 R165 | R157-R161 WeakPolarHBondContact O-CG 3.28Å; R157-R161 PolarHBondContact O-N 3.19Å; Q158-R161 WeakPolarHBondContact O-CA 3.45Å; Q158-R161 WeakPolarHBondContact O-CB 3.41Å; Q158-R161 PolarHBondContact O-N 3.22Å; L159-R161 VanDerWaalsContact C-N 3.28Å; L159-R161 PolarHBondContact O-N 2.72Å; R161-K164 WeakPolarHBondContact O-CB 3.37Å; R161-K164 PolarHBondContact O-N 3.04Å; R161-R165 PolarHBondContact O-N 2.84Å |
| 162 | E | 96.4 | Very high | 94.4 | Very high | 30 Ų | 30 | 76.9 Ų | 76.9 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.3 | -38.5 | -178 | -61.9 | -49.3 | 131.7 | 0 | 0 | 112.2 | Q158 L159 K164 R165 L166 V196 L199 I200 L203 | Q158-E162 PolarHBondContact O-N 3.22Å; L159-E162 PolarHBondContact O-N 3.03Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 3.5Å; E162-R165 CarbonylContact O-C 3.58Å; E162-R165 WeakPolarHBondContact O-CA 3.27Å; E162-R165 WeakPolarHBondContact O-CB 3.42Å; E162-R165 PolarHBondContact O-N 3.06Å; E162-R165 IonicContact OE2-NH1 2.65Å; E162-L166 PolarHBondContact O-N 3.34Å; E162-V196 HydrophobicContact CB-CG1 4.3Å; E162-L199 HydrophobicContact CG-CD2 3.68Å; E162-L199 HydrophobicContact CG-CG 4.08Å; E162-I200 HydrophobicContact CB-CD1 4.15Å; E162-I200 HydrophobicContact CB-CG1 3.62Å; E162-L203 HydrophobicContact CG-CD1 4.37Å |
| 163 | H | 96.5 | Very high | 95 | Very high | 90 Ų | 90 | 75.1 Ų | 75.1 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 170.8 | -83.4 | -64.2 | 0 | 0 | 0 | 112.6 | L159 R165 L166 L167 | L159-H163 WeakPolarHBondContact O-CB 3.4Å; L159-H163 PolarHBondContact O-CD2 3.38Å; L159-H163 PolarHBondContact O-N 3.31Å; H163-R165 VanDerWaalsContact C-N 3.29Å; H163-R165 PolarHBondContact O-N 2.95Å; H163-L166 PolarHBondContact O-N 3.32Å; H163-L167 WeakPolarHBondContact O-CG 3.42Å; H163-L167 PolarHBondContact O-N 3.14Å |
| 164 | K | 97.8 | Very high | 95.4 | Very high | 154 Ų | 154 | 77.7 Ų | 77.7 | 67% | 0.67 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.4 | -36 | 174.6 | -75 | 175.9 | -176.9 | -175.3 | 0 | 112.1 | R160 R161 E162 Q168 | R160-K164 VanDerWaalsContact O-CG 3.28Å; R160-K164 WeakPolarHBondContact O-CG 3.32Å; R160-K164 PolarHBondContact O-N 2.92Å; R161-K164 WeakPolarHBondContact O-CB 3.37Å; R161-K164 PolarHBondContact O-N 3.04Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 3.5Å; K164-Q168 PolarHBondContact O-N 3.11Å; K164-Q168 VanDerWaalsContact O-N 3.1Å |
| 165 | R | 96.6 | Very high | 95.8 | Very high | 94 Ų | 94 | 77.4 Ų | 77.4 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 176.3 | -169.5 | 176.1 | -179.5 | 177.8 | 6 | 111.3 | R161 E162 H163 Q168 I169 H192 V196 | R161-R165 PolarHBondContact O-N 2.84Å; E162-R165 CarbonylContact O-C 3.58Å; E162-R165 WeakPolarHBondContact O-CA 3.27Å; E162-R165 WeakPolarHBondContact O-CB 3.42Å; E162-R165 PolarHBondContact O-N 3.06Å; E162-R165 IonicContact OE2-NH1 2.65Å; H163-R165 VanDerWaalsContact C-N 3.29Å; H163-R165 PolarHBondContact O-N 2.95Å; R165-Q168 PolarHBondContact O-N 3.37Å; R165-I169 HydrophobicContact CG-CD1 4.22Å; R165-I169 VanDerWaalsContact O-CG1 3.3Å; R165-I169 WeakPolarHBondContact O-CG1 3.46Å; R165-I169 PolarHBondContact O-N 3.49Å; R165-H192 PolarHBondContact NH2-ND1 3.26Å; R165-H192 VanDerWaalsContact NH2-ND1 3.17Å; R165-V196 HydrophobicContact CB-CG1 4.31Å; R165-V196 HydrophobicContact CG-CG2 3.96Å |
| 166 | L | 97.1 | Very high | 95.9 | Very high | 24 Ų | 24 | 82.8 Ų | 82.8 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 175 | -173.1 | 64.1 | 0 | 0 | 0 | 111 | E162 H163 Q168 I169 E170 K193 V196 E197 I200 | E162-L166 PolarHBondContact O-N 3.34Å; H163-L166 PolarHBondContact O-N 3.32Å; L166-Q168 VanDerWaalsContact C-N 3.29Å; L166-Q168 PolarHBondContact O-N 3.39Å; L166-I169 WeakPolarHBondContact O-CA 3.48Å; L166-I169 WeakPolarHBondContact O-CB 3.34Å; L166-I169 PolarHBondContact O-N 2.72Å; L166-E170 WeakPolarHBondContact O-CG 3.41Å; L166-E170 PolarHBondContact O-N 3.07Å; L166-K193 HydrophobicContact CD1-CG 4.44Å; L166-V196 HydrophobicContact CB-CG1 4.04Å; L166-E197 HydrophobicContact CD1-CG 3.84Å; L166-I200 HydrophobicContact CB-CD1 4.18Å; L166-I200 HydrophobicContact CD2-CD1 3.92Å |
| 167 | L | 97 | Very high | 96 | Very high | 109 Ų | 109 | 88.8 Ų | 88.8 | 57% | 0.571 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.6 | -41.4 | 175.1 | -73.7 | 171.7 | 0 | 0 | 0 | 112.7 | H163 I169 E170 E171 | H163-L167 WeakPolarHBondContact O-CG 3.42Å; H163-L167 PolarHBondContact O-N 3.14Å; L167-I169 VanDerWaalsContact C-N 3.34Å; L167-E170 PolarHBondContact O-N 3.24Å; L167-E171 PolarHBondContact O-N 3.43Å |
| 168 | Q | 97.1 | Very high | 96 | Very high | 88 Ų | 88 | 88.2 Ų | 88.2 | 41% | 0.411 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65 | -39 | 176.1 | -178 | 176 | 20.4 | 0 | 0 | 111.9 | K164 R165 L166 E171 I172 | K164-Q168 PolarHBondContact O-N 3.11Å; K164-Q168 VanDerWaalsContact O-N 3.1Å; R165-Q168 PolarHBondContact O-N 3.37Å; L166-Q168 VanDerWaalsContact C-N 3.29Å; L166-Q168 PolarHBondContact O-N 3.39Å; Q168-E171 PolarHBondContact O-N 3.24Å; Q168-I172 HydrophobicContact CG-CD1 4.17Å; Q168-I172 WeakPolarHBondContact O-CD1 3.42Å; Q168-I172 VanDerWaalsContact O-CG1 3.23Å; Q168-I172 WeakPolarHBondContact O-CG1 3.41Å; Q168-I172 PolarHBondContact O-N 2.89Å; Q168-I172 VanDerWaalsContact O-N 3.11Å |
| 169 | I | 97.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 87.2 Ų | 87.2 | 1% | 0.01 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 177.5 | -69.1 | 168.6 | 0 | 0 | 0 | 110.1 | R165 L166 L167 E171 I172 E173 K189 L190 K193 V196 | R165-I169 HydrophobicContact CG-CD1 4.22Å; R165-I169 VanDerWaalsContact O-CG1 3.3Å; R165-I169 WeakPolarHBondContact O-CG1 3.46Å; R165-I169 PolarHBondContact O-N 3.49Å; L166-I169 WeakPolarHBondContact O-CA 3.48Å; L166-I169 WeakPolarHBondContact O-CB 3.34Å; L166-I169 PolarHBondContact O-N 2.72Å; L167-I169 VanDerWaalsContact C-N 3.34Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 3.36Å; I169-I172 CarbonylContact O-C 3.59Å; I169-I172 WeakPolarHBondContact O-CA 3.46Å; I169-I172 WeakPolarHBondContact O-CB 3.48Å; I169-I172 PolarHBondContact O-N 3.14Å; I169-I172 VanDerWaalsContact O-N 3.08Å; I169-E173 WeakPolarHBondContact O-CG 3.29Å; I169-E173 PolarHBondContact O-N 3.13Å; I169-K189 WeakPolarHBondContact CD1-O 3.24Å; I169-K189 HydrophobicContact CG1-CB 4.38Å; I169-L190 HydrophobicContact CG2-CD2 4.16Å; I169-K193 HydrophobicContact CG2-CB 3.84Å; I169-K193 HydrophobicContact CG2-CD 4.06Å; I169-K193 HydrophobicContact CG2-CG 3.98Å; I169-V196 HydrophobicContact CD1-CB 4.5Å; I169-V196 HydrophobicContact CD1-CG2 3.96Å |
| 170 | E | 96.4 | Very high | 95.6 | Very high | 87 Ų | 87 | 91.9 Ų | 91.9 | 41% | 0.407 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 175.2 | -71.3 | 174.7 | -179.4 | 0 | 0 | 112.2 | L166 L167 I172 E173 K174 | L166-E170 WeakPolarHBondContact O-CG 3.41Å; L166-E170 PolarHBondContact O-N 3.07Å; L167-E170 PolarHBondContact O-N 3.24Å; E170-I172 VanDerWaalsContact C-N 3.3Å; E170-I172 PolarHBondContact O-N 3.14Å; E170-E173 PolarHBondContact O-N 3Å; E170-K174 WeakPolarHBondContact O-CB 3.46Å; E170-K174 PolarHBondContact O-N 2.66Å |
| 171 | E | 96.4 | Very high | 95.3 | Very high | 105 Ų | 105 | 92.9 Ų | 92.9 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 173.5 | -165.6 | -165.2 | 152.7 | 0 | 0 | 111.4 | L167 Q168 I169 K174 K175 | L167-E171 PolarHBondContact O-N 3.43Å; Q168-E171 PolarHBondContact O-N 3.24Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 3.36Å; E171-K174 PolarHBondContact O-N 3.31Å; E171-K175 WeakPolarHBondContact O-CG 3.37Å; E171-K175 PolarHBondContact O-N 3.09Å; E171-K175 WeakPolarHBondContact OE1-CE 3.37Å; E171-K175 IonicContact OE1-NZ 2.98Å; E171-K175 PolarHBondContact OE1-NZ 3.43Å |
| 172 | I | 96.1 | Very high | 95.1 | Very high | 7 Ų | 7 | 86.6 Ų | 86.6 | 4% | 0.036 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 175.8 | -68.4 | 167.2 | 0 | 0 | 0 | 111 | Q168 I169 E170 K175 K176 L182 Q186 K189 L190 | Q168-I172 HydrophobicContact CG-CD1 4.17Å; Q168-I172 WeakPolarHBondContact O-CD1 3.42Å; Q168-I172 VanDerWaalsContact O-CG1 3.23Å; Q168-I172 WeakPolarHBondContact O-CG1 3.41Å; Q168-I172 PolarHBondContact O-N 2.89Å; Q168-I172 VanDerWaalsContact O-N 3.11Å; I169-I172 CarbonylContact O-C 3.59Å; I169-I172 WeakPolarHBondContact O-CA 3.46Å; I169-I172 WeakPolarHBondContact O-CB 3.48Å; I169-I172 PolarHBondContact O-N 3.14Å; I169-I172 VanDerWaalsContact O-N 3.08Å; E170-I172 VanDerWaalsContact C-N 3.3Å; E170-I172 PolarHBondContact O-N 3.14Å; I172-K175 PolarHBondContact O-N 3.31Å; I172-K176 PolarHBondContact O-N 2.89Å; I172-L182 HydrophobicContact CG2-CD1 3.78Å; I172-L182 HydrophobicContact CG2-CD2 3.7Å; I172-L182 HydrophobicContact CG2-CG 4.25Å; I172-Q186 HydrophobicContact CD1-CB 4.26Å; I172-Q186 HydrophobicContact CD1-CG 4.01Å; I172-Q186 HydrophobicContact CG1-CG 4.24Å; I172-Q186 HydrophobicContact CG2-CB 3.91Å; I172-Q186 HydrophobicContact CG2-CG 4.4Å; I172-K189 HydrophobicContact CD1-CB 4.02Å; I172-K189 HydrophobicContact CD1-CD 3.75Å; I172-L190 HydrophobicContact CB-CD2 4.14Å; I172-L190 HydrophobicContact CG2-CD1 4.01Å; I172-L190 HydrophobicContact CG2-CD2 3.64Å; I172-L190 HydrophobicContact CG2-CG 3.63Å |
| 173 | E | 95.3 | Very high | 94.9 | Very high | 53 Ų | 53 | 90.3 Ų | 90.3 | 25% | 0.248 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 173.8 | -73.8 | -173.4 | 151.8 | 0 | 0 | 111.7 | I169 E170 K175 K176 Q177 L190 K193 | I169-E173 WeakPolarHBondContact O-CG 3.29Å; I169-E173 PolarHBondContact O-N 3.13Å; E170-E173 PolarHBondContact O-N 3Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 3.05Å; E173-K176 WeakPolarHBondContact O-CB 3.39Å; E173-K176 PolarHBondContact O-N 3.33Å; E173-Q177 WeakPolarHBondContact O-CG 3.3Å; E173-Q177 PolarHBondContact O-N 3.16Å; E173-L190 HydrophobicContact CB-CD2 4.28Å; E173-L190 HydrophobicContact CG-CD2 3.27Å; E173-K193 WeakPolarHBondContact OE1-CD 3.11Å; E173-K193 IonicContact OE1-NZ 2.71Å; E173-K193 PolarHBondContact OE1-NZ 3.14Å; E173-K193 IonicContact OE2-NZ 2.72Å; E173-K193 PolarHBondContact OE2-NZ 3.33Å |
| 174 | K | 95.8 | Very high | 94.8 | Very high | 154 Ų | 154 | 94.7 Ų | 94.7 | 67% | 0.67 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 175.4 | -170.6 | 176.3 | -179.4 | 176.9 | 0 | 111.7 | E170 E171 Q177 A178 | E170-K174 WeakPolarHBondContact O-CB 3.46Å; E170-K174 PolarHBondContact O-N 2.66Å; E171-K174 PolarHBondContact O-N 3.31Å; K174-Q177 PolarHBondContact O-N 2.95Å; K174-A178 WeakPolarHBondContact O-CB 3.37Å; K174-A178 PolarHBondContact O-N 3.34Å |
| 175 | K | 95.8 | Very high | 94.7 | Very high | 63 Ų | 63 | 91.6 Ų | 91.6 | 27% | 0.274 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 173.7 | -72.1 | 175.5 | -175.7 | 165.6 | 0 | 112.4 | E171 I172 E173 A178 G179 E180 | E171-K175 WeakPolarHBondContact O-CG 3.37Å; E171-K175 PolarHBondContact O-N 3.09Å; E171-K175 WeakPolarHBondContact OE1-CE 3.37Å; E171-K175 IonicContact OE1-NZ 2.98Å; E171-K175 PolarHBondContact OE1-NZ 3.43Å; I172-K175 PolarHBondContact O-N 3.31Å; E173-K175 VanDerWaalsContact C-N 3.33Å; E173-K175 PolarHBondContact O-N 3.05Å; K175-A178 PolarHBondContact O-N 2.93Å; K175-G179 PolarHBondContact O-N 3.2Å; K175-E180 HydrophobicContact CB-CB 4.37Å; K175-E180 WeakPolarHBondContact CD-OE2 3.45Å; K175-E180 WeakPolarHBondContact CG-OE2 3.29Å; K175-E180 WeakPolarHBondContact O-CB 3.17Å; K175-E180 PolarHBondContact O-N 3.39Å; K175-E180 VanDerWaalsContact O-N 3.07Å |
| 176 | K | 94.5 | Very high | 94.7 | Very high | 132 Ų | 132 | 88.8 Ų | 88.8 | 57% | 0.574 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 173.5 | -177.2 | -176.9 | 175.1 | -172.4 | 0 | 111.5 | I172 E173 A178 G179 L190 | I172-K176 PolarHBondContact O-N 2.89Å; E173-K176 WeakPolarHBondContact O-CB 3.39Å; E173-K176 PolarHBondContact O-N 3.33Å; K176-A178 VanDerWaalsContact C-N 3.33Å; K176-G179 PolarHBondContact O-N 2.97Å; K176-G179 VanDerWaalsContact O-N 3.17Å; K176-L190 HydrophobicContact CD-CD1 3.82Å |
| 177 | Q | 94.1 | Very high | 94.5 | Very high | 168 Ų | 168 | 92.1 Ų | 92.1 | 79% | 0.785 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66.5 | -33.6 | 175.6 | -71.7 | 178 | -0.8 | 0 | 0 | 112.5 | E173 K174 G179 | E173-Q177 WeakPolarHBondContact O-CG 3.3Å; E173-Q177 PolarHBondContact O-N 3.16Å; K174-Q177 PolarHBondContact O-N 2.95Å; Q177-G179 PolarHBondContact O-N 3.41Å |
| 178 | A | 94.7 | Very high | 94.5 | Very high | 85 Ų | 85 | 91.7 Ų | 91.7 | 70% | 0.702 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -4.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K174 K175 K176 | K174-A178 WeakPolarHBondContact O-CB 3.37Å; K174-A178 PolarHBondContact O-N 3.34Å; K175-A178 PolarHBondContact O-N 2.93Å; K176-A178 VanDerWaalsContact C-N 3.33Å |
| 179 | G | 90.6 | Very high | 94.4 | Very high | 65 Ų | 65 | 90 Ų | 90 | 67% | 0.67 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 16.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K175 K176 Q177 | K175-G179 PolarHBondContact O-N 3.2Å; K176-G179 PolarHBondContact O-N 2.97Å; K176-G179 VanDerWaalsContact O-N 3.17Å; Q177-G179 PolarHBondContact O-N 3.41Å |
| 180 | E | 90.2 | Very high | 94.3 | Very high | 114 Ų | 114 | 91.1 Ų | 91.1 | 53% | 0.533 | 47% | 0.467 | S | S | . | . | trans | -73.9 | 138.7 | 178 | -165.4 | 179.5 | 175.6 | 0 | 0 | 111.4 | K175 L182 | K175-E180 HydrophobicContact CB-CB 4.37Å; K175-E180 WeakPolarHBondContact CD-OE2 3.45Å; K175-E180 WeakPolarHBondContact CG-OE2 3.29Å; K175-E180 WeakPolarHBondContact O-CB 3.17Å; K175-E180 PolarHBondContact O-N 3.39Å; K175-E180 VanDerWaalsContact O-N 3.07Å; E180-L182 PolarHBondContact O-N 3.01Å | ||
| 181 | N | 89.8 | Confident | 94.2 | Very high | 157 Ų | 157 | 89.9 Ų | 89.9 | 84% | 0.84 | 48% | 0.477 | S | S | * | . | trans | -67.8 | 115.1 | 178.3 | -75.7 | -47.6 | 0 | 0 | 0 | 111.1 | ||||
| 182 | L | 90.9 | Very high | 94.1 | Very high | 37 Ų | 37 | 88.7 Ų | 88.7 | 19% | 0.194 | 47% | 0.472 | C | S | . | . | trans | -89.9 | 137.5 | -171.6 | -148.5 | 74.1 | 0 | 0 | 0 | 113 | I172 E180 Q186 L187 L190 | I172-L182 HydrophobicContact CG2-CD1 3.78Å; I172-L182 HydrophobicContact CG2-CD2 3.7Å; I172-L182 HydrophobicContact CG2-CG 4.25Å; E180-L182 PolarHBondContact O-N 3.01Å; L182-Q186 HydrophobicContact CD1-CB 3.84Å; L182-Q186 HydrophobicContact CD1-CG 4.27Å; L182-Q186 HydrophobicContact CD2-CB 3.64Å; L182-Q186 HydrophobicContact CG-CB 3.41Å; L182-Q186 VanDerWaalsContact CG-CB 3.41Å; L182-Q186 HydrophobicContact CG-CG 4.29Å; L182-L187 HydrophobicContact CB-CD2 4.49Å; L182-L187 HydrophobicContact CD2-CD2 3.83Å; L182-L187 HydrophobicContact CD2-CG 4.07Å; L182-L190 HydrophobicContact CD2-CD1 3.49Å; L182-L190 VanDerWaalsContact CD2-CD1 3.49Å; L182-L190 HydrophobicContact CD2-CG 4.25Å | ||
| 183 | N | 93.3 | Very high | 94.1 | Very high | 108 Ų | 108 | 90.8 Ų | 90.8 | 58% | 0.578 | 48% | 0.48 | S | S | * | . | trans | -72.1 | 157.7 | 176.5 | -71.7 | -64.3 | 0 | 0 | 0 | 112.2 | D185 Q186 L187 | N183-D185 VanDerWaalsContact C-N 3.27Å; N183-D185 PolarHBondContact O-N 3.48Å; N183-Q186 HydrophobicContact CB-CG 4.33Å; N183-Q186 PolarHBondContact ND2-OE1 3Å; N183-Q186 WeakPolarHBondContact O-CB 3.21Å; N183-Q186 PolarHBondContact O-N 3.03Å; N183-L187 PolarHBondContact O-N 3.05Å | ||
| 184 | K | 95 | Very high | 94.2 | Very high | 182 Ų | 182 | 95 Ų | 95 | 79% | 0.791 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -54.3 | -41 | 176.6 | -63.9 | -173.3 | 179.6 | -173.5 | 0 | 113.1 | L187 I188 | K184-L187 PolarHBondContact O-N 2.87Å; K184-I188 WeakPolarHBondContact O-CG1 3.47Å; K184-I188 PolarHBondContact O-N 3.03Å; K184-I188 VanDerWaalsContact O-N 3.17Å |
| 185 | D | 95 | Very high | 94.2 | Very high | 90 Ų | 90 | 90.4 Ų | 90.4 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -38.1 | 177.2 | 179.1 | 68.1 | 0 | 0 | 0 | 112.7 | N183 I188 K189 | N183-D185 VanDerWaalsContact C-N 3.27Å; N183-D185 PolarHBondContact O-N 3.48Å; D185-I188 PolarHBondContact O-N 3.26Å; D185-K189 WeakPolarHBondContact O-CG 3.21Å; D185-K189 PolarHBondContact O-N 3.36Å; D185-K189 VanDerWaalsContact OD2-CE 3.24Å; D185-K189 WeakPolarHBondContact OD2-CE 3.47Å; D185-K189 IonicContact OD2-NZ 2.73Å; D185-K189 PolarHBondContact OD2-NZ 3.31Å |
| 186 | Q | 95.9 | Very high | 94.3 | Very high | 34 Ų | 34 | 87.5 Ų | 87.5 | 16% | 0.159 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 178.7 | -73.3 | 172.2 | -46.9 | 0 | 0 | 111.3 | I172 L182 N183 I188 K189 L190 | I172-Q186 HydrophobicContact CD1-CB 4.26Å; I172-Q186 HydrophobicContact CD1-CG 4.01Å; I172-Q186 HydrophobicContact CG1-CG 4.24Å; I172-Q186 HydrophobicContact CG2-CB 3.91Å; I172-Q186 HydrophobicContact CG2-CG 4.4Å; L182-Q186 HydrophobicContact CD1-CB 3.84Å; L182-Q186 HydrophobicContact CD1-CG 4.27Å; L182-Q186 HydrophobicContact CD2-CB 3.64Å; L182-Q186 HydrophobicContact CG-CB 3.41Å; L182-Q186 VanDerWaalsContact CG-CB 3.41Å; L182-Q186 HydrophobicContact CG-CG 4.29Å; N183-Q186 HydrophobicContact CB-CG 4.33Å; N183-Q186 PolarHBondContact ND2-OE1 3Å; N183-Q186 WeakPolarHBondContact O-CB 3.21Å; N183-Q186 PolarHBondContact O-N 3.03Å; Q186-I188 VanDerWaalsContact C-N 3.34Å; Q186-I188 PolarHBondContact O-N 3.23Å; Q186-K189 WeakPolarHBondContact O-CB 3.49Å; Q186-K189 PolarHBondContact O-N 2.94Å; Q186-L190 WeakPolarHBondContact O-CG 3.14Å; Q186-L190 PolarHBondContact O-N 3.45Å |
| 187 | L | 94.4 | Very high | 94.4 | Very high | 95 Ų | 95 | 85.1 Ų | 85.1 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 172.3 | -70.3 | 169.9 | 0 | 0 | 0 | 112 | L182 N183 K184 L190 G191 | L182-L187 HydrophobicContact CB-CD2 4.49Å; L182-L187 HydrophobicContact CD2-CD2 3.83Å; L182-L187 HydrophobicContact CD2-CG 4.07Å; N183-L187 PolarHBondContact O-N 3.05Å; K184-L187 PolarHBondContact O-N 2.87Å; L187-L190 PolarHBondContact O-N 3.27Å; L187-G191 PolarHBondContact O-N 3.08Å; L187-G191 VanDerWaalsContact O-N 3.13Å |
| 188 | I | 95.5 | Very high | 94.5 | Very high | 100 Ų | 100 | 82.4 Ų | 82.4 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 175 | -65.7 | 164.4 | 0 | 0 | 0 | 110.2 | K184 D185 Q186 L190 G191 H192 | K184-I188 WeakPolarHBondContact O-CG1 3.47Å; K184-I188 PolarHBondContact O-N 3.03Å; K184-I188 VanDerWaalsContact O-N 3.17Å; D185-I188 PolarHBondContact O-N 3.26Å; Q186-I188 VanDerWaalsContact C-N 3.34Å; Q186-I188 PolarHBondContact O-N 3.23Å; I188-L190 VanDerWaalsContact C-N 3.33Å; I188-L190 PolarHBondContact O-N 3.17Å; I188-G191 PolarHBondContact O-N 3.45Å; I188-G191 VanDerWaalsContact O-N 3.12Å; I188-H192 PolarHBondContact O-CD2 3.22Å; I188-H192 PolarHBondContact O-N 2.81Å |
| 189 | K | 95.8 | Very high | 94.5 | Very high | 52 Ų | 52 | 81 Ų | 81 | 23% | 0.226 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 176.6 | -75.3 | 169.7 | 177 | 162.6 | 0 | 112.7 | I169 I172 D185 Q186 G191 H192 | I169-K189 WeakPolarHBondContact CD1-O 3.24Å; I169-K189 HydrophobicContact CG1-CB 4.38Å; I172-K189 HydrophobicContact CD1-CB 4.02Å; I172-K189 HydrophobicContact CD1-CD 3.75Å; D185-K189 WeakPolarHBondContact O-CG 3.21Å; D185-K189 PolarHBondContact O-N 3.36Å; D185-K189 VanDerWaalsContact OD2-CE 3.24Å; D185-K189 WeakPolarHBondContact OD2-CE 3.47Å; D185-K189 IonicContact OD2-NZ 2.73Å; D185-K189 PolarHBondContact OD2-NZ 3.31Å; Q186-K189 WeakPolarHBondContact O-CB 3.49Å; Q186-K189 PolarHBondContact O-N 2.94Å; K189-G191 VanDerWaalsContact C-N 3.33Å; K189-G191 PolarHBondContact O-N 3.36Å; K189-H192 PolarHBondContact O-N 3.33Å; K189-H192 VanDerWaalsContact O-N 3.15Å |
| 190 | L | 94.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 78.8 Ų | 78.8 | 13% | 0.131 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 173.9 | -72.1 | -177.8 | 0 | 0 | 0 | 112.1 | I169 I172 E173 K176 L182 Q186 L187 I188 H192 K193 | I169-L190 HydrophobicContact CG2-CD2 4.16Å; I172-L190 HydrophobicContact CB-CD2 4.14Å; I172-L190 HydrophobicContact CG2-CD1 4.01Å; I172-L190 HydrophobicContact CG2-CD2 3.64Å; I172-L190 HydrophobicContact CG2-CG 3.63Å; E173-L190 HydrophobicContact CB-CD2 4.28Å; E173-L190 HydrophobicContact CG-CD2 3.27Å; K176-L190 HydrophobicContact CD-CD1 3.82Å; L182-L190 HydrophobicContact CD2-CD1 3.49Å; L182-L190 VanDerWaalsContact CD2-CD1 3.49Å; L182-L190 HydrophobicContact CD2-CG 4.25Å; Q186-L190 WeakPolarHBondContact O-CG 3.14Å; Q186-L190 PolarHBondContact O-N 3.45Å; L187-L190 PolarHBondContact O-N 3.27Å; I188-L190 VanDerWaalsContact C-N 3.33Å; I188-L190 PolarHBondContact O-N 3.17Å; L190-H192 PolarHBondContact O-N 3.25Å; L190-K193 WeakPolarHBondContact O-CB 3.23Å; L190-K193 PolarHBondContact O-N 3.18Å |
| 191 | G | 94.3 | Very high | 95.1 | Very high | 61 Ų | 61 | 79.1 Ų | 79.1 | 63% | 0.629 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.3 | -22.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L187 I188 K189 | L187-G191 PolarHBondContact O-N 3.08Å; L187-G191 VanDerWaalsContact O-N 3.13Å; I188-G191 PolarHBondContact O-N 3.45Å; I188-G191 VanDerWaalsContact O-N 3.12Å; K189-G191 VanDerWaalsContact C-N 3.33Å; K189-G191 PolarHBondContact O-N 3.36Å |
| 192 | H | 94.8 | Very high | 95.3 | Very high | 81 Ų | 81 | 77.1 Ų | 77.1 | 38% | 0.375 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.6 | -178.7 | -70.9 | -149.6 | 0 | 0 | 0 | 113.6 | R165 I188 K189 L190 Q194 A195 V196 | R165-H192 PolarHBondContact NH2-ND1 3.26Å; R165-H192 VanDerWaalsContact NH2-ND1 3.17Å; I188-H192 PolarHBondContact O-CD2 3.22Å; I188-H192 PolarHBondContact O-N 2.81Å; K189-H192 PolarHBondContact O-N 3.33Å; K189-H192 VanDerWaalsContact O-N 3.15Å; L190-H192 PolarHBondContact O-N 3.25Å; H192-Q194 PolarHBondContact O-N 2.7Å; H192-A195 PolarHBondContact O-N 3.44Å; H192-A195 VanDerWaalsContact O-N 3.15Å; H192-V196 WeakPolarHBondContact O-CG2 3.48Å; H192-V196 PolarHBondContact O-N 2.92Å; H192-V196 VanDerWaalsContact O-N 3.1Å |
| 193 | K | 96.2 | Very high | 95.5 | Very high | 50 Ų | 50 | 75.7 Ų | 75.7 | 22% | 0.217 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -52.2 | -52.4 | -175.8 | -175.5 | 171.4 | 173.4 | -179.1 | 0 | 112.9 | L166 I169 E173 L190 A195 V196 E197 | L166-K193 HydrophobicContact CD1-CG 4.44Å; I169-K193 HydrophobicContact CG2-CB 3.84Å; I169-K193 HydrophobicContact CG2-CD 4.06Å; I169-K193 HydrophobicContact CG2-CG 3.98Å; E173-K193 WeakPolarHBondContact OE1-CD 3.11Å; E173-K193 IonicContact OE1-NZ 2.71Å; E173-K193 PolarHBondContact OE1-NZ 3.14Å; E173-K193 IonicContact OE2-NZ 2.72Å; E173-K193 PolarHBondContact OE2-NZ 3.33Å; L190-K193 WeakPolarHBondContact O-CB 3.23Å; L190-K193 PolarHBondContact O-N 3.18Å; K193-A195 VanDerWaalsContact C-N 3.29Å; K193-A195 PolarHBondContact O-N 3.08Å; K193-V196 PolarHBondContact O-N 3.5Å; K193-V196 VanDerWaalsContact O-N 3.1Å; K193-E197 WeakPolarHBondContact CE-OE1 3.47Å; K193-E197 WeakPolarHBondContact O-CG 3.4Å; K193-E197 PolarHBondContact O-N 3.2Å |
| 194 | Q | 96.7 | Very high | 95.5 | Very high | 143 Ų | 143 | 73.3 Ų | 73.3 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.7 | -38 | -178.9 | -67.3 | -179.7 | -36.4 | 0 | 0 | 112.4 | H192 V196 E197 Q198 | H192-Q194 PolarHBondContact O-N 2.7Å; Q194-V196 VanDerWaalsContact C-N 3.35Å; Q194-E197 PolarHBondContact O-N 3.41Å; Q194-Q198 WeakPolarHBondContact O-CB 3.43Å; Q194-Q198 VanDerWaalsContact O-CG 3.27Å; Q194-Q198 WeakPolarHBondContact O-CG 3.04Å; Q194-Q198 PolarHBondContact O-N 3.34Å |
| 195 | A | 96.5 | Very high | 95.3 | Very high | 57 Ų | 57 | 69 Ų | 69 | 47% | 0.471 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H192 K193 L199 | H192-A195 PolarHBondContact O-N 3.44Å; H192-A195 VanDerWaalsContact O-N 3.15Å; K193-A195 VanDerWaalsContact C-N 3.29Å; K193-A195 PolarHBondContact O-N 3.08Å; A195-L199 WeakPolarHBondContact O-CB 3.28Å; A195-L199 PolarHBondContact O-N 3.42Å; A195-L199 VanDerWaalsContact O-N 3.08Å |
| 196 | V | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.012 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 175.8 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | E162 R165 L166 I169 H192 K193 Q194 L199 I200 | E162-V196 HydrophobicContact CB-CG1 4.3Å; R165-V196 HydrophobicContact CB-CG1 4.31Å; R165-V196 HydrophobicContact CG-CG2 3.96Å; L166-V196 HydrophobicContact CB-CG1 4.04Å; I169-V196 HydrophobicContact CD1-CB 4.5Å; I169-V196 HydrophobicContact CD1-CG2 3.96Å; H192-V196 WeakPolarHBondContact O-CG2 3.48Å; H192-V196 PolarHBondContact O-N 2.92Å; H192-V196 VanDerWaalsContact O-N 3.1Å; K193-V196 PolarHBondContact O-N 3.5Å; K193-V196 VanDerWaalsContact O-N 3.1Å; Q194-V196 VanDerWaalsContact C-N 3.35Å; V196-L199 PolarHBondContact O-N 2.96Å; V196-I200 HydrophobicContact CG1-CD1 4.01Å; V196-I200 VanDerWaalsContact O-CG1 3.29Å; V196-I200 WeakPolarHBondContact O-CG1 3.02Å; V196-I200 PolarHBondContact O-N 3.2Å |
| 197 | E | 97 | Very high | 94.8 | Very high | 81 Ų | 81 | 73 Ų | 73 | 38% | 0.379 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 176.6 | -70.6 | 170.3 | 171.5 | 0 | 0 | 111.8 | L166 K193 Q194 L199 I200 E201 | L166-E197 HydrophobicContact CD1-CG 3.84Å; K193-E197 WeakPolarHBondContact CE-OE1 3.47Å; K193-E197 WeakPolarHBondContact O-CG 3.4Å; K193-E197 PolarHBondContact O-N 3.2Å; Q194-E197 PolarHBondContact O-N 3.41Å; E197-L199 VanDerWaalsContact C-N 3.31Å; E197-L199 PolarHBondContact O-N 2.75Å; E197-I200 PolarHBondContact O-N 2.84Å; E197-E201 PolarHBondContact O-N 3.3Å |
| 198 | Q | 97 | Very high | 94.4 | Very high | 111 Ų | 111 | 73.8 Ų | 73.8 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.2 | -40.4 | 176 | -74.3 | 174.7 | -2.8 | 0 | 0 | 112.3 | Q194 E201 Q202 | Q194-Q198 WeakPolarHBondContact O-CB 3.43Å; Q194-Q198 VanDerWaalsContact O-CG 3.27Å; Q194-Q198 WeakPolarHBondContact O-CG 3.04Å; Q194-Q198 PolarHBondContact O-N 3.34Å; Q198-E201 PolarHBondContact O-N 2.83Å; Q198-Q202 WeakPolarHBondContact O-CB 3.28Å; Q198-Q202 VanDerWaalsContact O-CG 3.29Å; Q198-Q202 WeakPolarHBondContact O-CG 3.48Å; Q198-Q202 PolarHBondContact O-N 2.68Å |
| 199 | L | 94.9 | Very high | 93.2 | Very high | 57 Ų | 57 | 77.7 Ų | 77.7 | 30% | 0.298 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68 | -38.2 | 178.4 | -177.7 | 58.1 | 0 | 0 | 0 | 111.6 | E162 A195 V196 E197 Q202 L203 | E162-L199 HydrophobicContact CG-CD2 3.68Å; E162-L199 HydrophobicContact CG-CG 4.08Å; A195-L199 WeakPolarHBondContact O-CB 3.28Å; A195-L199 PolarHBondContact O-N 3.42Å; A195-L199 VanDerWaalsContact O-N 3.08Å; V196-L199 PolarHBondContact O-N 2.96Å; E197-L199 VanDerWaalsContact C-N 3.31Å; E197-L199 PolarHBondContact O-N 2.75Å; L199-Q202 PolarHBondContact O-N 3.25Å; L199-L203 HydrophobicContact CD1-CD1 4.18Å; L199-L203 HydrophobicContact CD1-CG 4.16Å; L199-L203 HydrophobicContact CG-CD1 4.02Å; L199-L203 HydrophobicContact CG-CG 4.44Å; L199-L203 WeakPolarHBondContact O-CB 3.5Å; L199-L203 WeakPolarHBondContact O-CG 3.31Å; L199-L203 PolarHBondContact O-N 2.7Å |
| 200 | I | 96.6 | Very high | 93.1 | Very high | 18 Ų | 18 | 79 Ų | 79 | 9% | 0.092 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61 | -48.8 | 172.8 | -69.1 | 165.3 | 0 | 0 | 0 | 109.6 | L159 E162 L166 V196 E197 Q202 L203 T204 | L159-I200 HydrophobicContact CD2-CG2 4.25Å; E162-I200 HydrophobicContact CB-CD1 4.15Å; E162-I200 HydrophobicContact CB-CG1 3.62Å; L166-I200 HydrophobicContact CB-CD1 4.18Å; L166-I200 HydrophobicContact CD2-CD1 3.92Å; V196-I200 HydrophobicContact CG1-CD1 4.01Å; V196-I200 VanDerWaalsContact O-CG1 3.29Å; V196-I200 WeakPolarHBondContact O-CG1 3.02Å; V196-I200 PolarHBondContact O-N 3.2Å; E197-I200 PolarHBondContact O-N 2.84Å; I200-Q202 PolarHBondContact O-N 3.2Å; I200-L203 PolarHBondContact O-N 2.89Å; I200-T204 HydrophobicContact CG2-CG2 4.22Å; I200-T204 VanDerWaalsContact O-CG2 3.31Å; I200-T204 WeakPolarHBondContact O-CG2 3.4Å; I200-T204 PolarHBondContact O-N 2.79Å; I200-T204 PolarHBondContact O-OG1 2.81Å |
| 201 | E | 95.7 | Very high | 93.1 | Very high | 121 Ų | 121 | 81.8 Ų | 81.8 | 57% | 0.565 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -56.2 | -49.7 | 177.9 | -173.3 | 179.6 | -173 | 0 | 0 | 111.5 | E197 Q198 L203 T204 L205 | E197-E201 PolarHBondContact O-N 3.3Å; Q198-E201 PolarHBondContact O-N 2.83Å; E201-L203 PolarHBondContact O-N 3.41Å; E201-T204 WeakPolarHBondContact CA-OG1 3.45Å; E201-T204 PolarHBondContact O-N 2.77Å; E201-T204 PolarHBondContact O-OG1 2.87Å; E201-L205 HydrophobicContact CG-CD1 4.25Å; E201-L205 WeakPolarHBondContact O-CG 3.37Å; E201-L205 PolarHBondContact O-N 2.8Å |
| 202 | Q | 95 | Very high | 93 | Very high | 114 Ų | 114 | 82.9 Ų | 82.9 | 53% | 0.533 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 176.4 | -73.2 | 174.3 | 3 | 0 | 0 | 112.5 | Q198 L199 I200 T204 L205 L206 | Q198-Q202 WeakPolarHBondContact O-CB 3.28Å; Q198-Q202 VanDerWaalsContact O-CG 3.29Å; Q198-Q202 WeakPolarHBondContact O-CG 3.48Å; Q198-Q202 PolarHBondContact O-N 2.68Å; L199-Q202 PolarHBondContact O-N 3.25Å; I200-Q202 PolarHBondContact O-N 3.2Å; Q202-T204 VanDerWaalsContact C-N 3.32Å; Q202-T204 PolarHBondContact O-N 3.22Å; Q202-L205 PolarHBondContact O-N 2.95Å; Q202-L206 VanDerWaalsContact O-CG 3.32Å; Q202-L206 WeakPolarHBondContact O-CG 3.19Å; Q202-L206 PolarHBondContact O-N 2.77Å |
| 203 | L | 94 | Very high | 92.9 | Very high | 8 Ų | 8 | 83.1 Ų | 83.1 | 4% | 0.042 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.9 | -33.2 | 178.9 | -70.8 | 172.2 | 0 | 0 | 0 | 112.3 | I155 Q158 L159 E162 L199 I200 E201 K207 | I155-L203 HydrophobicContact CG2-CB 4.36Å; I155-L203 HydrophobicContact CG2-CD2 4.35Å; I155-L203 WeakPolarHBondContact CG2-O 3.47Å; Q158-L203 HydrophobicContact CB-CD1 3.63Å; Q158-L203 HydrophobicContact CB-CD2 4.24Å; L159-L203 HydrophobicContact CD2-CB 3.52Å; L159-L203 HydrophobicContact CD2-CD1 4.36Å; L159-L203 HydrophobicContact CG-CB 3.84Å; L159-L203 HydrophobicContact CG-CD1 4.48Å; E162-L203 HydrophobicContact CG-CD1 4.37Å; L199-L203 HydrophobicContact CD1-CD1 4.18Å; L199-L203 HydrophobicContact CD1-CG 4.16Å; L199-L203 HydrophobicContact CG-CD1 4.02Å; L199-L203 HydrophobicContact CG-CG 4.44Å; L199-L203 WeakPolarHBondContact O-CB 3.5Å; L199-L203 WeakPolarHBondContact O-CG 3.31Å; L199-L203 PolarHBondContact O-N 2.7Å; I200-L203 PolarHBondContact O-N 2.89Å; E201-L203 PolarHBondContact O-N 3.41Å; L203-K207 WeakPolarHBondContact O-CB 3.31Å; L203-K207 PolarHBondContact O-N 3.05Å; L203-K207 VanDerWaalsContact O-N 3.08Å |
| 204 | T | 93.4 | Very high | 92.7 | Very high | 58 Ų | 58 | 85.1 Ų | 85.1 | 36% | 0.356 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 173.5 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | L159 I200 E201 Q202 L206 K207 T208 | L159-T204 HydrophobicContact CD2-CG2 3.8Å; I200-T204 HydrophobicContact CG2-CG2 4.22Å; I200-T204 VanDerWaalsContact O-CG2 3.31Å; I200-T204 WeakPolarHBondContact O-CG2 3.4Å; I200-T204 PolarHBondContact O-N 2.79Å; I200-T204 PolarHBondContact O-OG1 2.81Å; E201-T204 WeakPolarHBondContact CA-OG1 3.45Å; E201-T204 PolarHBondContact O-N 2.77Å; E201-T204 PolarHBondContact O-OG1 2.87Å; Q202-T204 VanDerWaalsContact C-N 3.32Å; Q202-T204 PolarHBondContact O-N 3.22Å; T204-L206 VanDerWaalsContact C-N 3.33Å; T204-L206 PolarHBondContact O-N 3.4Å; T204-K207 WeakPolarHBondContact O-CB 3.45Å; T204-K207 PolarHBondContact O-N 3.2Å; T204-K207 VanDerWaalsContact O-N 3.1Å; T204-T208 PolarHBondContact O-N 3.09Å; T204-T208 VanDerWaalsContact O-N 3.13Å; T204-T208 PolarHBondContact O-OG1 2.77Å |
| 205 | L | 92.6 | Very high | 92.4 | Very high | 90 Ų | 90 | 81.3 Ų | 81.3 | 47% | 0.471 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 175.3 | -70.9 | 168.5 | 0 | 0 | 0 | 112.1 | E201 Q202 K207 T208 N209 | E201-L205 HydrophobicContact CG-CD1 4.25Å; E201-L205 WeakPolarHBondContact O-CG 3.37Å; E201-L205 PolarHBondContact O-N 2.8Å; Q202-L205 PolarHBondContact O-N 2.95Å; L205-K207 VanDerWaalsContact C-N 3.26Å; L205-K207 PolarHBondContact O-N 3.19Å; L205-T208 WeakPolarHBondContact CA-OG1 3.41Å; L205-T208 PolarHBondContact O-N 2.83Å; L205-T208 PolarHBondContact O-OG1 3.34Å; L205-N209 PolarHBondContact O-N 3.25Å; L205-N209 PolarHBondContact O-ND2 2.86Å |
| 206 | L | 90.2 | Very high | 92.1 | Very high | 102 Ų | 102 | 83 Ų | 83 | 53% | 0.534 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.3 | -20.3 | 175.3 | -71.9 | 174.5 | 0 | 0 | 0 | 113.5 | I155 Q202 T204 | I155-L206 HydrophobicContact CD1-CB 4.18Å; Q202-L206 VanDerWaalsContact O-CG 3.32Å; Q202-L206 WeakPolarHBondContact O-CG 3.19Å; Q202-L206 PolarHBondContact O-N 2.77Å; T204-L206 VanDerWaalsContact C-N 3.33Å; T204-L206 PolarHBondContact O-N 3.4Å |
| 207 | K | 88.6 | Confident | 91.8 | Very high | 108 Ų | 108 | 89.2 Ų | 89.2 | 47% | 0.47 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -82.8 | -30.5 | 175.6 | -174.3 | 173.9 | 176.1 | 177.5 | 0 | 112 | I155 D156 L159 L203 T204 L205 | I155-K207 HydrophobicContact CG2-CB 4.01Å; D156-K207 WeakPolarHBondContact OD1-CD 3.46Å; D156-K207 WeakPolarHBondContact OD1-CE 3.16Å; D156-K207 IonicContact OD1-NZ 3.66Å; D156-K207 PolarHBondContact OD1-NZ 2.95Å; D156-K207 IonicContact OD2-NZ 2.71Å; L159-K207 HydrophobicContact CD1-CD 3.92Å; L203-K207 WeakPolarHBondContact O-CB 3.31Å; L203-K207 PolarHBondContact O-N 3.05Å; L203-K207 VanDerWaalsContact O-N 3.08Å; T204-K207 WeakPolarHBondContact O-CB 3.45Å; T204-K207 PolarHBondContact O-N 3.2Å; T204-K207 VanDerWaalsContact O-N 3.1Å; L205-K207 VanDerWaalsContact C-N 3.26Å; L205-K207 PolarHBondContact O-N 3.19Å |
| 208 | T | 86.4 | Confident | 91.3 | Very high | 111 Ų | 111 | 89.9 Ų | 89.9 | 68% | 0.681 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -83.4 | -25.8 | -178.7 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | T204 L205 | T204-T208 PolarHBondContact O-N 3.09Å; T204-T208 VanDerWaalsContact O-N 3.13Å; T204-T208 PolarHBondContact O-OG1 2.77Å; L205-T208 WeakPolarHBondContact CA-OG1 3.41Å; L205-T208 PolarHBondContact O-N 2.83Å; L205-T208 PolarHBondContact O-OG1 3.34Å |
| 209 | N | 71.5 | Confident | 90.8 | Very high | 181 Ų | 181 | 88 Ų | 88 | 97% | 0.968 | 46% | 0.455 | S | S | * | . | trans | -90.9 | 0 | 174.4 | -66.2 | -49.4 | 0 | 0 | 0 | 111.2 | L205 | L205-N209 PolarHBondContact O-N 3.25Å; L205-N209 PolarHBondContact O-ND2 2.86Å |
Retrieved 209 of 209 residues in 216.3 ms
(Link to these results)