| 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 | 24.8 | Very low | 26.6 | Very low | 247 Ų | 247 | 158.6 Ų | 158.6 | 100% | 1.217 | 84% | 0.841 | S | S | * | * | 0 | 157.3 | 0 | -82.1 | 168.6 | 161.6 | 0 | 0 | 108.4 | |||||
| 2 | T | 23.7 | Very low | 26.5 | Very low | 125 Ų | 125 | 161.3 Ų | 161.3 | 77% | 0.767 | 85% | 0.845 | S | S | * | * | trans | -57.4 | 149.3 | -172.1 | 41.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3 | R | 24.5 | Very low | 26.4 | Very low | 228 Ų | 228 | 160.8 Ų | 160.8 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | trans | 56.6 | 115.2 | 148.9 | -65.3 | 175.3 | 176.4 | 179.1 | -2.2 | 118.4 | ||||
| 4 | L | 31 | Very low | 26.4 | Very low | 161 Ų | 161 | 162 Ų | 162 | 84% | 0.843 | 84% | 0.843 | S | S | * | * | -167.8 | 169.2 | 88.3 | -99.2 | 171.9 | 0 | 0 | 0 | 110.9 | |||||
| 5 | S | 26.9 | Very low | 26.5 | Very low | 90 Ų | 90 | 159.7 Ų | 159.7 | 63% | 0.629 | 83% | 0.831 | S | S | * | * | trans | -143.1 | 170.1 | -174.3 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 6 | E | 28.5 | Very low | 26.8 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | trans | 88.5 | 135.5 | 166.6 | -51.1 | -164.1 | 155.5 | 0 | 0 | 119.2 | ||||
| 7 | Q | 26.2 | Very low | 26.9 | Very low | 161 Ų | 161 | 154.6 Ų | 154.6 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | 63.5 | 129 | 157.1 | -62.5 | 167.6 | 52.3 | 0 | 0 | 116.9 | ||||
| 8 | E | 29.4 | Very low | 26.9 | Very low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | -137.6 | 174 | 54.2 | -81.3 | -173.5 | 144.8 | 0 | 0 | 115.4 | |||||
| 9 | N | 25.6 | Very low | 26.9 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | trans | -95 | 131.8 | -178.2 | -62.4 | -75.5 | 0 | 0 | 0 | 111.9 | ||||
| 10 | G | 27 | Very low | 26.9 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -145 | 128 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 11 | T | 25 | Very low | 27.2 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | -85.7 | 121.5 | -178.8 | 48.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 12 | E | 25.8 | Very low | 27.9 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 89% | 0.893 | 70% | 0.695 | S | S | * | * | trans | -167.3 | 172.6 | 148.1 | -109.6 | 154.5 | -142.3 | 0 | 0 | 110.7 | ||||
| 13 | N | 24.9 | Very low | 29.6 | Very low | 155 Ų | 155 | 127 Ų | 127 | 83% | 0.829 | 67% | 0.674 | S | S | * | * | trans | -92.5 | -175.5 | -162.8 | -63.3 | -57.2 | 0 | 0 | 0 | 114.2 | ||||
| 14 | E | 26.6 | Very low | 32 | Very low | 177 Ų | 177 | 116.1 Ų | 116.1 | 83% | 0.827 | 63% | 0.633 | S | S | * | * | trans | 76.9 | 65.5 | 165.2 | -56.6 | -178.8 | -178 | 0 | 0 | 118 | H16 | E14-H16 PolarHBondContact O-N 2.84Š| ||
| 15 | L | 28.5 | Very low | 34.7 | Very low | 128 Ų | 128 | 110.4 Ų | 110.4 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | trans | -80.3 | 88.1 | 162.7 | -87.6 | 150.7 | 0 | 0 | 0 | 111.5 | Y1716 | L15-Y1716 HydrophobicContact CD2-CE1 4.45Š| ||
| 16 | H | 30.1 | Very low | 37.6 | Very low | 161 Ų | 161 | 106.2 Ų | 106.2 | 75% | 0.745 | 58% | 0.576 | S | S | * | * | trans | -73.1 | 154.5 | 174.5 | -110.2 | -88.5 | 0 | 0 | 0 | 113.3 | E14 P18 | E14-H16 PolarHBondContact O-N 2.84Å; H16-P18 VanDerWaalsContact O-CD 3.25Å; H16-P18 WeakPolarHBondContact O-CD 3.34Å | ||
| 17 | D | 28.1 | Very low | 40.5 | Very low | 71 Ų | 71 | 98.7 Ų | 98.7 | 38% | 0.38 | 54% | 0.541 | S | S | . | . | trans | -72.5 | 115.2 | -175.4 | -169.5 | -6.7 | 0 | 0 | 0 | 112.8 | G19 T20 | D17-G19 PolarHBondContact O-N 3.14Å; D17-G19 PolarHBondContact OD1-N 3.15Å; D17-G19 VanDerWaalsContact OD1-N 3.15Å; D17-T20 WeakPolarHBondContact O-CA 3.38Å; D17-T20 VanDerWaalsContact O-CB 3.29Å; D17-T20 WeakPolarHBondContact O-CB 3.34Å; D17-T20 PolarHBondContact O-N 3.49Å; D17-T20 PolarHBondContact O-OG1 3.15Å | ||
| 18 | P | 27 | Very low | 43.7 | Very low | 26 Ų | 26 | 91.2 Ų | 91.2 | 17% | 0.169 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 21.4 | 178.3 | 33.5 | -37.3 | 0 | 0 | 0 | 114 | H16 Y21 S1680 N1682 | H16-P18 VanDerWaalsContact O-CD 3.25Å; H16-P18 WeakPolarHBondContact O-CD 3.34Å; P18-Y21 WeakPolarHBondContact O-CE2 3.34Å; P18-S1680 PolarHBondContact O-OG 3.42Å; P18-N1682 HydrophobicContact CB-CB 4.17Å; P18-N1682 HydrophobicContact CG-CB 3.23Å; P18-N1682 VanDerWaalsContact CG-CG 3.41Å; P18-N1682 VanDerWaalsContact CG-ND2 3.34Å; P18-N1682 WeakPolarHBondContact CG-ND2 3.17Å |
| 19 | G | 28.2 | Very low | 46.7 | Very low | 49 Ų | 49 | 82.2 Ų | 82.2 | 51% | 0.505 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.5 | 146.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D17 S1680 | D17-G19 PolarHBondContact O-N 3.14Å; D17-G19 PolarHBondContact OD1-N 3.15Å; D17-G19 VanDerWaalsContact OD1-N 3.15Å; G19-S1680 PolarHBondContact N-OG 3.28Å |
| 20 | T | 27 | Very low | 49.9 | Very low | 92 Ų | 92 | 74.1 Ų | 74.1 | 56% | 0.564 | 42% | 0.42 | S | S | * | . | trans | -124.8 | 57.1 | -162 | -38.1 | 0 | 0 | 0 | 0 | 112.2 | D17 C22 | D17-T20 WeakPolarHBondContact O-CA 3.38Å; D17-T20 VanDerWaalsContact O-CB 3.29Å; D17-T20 WeakPolarHBondContact O-CB 3.34Å; D17-T20 PolarHBondContact O-N 3.49Å; D17-T20 PolarHBondContact O-OG1 3.15Å; T20-C22 PolarHBondContact O-N 3.06Å | ||
| 21 | Y | 33.3 | Very low | 52.8 | Low | 108 Ų | 108 | 72.8 Ų | 72.8 | 42% | 0.424 | 39% | 0.391 | S | S | . | . | trans | -54.7 | 108.4 | 172.7 | -73.6 | -93.8 | 0 | 0 | 0 | 110.6 | P18 T23 W238 Y1716 | P18-Y21 WeakPolarHBondContact O-CE2 3.34Å; Y21-T23 VanDerWaalsContact O-CA 3.31Å; Y21-T23 WeakPolarHBondContact O-CA 3.47Å; Y21-T23 WeakPolarHBondContact O-CG2 3.46Å; Y21-T23 PolarHBondContact O-N 3.29Å; Y21-T23 VanDerWaalsContact O-N 3.09Å; Y21-W238 HydrophobicContact CE1-CZ3 4.48Å; Y21-W238 WeakPolarHBondContact OH-CH2 3.35Å; Y21-Y1716 WeakPolarHBondContact CE1-OXT 3.29Å | ||
| 22 | C | 38.1 | Very low | 55.4 | Low | 84 Ų | 84 | 66.4 Ų | 66.4 | 57% | 0.568 | 35% | 0.353 | S | S | * | . | trans | -55 | 119 | 171.4 | -80.1 | 0 | 0 | 0 | 0 | 108.7 | T20 G24 V25 F53 | T20-C22 PolarHBondContact O-N 3.06Å; C22-G24 PolarHBondContact O-N 3.47Å; C22-V25 HydrophobicContact CB-CG2 4.17Å; C22-V25 PolarHBondContact O-N 2.77Å; C22-F53 HydrophobicContact CB-CD2 4.2Å | ||
| 23 | T | 60.7 | Low | 57.7 | Low | 51 Ų | 51 | 60 Ų | 60 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | 19.5 | -134.7 | 21.8 | 0 | 0 | 0 | 0 | 116.7 | Y21 L288 Q290 | Y21-T23 VanDerWaalsContact O-CA 3.31Å; Y21-T23 WeakPolarHBondContact O-CA 3.47Å; Y21-T23 WeakPolarHBondContact O-CG2 3.46Å; Y21-T23 PolarHBondContact O-N 3.29Å; Y21-T23 VanDerWaalsContact O-N 3.09Å; T23-L288 WeakPolarHBondContact CB-O 3.38Å; T23-L288 WeakPolarHBondContact O-CB 3.03Å; T23-L288 PolarHBondContact OG1-O 2.93Å; T23-Q290 PolarHBondContact OG1-N 3.12Å |
| 24 | G | 74.5 | Confident | 59.8 | Low | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -151.6 | 12.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | C22 G26 C27 | C22-G24 PolarHBondContact O-N 3.47Å; G24-G26 PolarHBondContact O-N 3.44Å; G24-C27 WeakPolarHBondContact O-CB 3.17Å; G24-C27 PolarHBondContact O-N 3.48Å |
| 25 | V | 86.5 | Confident | 62.2 | Low | 41 Ų | 41 | 50.5 Ų | 50.5 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 133.7 | 173 | 174.3 | 0 | 0 | 0 | 0 | 109.5 | C22 C27 R51 F53 T88 | C22-V25 HydrophobicContact CB-CG2 4.17Å; C22-V25 PolarHBondContact O-N 2.77Å; V25-C27 VanDerWaalsContact C-N 3.31Å; V25-R51 WeakPolarHBondContact CG1-O 3.34Å; V25-F53 HydrophobicContact CG2-CD2 3.88Å; V25-F53 HydrophobicContact CG2-CE2 3.98Å; V25-T88 WeakPolarHBondContact O-CG2 3.33Å |
| 26 | G | 88.3 | Confident | 64.2 | Low | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -7.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115.5 | G24 R28 V50 G259 | G24-G26 PolarHBondContact O-N 3.44Å; G26-R28 PolarHBondContact O-N 3.44Å; G26-V50 PolarHBondContact N-O 3.02Å; G26-G259 WeakPolarHBondContact CA-O 3.28Å |
| 27 | C | 89.8 | Confident | 66.1 | Low | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | trans | -58.5 | 136.9 | 176.3 | -87.6 | 0 | 0 | 0 | 0 | 111.3 | G24 V25 V29 S49 V50 V82 T88 L288 | G24-C27 WeakPolarHBondContact O-CB 3.17Å; G24-C27 PolarHBondContact O-N 3.48Å; V25-C27 VanDerWaalsContact C-N 3.31Å; C27-V29 HydrophobicContact CB-CG1 4.4Å; C27-S49 WeakPolarHBondContact O-CA 3.46Å; C27-V50 HydrophobicContact CB-CG2 4.36Å; C27-V50 PolarHBondContact O-N 3.1Å; C27-V82 HydrophobicContact CB-CG1 4.25Å; C27-T88 HydrophobicContact CB-CG2 4.25Å; C27-T88 VanDerWaalsContact N-CG2 3.35Å; C27-T88 WeakPolarHBondContact SG-CG2 3.4Å; C27-L288 HydrophobicContact CB-CD1 4.45Å; C27-L288 WeakPolarHBondContact SG-CD1 2.84Å | ||
| 28 | R | 92.4 | Very high | 68.2 | Low | 5 Ų | 5 | 53.4 Ų | 53.4 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 118.7 | 173.8 | -57.8 | -70.2 | -72.6 | 159.4 | 1.7 | 107.8 | G26 V47 G48 S49 D64 L83 D84 P87 | G26-R28 PolarHBondContact O-N 3.44Å; R28-V47 HydrophobicContact CB-CG1 4.08Å; R28-G48 CarbonylContact C-O 3.48Å; R28-G48 VanDerWaalsContact CA-O 3.26Å; R28-G48 WeakPolarHBondContact CA-O 3.33Å; R28-S49 WeakPolarHBondContact CD-OG 3.5Å; R28-S49 PolarHBondContact NH1-OG 3.21Å; R28-D64 IonicContact CZ-OD1 3.76Å; R28-D64 VanDerWaalsContact CZ-OD1 3.26Å; R28-D64 IonicContact CZ-OD2 3.44Å; R28-D64 IonicContact NH1-OD1 2.68Å; R28-D64 PolarHBondContact NH1-OD1 2.94Å; R28-D64 IonicContact NH2-OD1 2.97Å; R28-D64 PolarHBondContact NH2-OD1 3.19Å; R28-D64 IonicContact NH2-OD2 2.78Å; R28-D64 PolarHBondContact NH2-OD2 3.17Å; R28-L83 WeakPolarHBondContact O-CA 3.21Å; R28-L83 PolarHBondContact O-N 2.97Å; R28-D84 HydrophobicContact CB-CB 4.17Å; R28-D84 WeakPolarHBondContact CB-O 3.43Å; R28-D84 PolarHBondContact N-O 2.76Å; R28-D84 PolarHBondContact O-N 3.17Å; R28-P87 HydrophobicContact CG-CG 3.92Å |
| 29 | V | 92.6 | Very high | 70.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 156.2 | -170 | -70.3 | 0 | 0 | 0 | 0 | 112.5 | C27 V47 G48 V50 V61 L80 R81 L285 | C27-V29 HydrophobicContact CB-CG1 4.4Å; V29-V47 WeakPolarHBondContact O-CA 3.22Å; V29-G48 PolarHBondContact N-O 3.39Å; V29-G48 PolarHBondContact O-N 3.15Å; V29-V50 HydrophobicContact CG1-CG2 3.64Å; V29-V50 HydrophobicContact CG2-CG2 4.06Å; V29-V61 HydrophobicContact CG2-CG1 3.83Å; V29-V61 HydrophobicContact CG2-CG2 3.93Å; V29-L80 HydrophobicContact CG2-CD2 4.49Å; V29-R81 CarbonylContact C-O 3.47Å; V29-R81 VanDerWaalsContact CA-O 3.27Å; V29-R81 WeakPolarHBondContact CA-O 3.3Å; V29-R81 WeakPolarHBondContact CB-O 3.27Å; V29-L285 HydrophobicContact CG1-CD1 4.12Å; V29-L285 HydrophobicContact CG1-CD2 4.44Å |
| 30 | V | 92.6 | Very high | 72.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 159.2 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 108.9 | V47 R81 L83 Y277 L282 | V30-V47 HydrophobicContact CG1-CG2 4.04Å; V30-R81 HydrophobicContact CG2-CB 4.28Å; V30-R81 PolarHBondContact N-O 2.8Å; V30-R81 PolarHBondContact O-N 2.99Å; V30-L83 HydrophobicContact CG1-CB 4.08Å; V30-L83 HydrophobicContact CG1-CD2 3.89Å; V30-L83 HydrophobicContact CG1-CG 4.47Å; V30-L83 HydrophobicContact CG2-CB 4.43Å; V30-Y277 HydrophobicContact CG1-CE1 4.43Å; V30-Y277 HydrophobicContact CG2-CE2 3.83Å; V30-L282 HydrophobicContact CG2-CD1 3.74Å |
| 31 | R | 88.6 | Confident | 74.7 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 19% | 0.185 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 144.1 | 174.4 | 69.8 | -172.3 | -148.7 | 150.2 | 11.4 | 113.1 | W35 D41 E44 | R31-W35 HydrophobicContact CB-CB 4.41Å; R31-W35 HydrophobicContact CB-CD2 3.73Å; R31-W35 HydrophobicContact CB-CE3 3.47Å; R31-W35 VanDerWaalsContact CB-CE3 3.47Å; R31-W35 HydrophobicContact CB-CG 4.18Å; R31-W35 HydrophobicContact CB-CH2 4.38Å; R31-W35 HydrophobicContact CB-CZ3 3.82Å; R31-D41 WeakPolarHBondContact CD-OD2 3.24Å; R31-E44 IonicContact CZ-OE1 3.71Å; R31-E44 IonicContact NE-OE1 2.76Å; R31-E44 PolarHBondContact NE-OE1 3.06Å; R31-E44 VanDerWaalsContact NH2-CD 3.27Å; R31-E44 IonicContact NH2-OE1 3.63Å; R31-E44 PolarHBondContact NH2-OE1 2.78Å; R31-E44 IonicContact NH2-OE2 3.43Å |
| 32 | G | 80.6 | Confident | 76.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | trans | -74.7 | 174.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | W35 D79 | G32-W35 WeakPolarHBondContact O-CB 3.35Å; G32-D79 PolarHBondContact N-O 2.9Å | ||
| 33 | P | 72.7 | Confident | 79 | Confident | 56 Ų | 56 | 51 Ų | 51 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -34.4 | 174.9 | -12.5 | 30.1 | 0 | 0 | 0 | 111.3 | W35 V279 D280 | P33-W35 PolarHBondContact O-N 3.04Å; P33-W35 VanDerWaalsContact O-N 3.11Å; P33-V279 HydrophobicContact CG-CG1 4.42Å; P33-D280 VanDerWaalsContact CG-OD1 3.23Å; P33-D280 WeakPolarHBondContact CG-OD1 3.32Å |
| 34 | D | 69.8 | Low | 80.2 | Confident | 104 Ų | 104 | 51.8 Ų | 51.8 | 56% | 0.556 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 15.8 | -177.6 | -49.4 | -75.8 | 0 | 0 | 0 | 113.8 | K36 | D34-K36 PolarHBondContact O-N 2.76Š|
| 35 | W | 76.2 | Confident | 80.9 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | trans | -68.1 | 120.7 | -174.5 | 177.7 | -84.9 | 0 | 0 | 0 | 112.5 | R31 G32 P33 W37 N38 D41 W63 Y71 D79 L80 | R31-W35 HydrophobicContact CB-CB 4.41Å; R31-W35 HydrophobicContact CB-CD2 3.73Å; R31-W35 HydrophobicContact CB-CE3 3.47Å; R31-W35 VanDerWaalsContact CB-CE3 3.47Å; R31-W35 HydrophobicContact CB-CG 4.18Å; R31-W35 HydrophobicContact CB-CH2 4.38Å; R31-W35 HydrophobicContact CB-CZ3 3.82Å; G32-W35 WeakPolarHBondContact O-CB 3.35Å; P33-W35 PolarHBondContact O-N 3.04Å; P33-W35 VanDerWaalsContact O-N 3.11Å; W35-W37 HydrophobicContact CZ2-CB 4.27Å; W35-N38 PolarHBondContact NE1-O 3.37Å; W35-D41 HydrophobicContact CH2-CB 3.91Å; W35-D41 HydrophobicContact CZ2-CB 3.89Å; W35-W63 HydrophobicContact CH2-CZ2 4Å; W35-W63 HydrophobicContact CZ3-CZ2 4.4Å; W35-Y71 AromaticContact CH2-CD1 3.92Å; W35-Y71 HydrophobicContact CH2-CD1 3.92Å; W35-Y71 AromaticContact CH2-CE1 3.22Å; W35-Y71 HydrophobicContact CH2-CE1 3.22Å; W35-Y71 AromaticContact CH2-CZ 3.72Å; W35-Y71 HydrophobicContact CZ2-CE1 4.12Å; W35-Y71 AromaticContact CZ3-CD1 3.75Å; W35-Y71 HydrophobicContact CZ3-CD1 3.75Å; W35-Y71 AromaticContact CZ3-CE1 3.57Å; W35-Y71 HydrophobicContact CZ3-CE1 3.57Å; W35-D79 HydrophobicContact CE3-CB 4.23Å; W35-D79 HydrophobicContact CZ3-CB 4.41Å; W35-L80 HydrophobicContact CZ3-CD2 4.17Å | ||
| 36 | K | 71.8 | Confident | 81.2 | Confident | 168 Ų | 168 | 51.7 Ų | 51.7 | 73% | 0.73 | 25% | 0.253 | S | S | * | . | trans | -109.1 | -4.9 | -176.5 | -68 | 168.1 | -170.8 | -177.3 | 0 | 114 | D34 N38 | D34-K36 PolarHBondContact O-N 2.76Å; K36-N38 PolarHBondContact O-N 3.44Å | ||
| 37 | W | 68.5 | Low | 81.5 | Confident | 113 Ų | 113 | 51.7 Ų | 51.7 | 43% | 0.428 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -95.8 | 40.3 | -165.2 | -52.8 | 105.9 | 0 | 0 | 0 | 114.9 | W35 K39 Q40 D79 | W35-W37 HydrophobicContact CZ2-CB 4.27Å; W37-K39 PolarHBondContact O-N 2.95Å; W37-Q40 PolarHBondContact O-OE1 2.81Å; W37-D79 PolarHBondContact NE1-OD1 3.44Å; W37-D79 PolarHBondContact NE1-OD2 3.47Å; W37-D79 VanDerWaalsContact NE1-OD2 3.08Å |
| 38 | N | 72.5 | Confident | 81.6 | Confident | 139 Ų | 139 | 51.6 Ų | 51.6 | 74% | 0.743 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -127.9 | 179.9 | -70.1 | -49.8 | 0 | 0 | 0 | 113.6 | W35 K36 | W35-N38 PolarHBondContact NE1-O 3.37Å; K36-N38 PolarHBondContact O-N 3.44Å |
| 39 | K | 74.4 | Confident | 81.6 | Confident | 162 Ų | 162 | 51.4 Ų | 51.4 | 70% | 0.704 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123 | 38.1 | -178.6 | -66.1 | -171.1 | 179 | -177.7 | 0 | 112.9 | W37 D41 G42 | W37-K39 PolarHBondContact O-N 2.95Å; K39-D41 VanDerWaalsContact C-OD1 3.27Å; K39-D41 WeakPolarHBondContact CA-OD1 3.22Å; K39-D41 PolarHBondContact O-N 3.15Å; K39-G42 PolarHBondContact O-N 3.27Å; K39-G42 VanDerWaalsContact O-N 3.11Å |
| 40 | Q | 70.9 | Confident | 81.6 | Confident | 108 Ų | 108 | 51.4 Ų | 51.4 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.7 | 179.3 | -68.8 | 174.7 | -38.1 | 0 | 0 | 113.3 | W37 I67 | W37-Q40 PolarHBondContact O-OE1 2.81Å; Q40-I67 WeakPolarHBondContact O-CD1 3.43Å |
| 41 | D | 74.2 | Confident | 81.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.9 | 175.2 | 57.5 | -20.6 | 0 | 0 | 0 | 114.3 | R31 W35 K39 G43 H46 W63 | R31-D41 WeakPolarHBondContact CD-OD2 3.24Å; W35-D41 HydrophobicContact CH2-CB 3.91Å; W35-D41 HydrophobicContact CZ2-CB 3.89Å; K39-D41 VanDerWaalsContact C-OD1 3.27Å; K39-D41 WeakPolarHBondContact CA-OD1 3.22Å; K39-D41 PolarHBondContact O-N 3.15Å; D41-G43 VanDerWaalsContact CG-N 3.32Å; D41-G43 VanDerWaalsContact OD1-CA 3.32Å; D41-G43 WeakPolarHBondContact OD1-CA 3.49Å; D41-G43 PolarHBondContact OD1-N 3.41Å; D41-H46 WeakPolarHBondContact O-CB 3.49Å; D41-W63 HydrophobicContact CB-CD2 3.96Å; D41-W63 HydrophobicContact CB-CE3 4.16Å; D41-W63 HydrophobicContact CB-CH2 3.96Å; D41-W63 HydrophobicContact CB-CZ2 3.71Å; D41-W63 HydrophobicContact CB-CZ3 4.17Å |
| 42 | G | 77 | Confident | 81.4 | Confident | 38 Ų | 38 | 59.3 Ų | 59.3 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 96.2 | -7.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K39 H46 | K39-G42 PolarHBondContact O-N 3.27Å; K39-G42 VanDerWaalsContact O-N 3.11Å; G42-H46 PolarHBondContact O-CE1 3.47Å; G42-H46 VanDerWaalsContact O-CE1 3.23Å; G42-H46 PolarHBondContact O-ND1 2.89Å |
| 43 | G | 84.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 94 | -178.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D41 G45 H46 | D41-G43 VanDerWaalsContact CG-N 3.32Å; D41-G43 VanDerWaalsContact OD1-CA 3.32Å; D41-G43 WeakPolarHBondContact OD1-CA 3.49Å; D41-G43 PolarHBondContact OD1-N 3.41Å; G43-G45 PolarHBondContact O-N 2.83Å; G43-H46 WeakPolarHBondContact O-CB 3.36Å; G43-H46 PolarHBondContact O-N 3.16Å; G43-H46 PolarHBondContact O-ND1 3.05Å |
| 44 | E | 86.5 | Confident | 81.3 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 31% | 0.313 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 137.7 | -171.5 | -165.5 | 144.6 | -100.5 | 0 | 0 | 114.4 | R31 H46 R156 V158 | R31-E44 IonicContact CZ-OE1 3.71Å; R31-E44 IonicContact NE-OE1 2.76Å; R31-E44 PolarHBondContact NE-OE1 3.06Å; R31-E44 VanDerWaalsContact NH2-CD 3.27Å; R31-E44 IonicContact NH2-OE1 3.63Å; R31-E44 PolarHBondContact NH2-OE1 2.78Å; R31-E44 IonicContact NH2-OE2 3.43Å; E44-H46 VanDerWaalsContact C-N 3.34Å; E44-R156 VanDerWaalsContact CD-NH1 3.31Å; E44-R156 IonicContact OE1-CZ 2.94Å; E44-R156 IonicContact OE1-NH1 3.45Å; E44-R156 PolarHBondContact OE1-NH1 3.44Å; E44-R156 IonicContact OE1-NH2 3.61Å; E44-R156 PolarHBondContact OE1-NH2 3.5Å; E44-R156 IonicContact OE2-CZ 2.73Å; E44-R156 IonicContact OE2-NH1 2.71Å; E44-R156 PolarHBondContact OE2-NH1 3.23Å; E44-R156 IonicContact OE2-NH2 3.85Å; E44-V158 HydrophobicContact CG-CB 4.47Å; E44-V158 HydrophobicContact CG-CG1 3.62Å; E44-V158 HydrophobicContact CG-CG2 3.94Å |
| 45 | G | 89 | Confident | 80.7 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -21.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | G43 E159 S160 L161 | G43-G45 PolarHBondContact O-N 2.83Å; G45-E159 WeakPolarHBondContact CA-O 3.35Å; G45-S160 CarbonylContact O-C 3.42Å; G45-S160 WeakPolarHBondContact O-CA 3.39Å; G45-L161 PolarHBondContact O-N 3.4Å |
| 46 | H | 92.6 | Very high | 80 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 139.8 | -179.9 | -69.9 | 82 | 0 | 0 | 0 | 112 | D41 G42 G43 E44 W63 L161 | D41-H46 WeakPolarHBondContact O-CB 3.49Å; G42-H46 PolarHBondContact O-CE1 3.47Å; G42-H46 VanDerWaalsContact O-CE1 3.23Å; G42-H46 PolarHBondContact O-ND1 2.89Å; G43-H46 WeakPolarHBondContact O-CB 3.36Å; G43-H46 PolarHBondContact O-N 3.16Å; G43-H46 PolarHBondContact O-ND1 3.05Å; E44-H46 VanDerWaalsContact C-N 3.34Å; H46-W63 WeakPolarHBondContact O-CZ3 3.25Å; H46-L161 WeakPolarHBondContact CA-O 3.49Å |
| 47 | V | 93.6 | Very high | 79.9 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | trans | -108.8 | 143.6 | -177.1 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | R28 V29 V30 D64 L83 L161 F164 | R28-V47 HydrophobicContact CB-CG1 4.08Å; V29-V47 WeakPolarHBondContact O-CA 3.22Å; V30-V47 HydrophobicContact CG1-CG2 4.04Å; V47-D64 VanDerWaalsContact O-CB 3.28Å; V47-D64 WeakPolarHBondContact O-CB 3.31Å; V47-D64 PolarHBondContact O-N 3.48Å; V47-L83 HydrophobicContact CG1-CD2 4.18Å; V47-L83 HydrophobicContact CG2-CD2 3.56Å; V47-L161 PolarHBondContact N-O 2.85Å; V47-F164 HydrophobicContact CG2-CE2 3.88Å; V47-F164 HydrophobicContact CG2-CZ 4.06Å | ||
| 48 | G | 93 | Very high | 80.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 172.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R28 V29 V62 | R28-G48 CarbonylContact C-O 3.48Å; R28-G48 VanDerWaalsContact CA-O 3.26Å; R28-G48 WeakPolarHBondContact CA-O 3.33Å; V29-G48 PolarHBondContact N-O 3.39Å; V29-G48 PolarHBondContact O-N 3.15Å; G48-V62 CarbonylContact C-O 3.47Å; G48-V62 WeakPolarHBondContact CA-O 3.4Å |
| 49 | S | 92.9 | Very high | 81 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136 | 170.6 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | C27 R28 R51 V61 V62 G259 V264 | C27-S49 WeakPolarHBondContact O-CA 3.46Å; R28-S49 WeakPolarHBondContact CD-OG 3.5Å; R28-S49 PolarHBondContact NH1-OG 3.21Å; S49-R51 PolarHBondContact O-N 3.05Å; S49-V61 WeakPolarHBondContact O-CA 3.29Å; S49-V62 PolarHBondContact N-O 3.26Å; S49-V62 PolarHBondContact O-N 3.47Å; S49-G259 WeakPolarHBondContact OG-CA 3.25Å; S49-V264 WeakPolarHBondContact OG-CG2 3.24Å |
| 50 | V | 91.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 116.7 | 169.5 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | G26 C27 V29 F53 A59 V61 G262 L285 | G26-V50 PolarHBondContact N-O 3.02Å; C27-V50 HydrophobicContact CB-CG2 4.36Å; C27-V50 PolarHBondContact O-N 3.1Å; V29-V50 HydrophobicContact CG1-CG2 3.64Å; V29-V50 HydrophobicContact CG2-CG2 4.06Å; V50-F53 HydrophobicContact CG1-CE1 4.21Å; V50-F53 HydrophobicContact CG1-CE2 4.22Å; V50-F53 HydrophobicContact CG1-CZ 3.99Å; V50-A59 HydrophobicContact CG1-CB 4.38Å; V50-V61 HydrophobicContact CG2-CG2 4.35Å; V50-G262 VanDerWaalsContact O-CA 3.24Å; V50-G262 WeakPolarHBondContact O-CA 3.47Å; V50-L285 HydrophobicContact CG2-CD1 3.95Å; V50-L285 HydrophobicContact CG2-CD2 3.79Å |
| 51 | R | 89.8 | Confident | 82.6 | Confident | 83 Ų | 83 | 36.3 Ų | 36.3 | 31% | 0.313 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | -51.2 | 179.8 | -170.9 | -175.7 | -166.6 | 80.4 | -4.6 | 112 | V25 S49 I60 V62 D174 | V25-R51 WeakPolarHBondContact CG1-O 3.34Å; S49-R51 PolarHBondContact O-N 3.05Å; R51-I60 HydrophobicContact CB-CB 4.45Å; R51-I60 HydrophobicContact CB-CG2 4.43Å; R51-I60 PolarHBondContact N-O 3.17Å; R51-V62 HydrophobicContact CB-CG2 4.22Å; R51-D174 IonicContact CZ-OD1 3.18Å; R51-D174 IonicContact CZ-OD2 3.49Å; R51-D174 IonicContact NH1-OD1 3.43Å; R51-D174 PolarHBondContact NH1-OD1 3Å; R51-D174 IonicContact NH1-OD2 3.19Å; R51-D174 PolarHBondContact NH1-OD2 2.97Å; R51-D174 IonicContact NH2-OD1 2.71Å; R51-D174 PolarHBondContact NH2-OD1 3.16Å |
| 52 | R | 87.1 | Confident | 83.4 | Confident | 133 Ų | 133 | 36.4 Ų | 36.4 | 50% | 0.502 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 167 | 178.2 | 68.8 | 175.8 | -154.7 | 179.1 | 5.4 | 110.1 | D54 I60 | R52-D54 IonicContact CZ-OD1 3.7Å; R52-D54 IonicContact CZ-OD2 3.87Å; R52-D54 IonicContact NE-OD1 2.69Å; R52-D54 PolarHBondContact NE-OD1 2.95Å; R52-D54 IonicContact NE-OD2 3.31Å; R52-D54 VanDerWaalsContact NH2-CG 3.3Å; R52-D54 IonicContact NH2-OD1 3.39Å; R52-D54 PolarHBondContact NH2-OD1 3.21Å; R52-D54 IonicContact NH2-OD2 3.06Å; R52-D54 PolarHBondContact NH2-OD2 3.12Å; R52-I60 HydrophobicContact CG-CB 4.23Å; R52-I60 HydrophobicContact CG-CD1 4.09Å; R52-I60 HydrophobicContact CG-CG1 4.09Å; R52-I60 PolarHBondContact O-N 2.88Å |
| 53 | F | 81 | Confident | 84.2 | Confident | 36 Ų | 36 | 34.7 Ų | 34.7 | 16% | 0.158 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 141.6 | 166.6 | -63.6 | -78.7 | 0 | 0 | 0 | 109.3 | C22 V25 V50 A59 L285 | C22-F53 HydrophobicContact CB-CD2 4.2Å; V25-F53 HydrophobicContact CG2-CD2 3.88Å; V25-F53 HydrophobicContact CG2-CE2 3.98Å; V50-F53 HydrophobicContact CG1-CE1 4.21Å; V50-F53 HydrophobicContact CG1-CE2 4.22Å; V50-F53 HydrophobicContact CG1-CZ 3.99Å; F53-A59 HydrophobicContact CD1-CB 3.77Å; F53-A59 HydrophobicContact CE1-CB 3.92Å; F53-L285 HydrophobicContact CE1-CD1 4.24Å; F53-L285 HydrophobicContact CE1-CD2 3.97Å; F53-L285 HydrophobicContact CE1-CG 3.95Å; F53-L285 HydrophobicContact CZ-CD1 4.06Å; F53-L285 HydrophobicContact CZ-CG 4.28Å |
| 54 | D | 70.6 | Confident | 84.6 | Confident | 33 Ų | 33 | 34.7 Ų | 34.7 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 151.4 | 171 | -66.4 | 7.9 | 0 | 0 | 0 | 108.6 | R52 S56 G57 E58 | R52-D54 IonicContact CZ-OD1 3.7Å; R52-D54 IonicContact CZ-OD2 3.87Å; R52-D54 IonicContact NE-OD1 2.69Å; R52-D54 PolarHBondContact NE-OD1 2.95Å; R52-D54 IonicContact NE-OD2 3.31Å; R52-D54 VanDerWaalsContact NH2-CG 3.3Å; R52-D54 IonicContact NH2-OD1 3.39Å; R52-D54 PolarHBondContact NH2-OD1 3.21Å; R52-D54 IonicContact NH2-OD2 3.06Å; R52-D54 PolarHBondContact NH2-OD2 3.12Å; D54-S56 PolarHBondContact O-N 2.82Å; D54-G57 PolarHBondContact O-N 3.24Å; D54-E58 PolarHBondContact N-O 2.93Å |
| 55 | T | 57.6 | Low | 84.8 | Confident | 151 Ų | 151 | 32.9 Ų | 32.9 | 93% | 0.926 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.4 | -171 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | G57 | T55-G57 PolarHBondContact O-N 3.4Š|
| 56 | S | 61.9 | Low | 84.6 | Confident | 78 Ų | 78 | 33.9 Ų | 33.9 | 55% | 0.545 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -5.5 | 177.5 | 56.3 | 0 | 0 | 0 | 0 | 115.9 | D54 | D54-S56 PolarHBondContact O-N 2.82Š|
| 57 | G | 69.7 | Low | 84.4 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 16.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D54 T55 C73 | D54-G57 PolarHBondContact O-N 3.24Å; T55-G57 PolarHBondContact O-N 3.4Å; G57-C73 CarbonylContact O-C 3.59Å; G57-C73 VanDerWaalsContact O-C 3.32Å; G57-C73 PolarHBondContact O-N 3.31Å; G57-C73 PolarHBondContact O-SG 3.31Å; G57-C73 VanDerWaalsContact O-SG 3.37Å |
| 58 | E | 77.5 | Confident | 84.1 | Confident | 66 Ų | 66 | 38.3 Ų | 38.3 | 31% | 0.308 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 158.8 | 173.8 | -64.8 | -171.4 | 174.9 | 0 | 0 | 112.6 | D54 N70 Y71 R289 | D54-E58 PolarHBondContact N-O 2.93Å; E58-N70 WeakPolarHBondContact OE2-CB 3.45Å; E58-N70 PolarHBondContact OE2-ND2 3.4Å; E58-Y71 CarbonylContact C-O 3.57Å; E58-Y71 WeakPolarHBondContact CA-O 3.32Å; E58-R289 PolarHBondContact O-NH2 3.39Å |
| 59 | A | 85 | Confident | 83.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V50 F53 N70 Y71 C73 L285 | V50-A59 HydrophobicContact CG1-CB 4.38Å; F53-A59 HydrophobicContact CD1-CB 3.77Å; F53-A59 HydrophobicContact CE1-CB 3.92Å; A59-N70 WeakPolarHBondContact O-CA 3.31Å; A59-Y71 PolarHBondContact N-O 3.38Å; A59-Y71 PolarHBondContact O-N 2.98Å; A59-C73 HydrophobicContact CB-CB 4.47Å; A59-C73 VanDerWaalsContact CB-SG 3.52Å; A59-C73 PolarHBondContact N-SG 3.35Å; A59-L285 HydrophobicContact CB-CD2 3.71Å |
| 60 | I | 88.2 | Confident | 83.4 | Confident | 20 Ų | 20 | 43 Ų | 43 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.5 | 172.9 | -51.3 | -163.9 | 0 | 0 | 0 | 108.1 | R51 R52 V68 N70 | R51-I60 HydrophobicContact CB-CB 4.45Å; R51-I60 HydrophobicContact CB-CG2 4.43Å; R51-I60 PolarHBondContact N-O 3.17Å; R52-I60 HydrophobicContact CG-CB 4.23Å; R52-I60 HydrophobicContact CG-CD1 4.09Å; R52-I60 HydrophobicContact CG-CG1 4.09Å; R52-I60 PolarHBondContact O-N 2.88Å; I60-V68 HydrophobicContact CG2-CG1 3.63Å; I60-N70 WeakPolarHBondContact CG1-OD1 3.16Å |
| 61 | V | 90.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.3 | -179.5 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | V29 S49 V50 W63 V68 A69 Y71 L80 | V29-V61 HydrophobicContact CG2-CG1 3.83Å; V29-V61 HydrophobicContact CG2-CG2 3.93Å; S49-V61 WeakPolarHBondContact O-CA 3.29Å; V50-V61 HydrophobicContact CG2-CG2 4.35Å; V61-W63 HydrophobicContact CG1-CD2 3.98Å; V61-W63 HydrophobicContact CG1-CE3 4.41Å; V61-W63 HydrophobicContact CG1-CG 4.33Å; V61-W63 HydrophobicContact CG1-CZ2 4.11Å; V61-V68 WeakPolarHBondContact O-CA 3.31Å; V61-A69 PolarHBondContact N-O 3.27Å; V61-A69 PolarHBondContact O-N 2.89Å; V61-A69 VanDerWaalsContact O-N 3.11Å; V61-Y71 HydrophobicContact CB-CD2 4Å; V61-Y71 HydrophobicContact CB-CE2 4.09Å; V61-Y71 HydrophobicContact CG2-CD2 3.93Å; V61-Y71 HydrophobicContact CG2-CE2 4.49Å; V61-L80 HydrophobicContact CG2-CD1 3.53Å |
| 62 | V | 92.6 | Very high | 82.5 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 106 | 164.8 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | G48 S49 R51 V68 I173 V264 | G48-V62 CarbonylContact C-O 3.47Å; G48-V62 WeakPolarHBondContact CA-O 3.4Å; S49-V62 PolarHBondContact N-O 3.26Å; S49-V62 PolarHBondContact O-N 3.47Å; R51-V62 HydrophobicContact CB-CG2 4.22Å; V62-V68 HydrophobicContact CB-CG2 4.49Å; V62-V68 HydrophobicContact CG1-CG2 4.29Å; V62-V68 HydrophobicContact CG2-CG1 4.37Å; V62-V68 HydrophobicContact CG2-CG2 4.02Å; V62-I173 HydrophobicContact CG1-CG2 4.01Å; V62-V264 HydrophobicContact CB-CG2 4.06Å; V62-V264 HydrophobicContact CG1-CB 3.98Å; V62-V264 HydrophobicContact CG1-CG2 4.03Å |
| 63 | W | 92.9 | Very high | 81.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 149.2 | 173.9 | -64.1 | 103.6 | 0 | 0 | 0 | 111 | W35 D41 H46 V61 S65 G66 I67 Y71 L80 | W35-W63 HydrophobicContact CH2-CZ2 4Å; W35-W63 HydrophobicContact CZ3-CZ2 4.4Å; D41-W63 HydrophobicContact CB-CD2 3.96Å; D41-W63 HydrophobicContact CB-CE3 4.16Å; D41-W63 HydrophobicContact CB-CH2 3.96Å; D41-W63 HydrophobicContact CB-CZ2 3.71Å; D41-W63 HydrophobicContact CB-CZ3 4.17Å; H46-W63 WeakPolarHBondContact O-CZ3 3.25Å; V61-W63 HydrophobicContact CG1-CD2 3.98Å; V61-W63 HydrophobicContact CG1-CE3 4.41Å; V61-W63 HydrophobicContact CG1-CG 4.33Å; V61-W63 HydrophobicContact CG1-CZ2 4.11Å; W63-S65 WeakPolarHBondContact CB-OG 3.32Å; W63-S65 PolarHBondContact O-N 3.26Å; W63-G66 WeakPolarHBondContact O-CA 3.31Å; W63-G66 PolarHBondContact O-N 3.28Å; W63-I67 HydrophobicContact CB-CB 4.35Å; W63-I67 PolarHBondContact N-O 3.31Å; W63-Y71 AromaticContact CE2-CE2 3.87Å; W63-Y71 HydrophobicContact CZ2-CD2 4.49Å; W63-Y71 AromaticContact CZ2-CE2 3.82Å; W63-Y71 HydrophobicContact CZ2-CE2 3.82Å; W63-Y71 AromaticContact CZ2-CZ 3.93Å; W63-Y71 AromaticContact NE1-CE2 3.36Å; W63-Y71 AromaticContact NE1-CZ 3.51Å; W63-Y71 PolarHBondContact NE1-OH 3.02Å; W63-L80 HydrophobicContact CH2-CD2 3.88Å; W63-L80 HydrophobicContact CZ2-CD2 4.01Å |
| 64 | D | 93.8 | Very high | 80.9 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.5 | 179 | -76.5 | -2.1 | 0 | 0 | 0 | 113.6 | R28 V47 G66 G162 L163 A268 | R28-D64 IonicContact CZ-OD1 3.76Å; R28-D64 VanDerWaalsContact CZ-OD1 3.26Å; R28-D64 IonicContact CZ-OD2 3.44Å; R28-D64 IonicContact NH1-OD1 2.68Å; R28-D64 PolarHBondContact NH1-OD1 2.94Å; R28-D64 IonicContact NH2-OD1 2.97Å; R28-D64 PolarHBondContact NH2-OD1 3.19Å; R28-D64 IonicContact NH2-OD2 2.78Å; R28-D64 PolarHBondContact NH2-OD2 3.17Å; V47-D64 VanDerWaalsContact O-CB 3.28Å; V47-D64 WeakPolarHBondContact O-CB 3.31Å; V47-D64 PolarHBondContact O-N 3.48Å; D64-G66 PolarHBondContact O-N 2.85Å; D64-G162 VanDerWaalsContact OD2-CA 3.26Å; D64-G162 WeakPolarHBondContact OD2-CA 3.49Å; D64-L163 HydrophobicContact CB-CD1 4.29Å; D64-L163 HydrophobicContact CB-CG 3.9Å; D64-L163 WeakPolarHBondContact OD1-CD1 3.42Å; D64-L163 PolarHBondContact OD2-N 3.32Å; D64-A268 WeakPolarHBondContact O-CB 3.41Å; D64-A268 PolarHBondContact O-N 3.38Å |
| 65 | S | 89.9 | Confident | 80.2 | Confident | 29 Ų | 29 | 40 Ų | 40 | 20% | 0.203 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -4.3 | 169.9 | 55.4 | 0 | 0 | 0 | 0 | 114 | W63 K267 | W63-S65 WeakPolarHBondContact CB-OG 3.32Å; W63-S65 PolarHBondContact O-N 3.26Å; S65-K267 WeakPolarHBondContact O-CE 3.48Å; S65-K267 PolarHBondContact O-NZ 2.82Å |
| 66 | G | 85.6 | Confident | 80 | Confident | 21 Ų | 21 | 39.6 Ų | 39.6 | 22% | 0.216 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 70.8 | 28.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | W63 D64 | W63-G66 WeakPolarHBondContact O-CA 3.31Å; W63-G66 PolarHBondContact O-N 3.28Å; D64-G66 PolarHBondContact O-N 2.85Å |
| 67 | I | 86.9 | Confident | 80 | Confident | 71 Ų | 71 | 36.9 Ų | 36.9 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | trans | -95.2 | 133.6 | 169.5 | -61.1 | 173.5 | 0 | 0 | 0 | 107.6 | Q40 W63 | Q40-I67 WeakPolarHBondContact O-CD1 3.43Å; W63-I67 HydrophobicContact CB-CB 4.35Å; W63-I67 PolarHBondContact N-O 3.31Å | ||
| 68 | V | 88.5 | Confident | 79.9 | Confident | 61 Ų | 61 | 39.9 Ų | 39.9 | 37% | 0.37 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 132.5 | 173.3 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | I60 V61 V62 I173 | I60-V68 HydrophobicContact CG2-CG1 3.63Å; V61-V68 WeakPolarHBondContact O-CA 3.31Å; V62-V68 HydrophobicContact CB-CG2 4.49Å; V62-V68 HydrophobicContact CG1-CG2 4.29Å; V62-V68 HydrophobicContact CG2-CG1 4.37Å; V62-V68 HydrophobicContact CG2-CG2 4.02Å; V68-I173 HydrophobicContact CG2-CD1 3.83Å; V68-I173 HydrophobicContact CG2-CG2 4.44Å |
| 69 | A | 86.8 | Confident | 79.9 | Confident | 24 Ų | 24 | 36.8 Ų | 36.8 | 20% | 0.198 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 155.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V61 Y71 | V61-A69 PolarHBondContact N-O 3.27Å; V61-A69 PolarHBondContact O-N 2.89Å; V61-A69 VanDerWaalsContact O-N 3.11Å; A69-Y71 HydrophobicContact CB-CE2 3.62Å; A69-Y71 WeakPolarHBondContact CB-OH 3.22Å; A69-Y71 WeakPolarHBondContact O-CD2 3.38Å; A69-Y71 WeakPolarHBondContact O-CE2 3.47Å |
| 70 | N | 84.6 | Confident | 80.1 | Confident | 76 Ų | 76 | 36.8 Ų | 36.8 | 41% | 0.406 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 144.5 | 174.6 | -71.6 | 33 | 0 | 0 | 0 | 111.1 | E58 A59 I60 | E58-N70 WeakPolarHBondContact OE2-CB 3.45Å; E58-N70 PolarHBondContact OE2-ND2 3.4Å; A59-N70 WeakPolarHBondContact O-CA 3.31Å; I60-N70 WeakPolarHBondContact CG1-OD1 3.16Å |
| 71 | Y | 83.7 | Confident | 80.1 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.4 | -179.9 | -65.9 | -74.3 | 0 | 0 | 0 | 111.6 | W35 E58 A59 V61 W63 A69 D79 L80 | W35-Y71 AromaticContact CH2-CD1 3.92Å; W35-Y71 HydrophobicContact CH2-CD1 3.92Å; W35-Y71 AromaticContact CH2-CE1 3.22Å; W35-Y71 HydrophobicContact CH2-CE1 3.22Å; W35-Y71 AromaticContact CH2-CZ 3.72Å; W35-Y71 HydrophobicContact CZ2-CE1 4.12Å; W35-Y71 AromaticContact CZ3-CD1 3.75Å; W35-Y71 HydrophobicContact CZ3-CD1 3.75Å; W35-Y71 AromaticContact CZ3-CE1 3.57Å; W35-Y71 HydrophobicContact CZ3-CE1 3.57Å; E58-Y71 CarbonylContact C-O 3.57Å; E58-Y71 WeakPolarHBondContact CA-O 3.32Å; A59-Y71 PolarHBondContact N-O 3.38Å; A59-Y71 PolarHBondContact O-N 2.98Å; V61-Y71 HydrophobicContact CB-CD2 4Å; V61-Y71 HydrophobicContact CB-CE2 4.09Å; V61-Y71 HydrophobicContact CG2-CD2 3.93Å; V61-Y71 HydrophobicContact CG2-CE2 4.49Å; W63-Y71 AromaticContact CE2-CE2 3.87Å; W63-Y71 HydrophobicContact CZ2-CD2 4.49Å; W63-Y71 AromaticContact CZ2-CE2 3.82Å; W63-Y71 HydrophobicContact CZ2-CE2 3.82Å; W63-Y71 AromaticContact CZ2-CZ 3.93Å; W63-Y71 AromaticContact NE1-CE2 3.36Å; W63-Y71 AromaticContact NE1-CZ 3.51Å; W63-Y71 PolarHBondContact NE1-OH 3.02Å; A69-Y71 HydrophobicContact CB-CE2 3.62Å; A69-Y71 WeakPolarHBondContact CB-OH 3.22Å; A69-Y71 WeakPolarHBondContact O-CD2 3.38Å; A69-Y71 WeakPolarHBondContact O-CE2 3.47Å; Y71-D79 HydrophobicContact CD1-CB 4.19Å; Y71-L80 HydrophobicContact CD2-CD1 4.17Å; Y71-L80 HydrophobicContact CD2-CD2 4.48Å; Y71-L80 HydrophobicContact CG-CD1 4.08Å; Y71-L80 HydrophobicContact CG-CD2 4.32Å; Y71-L80 HydrophobicContact CG-CG 4.26Å |
| 72 | R | 77.9 | Confident | 80.1 | Confident | 72 Ų | 72 | 37.4 Ų | 37.4 | 27% | 0.272 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132.7 | -178.2 | -56.1 | 168.4 | -61.4 | 149.6 | 4.4 | 110.7 | L76 G77 D79 | R72-L76 PolarHBondContact NH1-O 2.58Å; R72-G77 CarbonylContact C-O 3.27Å; R72-G77 WeakPolarHBondContact CB-O 3.3Å; R72-D79 WeakPolarHBondContact CB-OD2 3.46Å; R72-D79 IonicContact CZ-OD1 3.3Å; R72-D79 IonicContact CZ-OD2 2.72Å; R72-D79 PolarHBondContact N-OD2 2.94Å; R72-D79 VanDerWaalsContact N-OD2 3.08Å; R72-D79 IonicContact NE-OD1 3.64Å; R72-D79 IonicContact NE-OD2 2.75Å; R72-D79 PolarHBondContact NE-OD2 3.22Å; R72-D79 IonicContact NH2-OD1 3.29Å; R72-D79 PolarHBondContact NH2-OD1 3.3Å; R72-D79 IonicContact NH2-OD2 3.18Å; R72-D79 PolarHBondContact NH2-OD2 3.4Å; R72-D79 PolarHBondContact O-N 3.03Å |
| 73 | C | 70.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 55.6 | 178.6 | 63.2 | 0 | 0 | 0 | 0 | 111.4 | G57 A59 L285 R289 | G57-C73 CarbonylContact O-C 3.59Å; G57-C73 VanDerWaalsContact O-C 3.32Å; G57-C73 PolarHBondContact O-N 3.31Å; G57-C73 PolarHBondContact O-SG 3.31Å; G57-C73 VanDerWaalsContact O-SG 3.37Å; A59-C73 HydrophobicContact CB-CB 4.47Å; A59-C73 VanDerWaalsContact CB-SG 3.52Å; A59-C73 PolarHBondContact N-SG 3.35Å; C73-L285 HydrophobicContact CB-CB 4.29Å; C73-L285 HydrophobicContact CB-CD2 4.09Å; C73-L285 HydrophobicContact CB-CG 4.26Å; C73-R289 PolarHBondContact O-NE 3.38Å; C73-R289 PolarHBondContact SG-NH2 2.84Å |
| 74 | G | 64.5 | Low | 80 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | -159.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L76 G77 F78 | G74-L76 PolarHBondContact O-N 3.45Å; G74-G77 PolarHBondContact N-O 3.34Å; G74-G77 CarbonylContact O-C 2.95Å; G74-G77 PolarHBondContact O-N 3.3Å; G74-F78 WeakPolarHBondContact O-CE1 3.47Å |
| 75 | V | 55.5 | Low | 79.7 | Confident | 126 Ų | 126 | 38.9 Ų | 38.9 | 76% | 0.764 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -27.4 | -174.1 | -172 | 0 | 0 | 0 | 0 | 113.1 | G77 | V75-G77 PolarHBondContact O-N 3.24Š|
| 76 | L | 53.6 | Low | 79.7 | Confident | 143 Ų | 143 | 37.5 Ų | 37.5 | 75% | 0.749 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4.2 | 177.5 | -57.6 | 178.2 | 0 | 0 | 0 | 114.6 | R72 G74 | R72-L76 PolarHBondContact NH1-O 2.58Å; G74-L76 PolarHBondContact O-N 3.45Å |
| 77 | G | 60.3 | Low | 79.8 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 22% | 0.216 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.9 | 171.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R72 G74 V75 | R72-G77 CarbonylContact C-O 3.27Å; R72-G77 WeakPolarHBondContact CB-O 3.3Å; G74-G77 PolarHBondContact N-O 3.34Å; G74-G77 CarbonylContact O-C 2.95Å; G74-G77 PolarHBondContact O-N 3.3Å; V75-G77 PolarHBondContact O-N 3.24Å |
| 78 | F | 68.8 | Low | 79.6 | Confident | 78 Ų | 78 | 35.6 Ų | 35.6 | 34% | 0.342 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 108.3 | -172 | -44.2 | -67.6 | 0 | 0 | 0 | 110.7 | G74 L284 A286 | G74-F78 WeakPolarHBondContact O-CE1 3.47Å; F78-L284 HydrophobicContact CB-CD2 4.13Å; F78-L284 HydrophobicContact CD2-CD1 3.78Å; F78-L284 HydrophobicContact CE2-CD1 4.11Å; F78-L284 HydrophobicContact CG-CD1 4.15Å; F78-A286 HydrophobicContact CD1-CB 3.51Å; F78-A286 HydrophobicContact CE1-CB 3.29Å; F78-A286 HydrophobicContact CZ-CB 4.34Å |
| 79 | D | 78.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -87.9 | -12.9 | 177.8 | -66.1 | -50 | 0 | 0 | 0 | 112.5 | G32 W35 W37 Y71 R72 | G32-D79 PolarHBondContact N-O 2.9Å; W35-D79 HydrophobicContact CE3-CB 4.23Å; W35-D79 HydrophobicContact CZ3-CB 4.41Å; W37-D79 PolarHBondContact NE1-OD1 3.44Å; W37-D79 PolarHBondContact NE1-OD2 3.47Å; W37-D79 VanDerWaalsContact NE1-OD2 3.08Å; Y71-D79 HydrophobicContact CD1-CB 4.19Å; R72-D79 WeakPolarHBondContact CB-OD2 3.46Å; R72-D79 IonicContact CZ-OD1 3.3Å; R72-D79 IonicContact CZ-OD2 2.72Å; R72-D79 PolarHBondContact N-OD2 2.94Å; R72-D79 VanDerWaalsContact N-OD2 3.08Å; R72-D79 IonicContact NE-OD1 3.64Å; R72-D79 IonicContact NE-OD2 2.75Å; R72-D79 PolarHBondContact NE-OD2 3.22Å; R72-D79 IonicContact NH2-OD1 3.29Å; R72-D79 PolarHBondContact NH2-OD1 3.3Å; R72-D79 IonicContact NH2-OD2 3.18Å; R72-D79 PolarHBondContact NH2-OD2 3.4Å; R72-D79 PolarHBondContact O-N 3.03Å | ||
| 80 | L | 87.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.8 | -166.9 | -62.8 | 172.6 | 0 | 0 | 0 | 114.5 | V29 W35 V61 W63 Y71 L285 | V29-L80 HydrophobicContact CG2-CD2 4.49Å; W35-L80 HydrophobicContact CZ3-CD2 4.17Å; V61-L80 HydrophobicContact CG2-CD1 3.53Å; W63-L80 HydrophobicContact CH2-CD2 3.88Å; W63-L80 HydrophobicContact CZ2-CD2 4.01Å; Y71-L80 HydrophobicContact CD2-CD1 4.17Å; Y71-L80 HydrophobicContact CD2-CD2 4.48Å; Y71-L80 HydrophobicContact CG-CD1 4.08Å; Y71-L80 HydrophobicContact CG-CD2 4.32Å; Y71-L80 HydrophobicContact CG-CG 4.26Å; L80-L285 HydrophobicContact CB-CB 4.1Å; L80-L285 HydrophobicContact CB-CD2 4.18Å; L80-L285 HydrophobicContact CD1-CD2 3.72Å; L80-L285 PolarHBondContact O-N 2.98Å; L80-L285 VanDerWaalsContact O-N 3.07Å |
| 81 | R | 89 | Confident | 79.3 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 151.2 | 168.3 | -70.7 | -169.4 | -173.5 | -86 | 0 | 112.1 | V29 V30 V279 L282 P283 L284 | V29-R81 CarbonylContact C-O 3.47Å; V29-R81 VanDerWaalsContact CA-O 3.27Å; V29-R81 WeakPolarHBondContact CA-O 3.3Å; V29-R81 WeakPolarHBondContact CB-O 3.27Å; V30-R81 HydrophobicContact CG2-CB 4.28Å; V30-R81 PolarHBondContact N-O 2.8Å; V30-R81 PolarHBondContact O-N 2.99Å; R81-V279 WeakPolarHBondContact CD-O 3.38Å; R81-V279 PolarHBondContact NE-O 3.1Å; R81-L282 HydrophobicContact CB-CB 3.96Å; R81-L282 HydrophobicContact CB-CD1 4.48Å; R81-L282 PolarHBondContact NH1-O 2.84Å; R81-P283 CarbonylContact C-O 3.6Å; R81-P283 WeakPolarHBondContact CA-O 2.89Å; R81-P283 VanDerWaalsContact CB-O 3.32Å; R81-P283 WeakPolarHBondContact CB-O 3.45Å; R81-L284 HydrophobicContact CG-CD2 4.32Å |
| 82 | V | 90.7 | Very high | 79.6 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 117.7 | -178.9 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | C27 L282 P283 L285 L288 | C27-V82 HydrophobicContact CB-CG1 4.25Å; V82-L282 WeakPolarHBondContact O-CB 3.32Å; V82-L282 WeakPolarHBondContact O-CD2 3.33Å; V82-P283 HydrophobicContact CB-CB 4.24Å; V82-P283 HydrophobicContact CB-CG 4.27Å; V82-P283 HydrophobicContact CG2-CB 4.37Å; V82-P283 PolarHBondContact N-O 3.03Å; V82-P283 WeakPolarHBondContact O-CD 3.43Å; V82-L285 HydrophobicContact CG2-CD1 3.99Å; V82-L288 HydrophobicContact CG2-CD1 3.85Å; V82-L288 HydrophobicContact CG2-CG 4.33Å |
| 83 | L | 92.5 | Very high | 79.9 | Confident | 20 Ų | 20 | 34.3 Ų | 34.3 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -42 | 177.2 | 179.9 | 66.9 | 0 | 0 | 0 | 112.5 | R28 V30 V47 Y277 L282 | R28-L83 WeakPolarHBondContact O-CA 3.21Å; R28-L83 PolarHBondContact O-N 2.97Å; V30-L83 HydrophobicContact CG1-CB 4.08Å; V30-L83 HydrophobicContact CG1-CD2 3.89Å; V30-L83 HydrophobicContact CG1-CG 4.47Å; V30-L83 HydrophobicContact CG2-CB 4.43Å; V47-L83 HydrophobicContact CG1-CD2 4.18Å; V47-L83 HydrophobicContact CG2-CD2 3.56Å; L83-Y277 HydrophobicContact CD1-CD1 3.89Å; L83-Y277 HydrophobicContact CD1-CD2 4.1Å; L83-Y277 HydrophobicContact CD1-CE1 4.5Å; L83-Y277 HydrophobicContact CD1-CG 3.66Å; L83-L282 HydrophobicContact CB-CD1 4.32Å; L83-L282 HydrophobicContact CD1-CD1 3.95Å |
| 84 | D | 90.3 | Very high | 80.6 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 8% | 0.075 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 127.4 | 175.1 | -165.1 | -1.1 | 0 | 0 | 0 | 111 | R28 A86 R241 | R28-D84 HydrophobicContact CB-CB 4.17Å; R28-D84 WeakPolarHBondContact CB-O 3.43Å; R28-D84 PolarHBondContact N-O 2.76Å; R28-D84 PolarHBondContact O-N 3.17Å; D84-A86 VanDerWaalsContact OD1-CB 3.25Å; D84-A86 WeakPolarHBondContact OD1-CB 3.49Å; D84-A86 PolarHBondContact OD1-N 3.42Å; D84-R241 VanDerWaalsContact CG-NH1 3.26Å; D84-R241 IonicContact OD1-NH1 3.74Å; D84-R241 PolarHBondContact OD1-NH1 3.44Å; D84-R241 WeakPolarHBondContact OD2-CD 3.44Å; D84-R241 IonicContact OD2-CZ 3.11Å; D84-R241 IonicContact OD2-NH1 2.73Å; D84-R241 PolarHBondContact OD2-NH1 3.42Å |
| 85 | S | 88.6 | Confident | 81.8 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | trans | -99.3 | -4.2 | 176 | 60.9 | 0 | 0 | 0 | 0 | 113.2 | P87 T88 S90 G107 | S85-P87 VanDerWaalsContact C-CD 3.45Å; S85-P87 VanDerWaalsContact C-N 3.29Å; S85-T88 PolarHBondContact O-N 3.34Å; S85-T88 PolarHBondContact O-OG1 2.89Å; S85-S90 VanDerWaalsContact C-OG 3.31Å; S85-S90 WeakPolarHBondContact CB-OG 3.4Å; S85-S90 PolarHBondContact O-OG 2.93Å; S85-S90 VanDerWaalsContact O-OG 3.11Å; S85-S90 PolarHBondContact OG-OG 3.34Å; S85-G107 WeakPolarHBondContact OG-CA 3.36Å | ||
| 86 | A | 88.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -50.7 | -40.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | D84 T88 G89 P240 R241 | D84-A86 VanDerWaalsContact OD1-CB 3.25Å; D84-A86 WeakPolarHBondContact OD1-CB 3.49Å; D84-A86 PolarHBondContact OD1-N 3.42Å; A86-T88 PolarHBondContact O-N 2.95Å; A86-T88 VanDerWaalsContact O-N 3.08Å; A86-G89 PolarHBondContact O-N 3.29Å; A86-P240 CarbonylContact C-O 3.59Å; A86-P240 HydrophobicContact CB-CG 4.1Å; A86-P240 VanDerWaalsContact O-CD 3.28Å; A86-P240 WeakPolarHBondContact O-CD 3.32Å; A86-P240 WeakPolarHBondContact O-CG 3.48Å; A86-R241 HydrophobicContact CB-CB 4.43Å; A86-R241 HydrophobicContact CB-CG 4.21Å |
| 87 | P | 88 | Confident | 85.4 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -63.6 | -14.7 | 177.8 | -27.6 | 39.4 | 0 | 0 | 0 | 115.7 | R28 S85 G89 P240 | R28-P87 HydrophobicContact CG-CG 3.92Å; S85-P87 VanDerWaalsContact C-CD 3.45Å; S85-P87 VanDerWaalsContact C-N 3.29Å; P87-G89 VanDerWaalsContact C-N 3.33Å; P87-P240 WeakPolarHBondContact CA-O 3.36Å |
| 88 | T | 83.3 | Confident | 86.9 | Confident | 46 Ų | 46 | 33 Ų | 33 | 28% | 0.282 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -93.4 | 10.9 | 175 | 88.9 | 0 | 0 | 0 | 0 | 112.7 | V25 C27 S85 A86 S90 | V25-T88 WeakPolarHBondContact O-CG2 3.33Å; C27-T88 HydrophobicContact CB-CG2 4.25Å; C27-T88 VanDerWaalsContact N-CG2 3.35Å; C27-T88 WeakPolarHBondContact SG-CG2 3.4Å; S85-T88 PolarHBondContact O-N 3.34Å; S85-T88 PolarHBondContact O-OG1 2.89Å; A86-T88 PolarHBondContact O-N 2.95Å; A86-T88 VanDerWaalsContact O-N 3.08Å; T88-S90 PolarHBondContact O-N 3.38Å |
| 89 | G | 83.2 | Confident | 87.9 | Confident | 23 Ų | 23 | 31.6 Ų | 31.6 | 24% | 0.237 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 8.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | A86 P87 K91 W238 | A86-G89 PolarHBondContact O-N 3.29Å; P87-G89 VanDerWaalsContact C-N 3.33Å; G89-K91 PolarHBondContact O-N 3.46Å; G89-K91 VanDerWaalsContact O-N 3.14Å; G89-W238 WeakPolarHBondContact CA-O 3.15Å |
| 90 | S | 83.1 | Confident | 88.6 | Confident | 16 Ų | 16 | 34.3 Ų | 34.3 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | trans | -64.8 | 115.2 | 176 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | S85 T88 G107 | S85-S90 VanDerWaalsContact C-OG 3.31Å; S85-S90 WeakPolarHBondContact CB-OG 3.4Å; S85-S90 PolarHBondContact O-OG 2.93Å; S85-S90 VanDerWaalsContact O-OG 3.11Å; S85-S90 PolarHBondContact OG-OG 3.34Å; T88-S90 PolarHBondContact O-N 3.38Å; S90-G107 PolarHBondContact O-N 2.96Å; S90-G107 WeakPolarHBondContact OG-CA 3.48Å | ||
| 91 | K | 87.6 | Confident | 88.8 | Confident | 105 Ų | 105 | 40.9 Ų | 40.9 | 46% | 0.457 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.5 | 178 | 69.2 | -177.9 | -178.4 | 178.7 | 0 | 111.3 | G89 P93 P104 Y106 P142 | G89-K91 PolarHBondContact O-N 3.46Å; G89-K91 VanDerWaalsContact O-N 3.14Å; K91-P93 WeakPolarHBondContact O-CD 3.13Å; K91-P104 HydrophobicContact CB-CG 4.47Å; K91-Y106 HydrophobicContact CB-CD1 3.7Å; K91-Y106 HydrophobicContact CB-CE1 3.96Å; K91-Y106 HydrophobicContact CD-CE1 4.48Å; K91-P142 WeakPolarHBondContact O-CD 3.34Å; K91-P142 WeakPolarHBondContact O-CG 3.39Å |
| 92 | H | 89.3 | Confident | 88.7 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 90.5 | 176.5 | -73 | -85.9 | 0 | 0 | 0 | 111.2 | T95 P104 I105 G107 R109 I139 | H92-T95 HydrophobicContact CB-CG2 4.08Å; H92-T95 VanDerWaalsContact CB-OG1 3.24Å; H92-T95 WeakPolarHBondContact CB-OG1 3.03Å; H92-T95 PolarHBondContact O-N 3.5Å; H92-T95 PolarHBondContact O-OG1 3.41Å; H92-P104 WeakPolarHBondContact O-CB 3.13Å; H92-I105 HydrophobicContact CB-CB 4.38Å; H92-I105 PolarHBondContact N-O 2.88Å; H92-G107 PolarHBondContact CD2-O 2.95Å; H92-R109 VanDerWaalsContact CD2-CB 3.49Å; H92-R109 WeakPolarHBondContact CD2-CB 3.34Å; H92-I139 PolarHBondContact NE2-O 2.84Å |
| 93 | P | 84.7 | Confident | 88.6 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 40% | 0.403 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 152.2 | 176.4 | 27.8 | -35 | 0 | 0 | 0 | 111.4 | K91 T95 | K91-P93 WeakPolarHBondContact O-CD 3.13Å; P93-T95 PolarHBondContact O-N 3.43Å |
| 94 | G | 84.9 | Confident | 88.4 | Confident | 88 Ų | 88 | 45.5 Ų | 45.5 | 91% | 0.907 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 15.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 95 | T | 89.4 | Confident | 88.4 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | trans | -124 | 140.7 | 179.9 | 71 | 0 | 0 | 0 | 0 | 112.1 | H92 P93 P104 I105 R109 | H92-T95 HydrophobicContact CB-CG2 4.08Å; H92-T95 VanDerWaalsContact CB-OG1 3.24Å; H92-T95 WeakPolarHBondContact CB-OG1 3.03Å; H92-T95 PolarHBondContact O-N 3.5Å; H92-T95 PolarHBondContact O-OG1 3.41Å; P93-T95 PolarHBondContact O-N 3.43Å; T95-P104 WeakPolarHBondContact O-CA 3.45Å; T95-I105 PolarHBondContact O-N 3.37Å; T95-R109 VanDerWaalsContact CG2-CZ 3.42Å; T95-R109 VanDerWaalsContact CG2-NH1 3.28Å | ||
| 96 | I | 91.1 | Very high | 88.5 | Confident | 97 Ų | 97 | 47.7 Ų | 47.7 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | trans | -125.8 | 133.6 | -178.1 | -48.9 | -177 | 0 | 0 | 0 | 107.6 | E98 H101 | I96-E98 PolarHBondContact O-N 3.5Å; I96-H101 HydrophobicContact CG2-CB 4.4Å | ||
| 97 | C | 94.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -73.1 | 116.7 | 171.1 | -180 | 0 | 0 | 0 | 0 | 110.6 | S99 C100 H101 E102 I105 D119 C121 C124 | C97-S99 PolarHBondContact O-N 3.17Å; C97-C100 VanDerWaalsContact CB-SG 3.54Å; C97-C100 PolarHBondContact O-N 3.47Å; C97-C100 PolarHBondContact SG-SG 2.99Å; C97-H101 VanDerWaalsContact O-CA 3.29Å; C97-H101 WeakPolarHBondContact O-CA 3.38Å; C97-H101 PolarHBondContact O-N 3.35Å; C97-E102 HydrophobicContact CB-CB 4.18Å; C97-E102 PolarHBondContact N-O 3.39Å; C97-I105 HydrophobicContact CB-CD1 4.32Å; C97-I105 HydrophobicContact CB-CG1 4.25Å; C97-D119 CarbonylContact C-O 3.46Å; C97-D119 WeakPolarHBondContact CA-O 3.2Å; C97-C121 HydrophobicContact CB-CB 4.25Å; C97-C121 PolarHBondContact SG-N 3.28Å; C97-C124 VanDerWaalsContact SG-SG 3.62Å | ||
| 98 | E | 92.2 | Very high | 88.7 | Confident | 85 Ų | 85 | 47.5 Ų | 47.5 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -16.4 | 179.5 | -86.6 | -169.4 | 178 | 0 | 0 | 113.9 | I96 S117 T118 D119 | I96-E98 PolarHBondContact O-N 3.5Å; E98-S117 VanDerWaalsContact OE1-C 3.26Å; E98-S117 WeakPolarHBondContact OE1-CB 3.46Å; E98-S117 PolarHBondContact OE1-OG 3.28Å; E98-T118 WeakPolarHBondContact OE1-CA 3.36Å; E98-T118 PolarHBondContact OE1-N 3.24Å; E98-T118 VanDerWaalsContact OE2-CA 3.24Å; E98-T118 WeakPolarHBondContact OE2-CA 3.38Å; E98-T118 WeakPolarHBondContact OE2-CB 3.32Å; E98-T118 VanDerWaalsContact OE2-CG2 3.28Å; E98-T118 WeakPolarHBondContact OE2-CG2 3.35Å; E98-T118 PolarHBondContact OE2-OG1 2.91Å; E98-D119 PolarHBondContact N-O 2.86Å |
| 99 | S | 90.1 | Very high | 89.1 | Confident | 49 Ų | 49 | 47.4 Ų | 47.4 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -7 | -173.3 | -62.6 | 0 | 0 | 0 | 0 | 116.1 | C97 L120 K129 | C97-S99 PolarHBondContact O-N 3.17Å; S99-L120 VanDerWaalsContact OG-CD2 3.31Å; S99-L120 WeakPolarHBondContact OG-CD2 3.41Å; S99-K129 WeakPolarHBondContact OG-CB 3.23Å |
| 100 | C | 92.4 | Very high | 89.7 | Confident | 59 Ų | 59 | 46.3 Ų | 46.3 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.1 | 0 | 174 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | C97 E102 C121 | C97-C100 VanDerWaalsContact CB-SG 3.54Å; C97-C100 PolarHBondContact O-N 3.47Å; C97-C100 PolarHBondContact SG-SG 2.99Å; C100-E102 PolarHBondContact O-N 3.13Å; C100-E102 VanDerWaalsContact O-N 3.13Å; C100-E102 VanDerWaalsContact SG-CB 3.52Å; C100-C121 VanDerWaalsContact SG-SG 3.68Å |
| 101 | H | 90.8 | Very high | 90.2 | Very high | 139 Ų | 139 | 47.7 Ų | 47.7 | 64% | 0.644 | 27% | 0.27 | S | S | * | . | trans | 57.8 | 19.6 | -177.8 | -47.6 | -70.1 | 0 | 0 | 0 | 115.1 | I96 C97 S103 | I96-H101 HydrophobicContact CG2-CB 4.4Å; C97-H101 VanDerWaalsContact O-CA 3.29Å; C97-H101 WeakPolarHBondContact O-CA 3.38Å; C97-H101 PolarHBondContact O-N 3.35Å; H101-S103 PolarHBondContact O-N 2.91Å; H101-S103 VanDerWaalsContact O-N 3.13Å | ||
| 102 | E | 87.4 | Confident | 90.5 | Very high | 42 Ų | 42 | 42.8 Ų | 42.8 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | trans | -59.8 | 113.1 | 170 | -176.8 | 175.1 | -167.4 | 0 | 0 | 109.7 | C97 C100 Y106 C121 R241 | C97-E102 HydrophobicContact CB-CB 4.18Å; C97-E102 PolarHBondContact N-O 3.39Å; C100-E102 PolarHBondContact O-N 3.13Å; C100-E102 VanDerWaalsContact O-N 3.13Å; C100-E102 VanDerWaalsContact SG-CB 3.52Å; E102-Y106 HydrophobicContact CG-CD2 4.34Å; E102-C121 WeakPolarHBondContact OE2-CB 3.45Å; E102-C121 PolarHBondContact OE2-SG 2.82Å; E102-R241 IonicContact OE1-CZ 3.89Å; E102-R241 IonicContact OE1-NH2 3.68Å; E102-R241 PolarHBondContact OE1-NH2 2.69Å; E102-R241 IonicContact OE2-NH2 3.58Å | ||
| 103 | S | 88.2 | Confident | 90.5 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 51% | 0.51 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -138.9 | 128.8 | 180 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | H101 | H101-S103 PolarHBondContact O-N 2.91Å; H101-S103 VanDerWaalsContact O-N 3.13Å |
| 104 | P | 89 | Confident | 90.5 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 21% | 0.214 | 27% | 0.265 | C | S | . | . | S | Bend | cis | -60.1 | 156.6 | -15.4 | 30.4 | -36.7 | 0 | 0 | 0 | 111.9 | K91 H92 T95 Y106 | K91-P104 HydrophobicContact CB-CG 4.47Å; H92-P104 WeakPolarHBondContact O-CB 3.13Å; T95-P104 WeakPolarHBondContact O-CA 3.45Å; P104-Y106 HydrophobicContact CG-CD1 4.36Å; P104-Y106 HydrophobicContact CG-CE1 3.69Å; P104-Y106 HydrophobicContact CG-CE2 4.41Å; P104-Y106 WeakPolarHBondContact O-CD2 3.21Å; P104-Y106 PolarHBondContact O-N 3.29Å |
| 105 | I | 91.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 120.4 | 170.7 | -65 | 174.2 | 0 | 0 | 0 | 109.3 | H92 T95 C97 R109 D119 C121 | H92-I105 HydrophobicContact CB-CB 4.38Å; H92-I105 PolarHBondContact N-O 2.88Å; T95-I105 PolarHBondContact O-N 3.37Å; C97-I105 HydrophobicContact CB-CD1 4.32Å; C97-I105 HydrophobicContact CB-CG1 4.25Å; I105-R109 HydrophobicContact CD1-CG 4.32Å; I105-R109 HydrophobicContact CG2-CB 4.25Å; I105-D119 HydrophobicContact CD1-CB 4.14Å; I105-C121 HydrophobicContact CG2-CB 3.82Å |
| 106 | Y | 89.4 | Confident | 90 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 26% | 0.255 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.9 | 176.6 | -60.3 | -67.2 | 0 | 0 | 0 | 112.3 | K91 E102 P104 P240 R241 | K91-Y106 HydrophobicContact CB-CD1 3.7Å; K91-Y106 HydrophobicContact CB-CE1 3.96Å; K91-Y106 HydrophobicContact CD-CE1 4.48Å; E102-Y106 HydrophobicContact CG-CD2 4.34Å; P104-Y106 HydrophobicContact CG-CD1 4.36Å; P104-Y106 HydrophobicContact CG-CE1 3.69Å; P104-Y106 HydrophobicContact CG-CE2 4.41Å; P104-Y106 WeakPolarHBondContact O-CD2 3.21Å; P104-Y106 PolarHBondContact O-N 3.29Å; Y106-P240 HydrophobicContact CD1-CB 4.03Å; Y106-P240 HydrophobicContact CD1-CG 3.51Å; Y106-P240 HydrophobicContact CD2-CB 4.41Å; Y106-P240 HydrophobicContact CE1-CB 4.41Å; Y106-P240 HydrophobicContact CE1-CG 4.09Å; Y106-P240 HydrophobicContact CG-CB 4Å; Y106-P240 HydrophobicContact CG-CG 3.85Å; Y106-R241 PolarHBondContact O-NH1 3.33Å; Y106-R241 PolarHBondContact O-NH2 3.33Å |
| 107 | G | 89 | Confident | 89.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 77.4 | -147.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S85 S90 H92 | S85-G107 WeakPolarHBondContact OG-CA 3.36Å; S90-G107 PolarHBondContact O-N 2.96Å; S90-G107 WeakPolarHBondContact OG-CA 3.48Å; H92-G107 PolarHBondContact CD2-O 2.95Å |
| 108 | I | 91.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | trans | -74.6 | 127.7 | -177.9 | -51.7 | 169.1 | 0 | 0 | 0 | 110.5 | W110 S122 R138 I139 T140 P283 | I108-W110 HydrophobicContact CG2-CD2 4.46Å; I108-W110 HydrophobicContact CG2-CZ2 4.11Å; I108-S122 WeakPolarHBondContact CB-OG 3.42Å; I108-S122 PolarHBondContact O-N 3.38Å; I108-S122 PolarHBondContact O-OG 2.95Å; I108-R138 HydrophobicContact CG2-CG 3.64Å; I108-I139 WeakPolarHBondContact CG2-O 3.38Å; I108-T140 HydrophobicContact CG1-CG2 4.29Å; I108-T140 HydrophobicContact CG2-CG2 4.41Å; I108-P283 HydrophobicContact CD1-CG 3.64Å | ||
| 109 | R | 93.3 | Very high | 89.3 | Confident | 45 Ų | 45 | 43.6 Ų | 43.6 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 137.2 | 171.2 | 170.3 | -177.4 | 176.8 | -177 | 10.7 | 110.5 | H92 T95 I105 D119 I139 | H92-R109 VanDerWaalsContact CD2-CB 3.49Å; H92-R109 WeakPolarHBondContact CD2-CB 3.34Å; T95-R109 VanDerWaalsContact CG2-CZ 3.42Å; T95-R109 VanDerWaalsContact CG2-NH1 3.28Å; I105-R109 HydrophobicContact CD1-CG 4.32Å; I105-R109 HydrophobicContact CG2-CB 4.25Å; R109-D119 IonicContact CZ-OD1 2.71Å; R109-D119 IonicContact CZ-OD2 3.81Å; R109-D119 IonicContact NE-OD1 2.78Å; R109-D119 PolarHBondContact NE-OD1 3.37Å; R109-D119 IonicContact NE-OD2 3.83Å; R109-D119 IonicContact NH2-OD1 2.89Å; R109-D119 PolarHBondContact NH2-OD1 2.76Å; R109-D119 IonicContact NH2-OD2 3.22Å; R109-D119 PolarHBondContact NH2-OD2 3.11Å; R109-I139 HydrophobicContact CB-CB 4.38Å; R109-I139 PolarHBondContact N-O 3.22Å; R109-I139 PolarHBondContact O-N 3.07Å |
| 110 | W | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 99.1 | 180 | -58.2 | 84.4 | 0 | 0 | 0 | 110.4 | I108 L120 S122 Y125 H126 F136 L137 R138 V149 H281 | I108-W110 HydrophobicContact CG2-CD2 4.46Å; I108-W110 HydrophobicContact CG2-CZ2 4.11Å; W110-L120 HydrophobicContact CB-CB 4.34Å; W110-L120 PolarHBondContact N-O 2.89Å; W110-L120 PolarHBondContact O-N 3.11Å; W110-S122 PolarHBondContact NE1-OG 2.92Å; W110-Y125 HydrophobicContact CB-CD2 3.52Å; W110-Y125 HydrophobicContact CB-CE2 4.24Å; W110-Y125 HydrophobicContact CB-CG 3.9Å; W110-Y125 AromaticContact CD1-CG 3.94Å; W110-Y125 AromaticContact CD2-CD1 3.62Å; W110-Y125 HydrophobicContact CD2-CD1 3.62Å; W110-Y125 AromaticContact CD2-CD2 3.65Å; W110-Y125 HydrophobicContact CD2-CD2 3.65Å; W110-Y125 AromaticContact CD2-CE1 3.92Å; W110-Y125 HydrophobicContact CD2-CE1 3.92Å; W110-Y125 AromaticContact CD2-CE2 3.94Å; W110-Y125 HydrophobicContact CD2-CE2 3.94Å; W110-Y125 AromaticContact CD2-CG 3.49Å; W110-Y125 HydrophobicContact CD2-CG 3.49Å; W110-Y125 VanDerWaalsContact CD2-CG 3.49Å; W110-Y125 AromaticContact CE2-CD1 3.69Å; W110-Y125 AromaticContact CE2-CG 3.92Å; W110-Y125 AromaticContact CE3-CD1 3.81Å; W110-Y125 HydrophobicContact CE3-CD1 3.81Å; W110-Y125 AromaticContact CE3-CD2 3.72Å; W110-Y125 HydrophobicContact CE3-CD2 3.72Å; W110-Y125 AromaticContact CE3-CE1 3.58Å; W110-Y125 HydrophobicContact CE3-CE1 3.58Å; W110-Y125 AromaticContact CE3-CE2 3.48Å; W110-Y125 HydrophobicContact CE3-CE2 3.48Å; W110-Y125 VanDerWaalsContact CE3-CE2 3.48Å; W110-Y125 AromaticContact CE3-CG 3.89Å; W110-Y125 HydrophobicContact CE3-CG 3.89Å; W110-Y125 AromaticContact CE3-CZ 3.41Å; W110-Y125 VanDerWaalsContact CE3-CZ 3.41Å; W110-Y125 HydrophobicContact CG-CD1 4.12Å; W110-Y125 AromaticContact CG-CD2 3.6Å; W110-Y125 HydrophobicContact CG-CD2 3.6Å; W110-Y125 HydrophobicContact CG-CE2 4.29Å; W110-Y125 AromaticContact CG-CG 3.51Å; W110-Y125 HydrophobicContact CG-CG 3.51Å; W110-Y125 HydrophobicContact CH2-CD1 4.11Å; W110-Y125 AromaticContact CH2-CE1 3.74Å; W110-Y125 HydrophobicContact CH2-CE1 3.74Å; W110-Y125 AromaticContact CZ2-CD1 3.95Å; W110-Y125 HydrophobicContact CZ2-CD1 3.95Å; W110-Y125 HydrophobicContact CZ2-CE1 4.07Å; W110-Y125 HydrophobicContact CZ3-CD1 4.05Å; W110-Y125 AromaticContact CZ3-CE1 3.49Å; W110-Y125 HydrophobicContact CZ3-CE1 3.49Å; W110-Y125 VanDerWaalsContact CZ3-CE1 3.49Å; W110-Y125 HydrophobicContact CZ3-CE2 4.1Å; W110-Y125 AromaticContact CZ3-CZ 3.51Å; W110-H126 AromaticContact CZ2-NE2 3.95Å; W110-F136 HydrophobicContact CB-CD1 4.11Å; W110-L137 CarbonylContact C-O 3.48Å; W110-L137 WeakPolarHBondContact CA-O 3.45Å; W110-R138 HydrophobicContact CE3-CB 4Å; W110-R138 HydrophobicContact CE3-CG 4.18Å; W110-R138 HydrophobicContact CH2-CB 4.36Å; W110-R138 HydrophobicContact CH2-CG 3.84Å; W110-R138 HydrophobicContact CZ2-CG 4.21Å; W110-R138 HydrophobicContact CZ3-CB 3.82Å; W110-R138 HydrophobicContact CZ3-CG 3.81Å; W110-V149 HydrophobicContact CZ3-CB 4.37Å; W110-V149 HydrophobicContact CZ3-CG1 4.24Å; W110-V149 HydrophobicContact CZ3-CG2 4.1Å; W110-H281 HydrophobicContact CH2-CB 4.05Å; W110-H281 HydrophobicContact CZ3-CB 4.3Å |
| 111 | K | 93.9 | Very high | 89.6 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 19% | 0.191 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 131.3 | 178.7 | -166 | 171.2 | -178.5 | 82.1 | 0 | 110.9 | L116 T118 D119 F136 L137 | K111-L116 WeakPolarHBondContact CE-O 3.23Å; K111-L116 PolarHBondContact NZ-O 3.02Å; K111-T118 CarbonylContact C-O 3.47Å; K111-T118 WeakPolarHBondContact CA-O 3.19Å; K111-D119 WeakPolarHBondContact CA-OD1 3.48Å; K111-D119 WeakPolarHBondContact CB-OD1 3.35Å; K111-D119 WeakPolarHBondContact CG-OD1 3.22Å; K111-D119 IonicContact NZ-OD2 2.73Å; K111-D119 PolarHBondContact NZ-OD2 3.45Å; K111-F136 VanDerWaalsContact C-CD1 3.45Å; K111-F136 CarbonylContact O-C 3.49Å; K111-F136 VanDerWaalsContact O-CA 3.24Å; K111-F136 WeakPolarHBondContact O-CA 3.09Å; K111-F136 WeakPolarHBondContact O-CD1 3.26Å; K111-L137 HydrophobicContact CB-CB 4.38Å; K111-L137 PolarHBondContact N-O 2.81Å; K111-L137 PolarHBondContact O-N 2.9Å |
| 112 | C | 93.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 138.2 | 174.9 | -168.3 | 0 | 0 | 0 | 0 | 110.7 | C115 T118 H130 F136 | C112-C115 HydrophobicContact CB-CB 4.26Å; C112-C115 WeakPolarHBondContact CB-O 3.4Å; C112-C115 PolarHBondContact SG-N 3.41Å; C112-T118 HydrophobicContact CB-CG2 4.19Å; C112-T118 PolarHBondContact N-O 3.48Å; C112-H130 VanDerWaalsContact CB-NE2 3.29Å; C112-H130 WeakPolarHBondContact CB-NE2 3.33Å; C112-H130 VanDerWaalsContact SG-CD2 3.52Å; C112-H130 PolarHBondContact SG-NE2 3.4Å; C112-F136 HydrophobicContact CB-CD1 4.17Å; C112-F136 HydrophobicContact CB-CE1 3.76Å; C112-F136 HydrophobicContact CB-CZ 4.03Å |
| 113 | V | 89.7 | Confident | 89.9 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -77.5 | -30.8 | 175.8 | 175 | 0 | 0 | 0 | 0 | 111.5 | Q135 L137 | V113-Q135 HydrophobicContact CB-CB 4.12Å; V113-Q135 WeakPolarHBondContact CB-O 3.23Å; V113-Q135 HydrophobicContact CG2-CB 3.97Å; V113-Q135 PolarHBondContact N-O 2.74Å; V113-L137 HydrophobicContact CG2-CD2 4.44Å; V113-L137 HydrophobicContact CG2-CG 4.1Å |
| 114 | V | 85.9 | Confident | 90.2 | Very high | 89 Ų | 89 | 31.5 Ų | 31.5 | 54% | 0.539 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -91.1 | -42 | -173.8 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | H134 | V114-H134 HydrophobicContact CB-CB 4.3Å; V114-H134 HydrophobicContact CG2-CB 3.93Å |
| 115 | C | 87.2 | Confident | 90.5 | Very high | 35 Ų | 35 | 30 Ų | 30 | 24% | 0.236 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -103.8 | 95.3 | 178.4 | -57.6 | 0 | 0 | 0 | 0 | 108.1 | C112 S117 T118 H130 | C112-C115 HydrophobicContact CB-CB 4.26Å; C112-C115 WeakPolarHBondContact CB-O 3.4Å; C112-C115 PolarHBondContact SG-N 3.41Å; C115-S117 PolarHBondContact O-N 2.86Å; C115-S117 VanDerWaalsContact O-N 3.13Å; C115-T118 WeakPolarHBondContact CB-OG1 3.41Å; C115-T118 PolarHBondContact O-N 2.6Å; C115-H130 WeakPolarHBondContact CB-CE1 3.4Å; C115-H130 WeakPolarHBondContact CB-NE2 3.19Å; C115-H130 PolarHBondContact SG-CE1 3.05Å; C115-H130 PolarHBondContact SG-NE2 3.18Å |
| 116 | L | 75.3 | Confident | 90.7 | Very high | 107 Ų | 107 | 30.6 Ų | 30.6 | 56% | 0.56 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.7 | -168.9 | -64.8 | 173.7 | 0 | 0 | 0 | 114.4 | K111 | K111-L116 WeakPolarHBondContact CE-O 3.23Å; K111-L116 PolarHBondContact NZ-O 3.02Å |
| 117 | S | 80.4 | Confident | 90.8 | Very high | 81 Ų | 81 | 29.9 Ų | 29.9 | 57% | 0.566 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -35.8 | 169.5 | 65.2 | 0 | 0 | 0 | 0 | 112.5 | E98 C115 D119 | E98-S117 VanDerWaalsContact OE1-C 3.26Å; E98-S117 WeakPolarHBondContact OE1-CB 3.46Å; E98-S117 PolarHBondContact OE1-OG 3.28Å; C115-S117 PolarHBondContact O-N 2.86Å; C115-S117 VanDerWaalsContact O-N 3.13Å; S117-D119 PolarHBondContact O-N 3Å |
| 118 | T | 90.2 | Very high | 91 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | trans | -70.7 | 103.3 | -165.4 | -54.2 | 0 | 0 | 0 | 0 | 113.3 | E98 K111 C112 C115 L120 H130 | E98-T118 WeakPolarHBondContact OE1-CA 3.36Å; E98-T118 PolarHBondContact OE1-N 3.24Å; E98-T118 VanDerWaalsContact OE2-CA 3.24Å; E98-T118 WeakPolarHBondContact OE2-CA 3.38Å; E98-T118 WeakPolarHBondContact OE2-CB 3.32Å; E98-T118 VanDerWaalsContact OE2-CG2 3.28Å; E98-T118 WeakPolarHBondContact OE2-CG2 3.35Å; E98-T118 PolarHBondContact OE2-OG1 2.91Å; K111-T118 CarbonylContact C-O 3.47Å; K111-T118 WeakPolarHBondContact CA-O 3.19Å; C112-T118 HydrophobicContact CB-CG2 4.19Å; C112-T118 PolarHBondContact N-O 3.48Å; C115-T118 WeakPolarHBondContact CB-OG1 3.41Å; C115-T118 PolarHBondContact O-N 2.6Å; T118-L120 HydrophobicContact CG2-CD2 4.12Å; T118-L120 HydrophobicContact CG2-CG 4.1Å; T118-H130 HydrophobicContact CG2-CB 4.34Å; T118-H130 PolarHBondContact OG1-CE1 2.95Å | ||
| 119 | D | 93.8 | Very high | 90.9 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.9 | 165.2 | -85.4 | -70.6 | 0 | 0 | 0 | 110.4 | C97 E98 I105 R109 K111 S117 | C97-D119 CarbonylContact C-O 3.46Å; C97-D119 WeakPolarHBondContact CA-O 3.2Å; E98-D119 PolarHBondContact N-O 2.86Å; I105-D119 HydrophobicContact CD1-CB 4.14Å; R109-D119 IonicContact CZ-OD1 2.71Å; R109-D119 IonicContact CZ-OD2 3.81Å; R109-D119 IonicContact NE-OD1 2.78Å; R109-D119 PolarHBondContact NE-OD1 3.37Å; R109-D119 IonicContact NE-OD2 3.83Å; R109-D119 IonicContact NH2-OD1 2.89Å; R109-D119 PolarHBondContact NH2-OD1 2.76Å; R109-D119 IonicContact NH2-OD2 3.22Å; R109-D119 PolarHBondContact NH2-OD2 3.11Å; K111-D119 WeakPolarHBondContact CA-OD1 3.48Å; K111-D119 WeakPolarHBondContact CB-OD1 3.35Å; K111-D119 WeakPolarHBondContact CG-OD1 3.22Å; K111-D119 IonicContact NZ-OD2 2.73Å; K111-D119 PolarHBondContact NZ-OD2 3.45Å; S117-D119 PolarHBondContact O-N 3Å |
| 120 | L | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.4 | 179 | -58.4 | 177.4 | 0 | 0 | 0 | 111 | S99 W110 T118 C124 K129 H130 F136 | S99-L120 VanDerWaalsContact OG-CD2 3.31Å; S99-L120 WeakPolarHBondContact OG-CD2 3.41Å; W110-L120 HydrophobicContact CB-CB 4.34Å; W110-L120 PolarHBondContact N-O 2.89Å; W110-L120 PolarHBondContact O-N 3.11Å; T118-L120 HydrophobicContact CG2-CD2 4.12Å; T118-L120 HydrophobicContact CG2-CG 4.1Å; L120-C124 HydrophobicContact CB-CB 4.35Å; L120-C124 HydrophobicContact CD2-CB 4.22Å; L120-K129 VanDerWaalsContact CD1-O 3.25Å; L120-K129 WeakPolarHBondContact CD1-O 3.43Å; L120-H130 HydrophobicContact CD1-CB 4.1Å; L120-F136 HydrophobicContact CD1-CE1 3.65Å; L120-F136 HydrophobicContact CD1-CZ 3.85Å; L120-F136 HydrophobicContact CG-CE1 4.22Å |
| 121 | C | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 162.8 | 161.4 | 74.8 | 0 | 0 | 0 | 0 | 110.8 | C97 C100 E102 I105 T123 C124 Y125 | C97-C121 HydrophobicContact CB-CB 4.25Å; C97-C121 PolarHBondContact SG-N 3.28Å; C100-C121 VanDerWaalsContact SG-SG 3.68Å; E102-C121 WeakPolarHBondContact OE2-CB 3.45Å; E102-C121 PolarHBondContact OE2-SG 2.82Å; I105-C121 HydrophobicContact CG2-CB 3.82Å; C121-T123 VanDerWaalsContact C-N 3.27Å; C121-T123 PolarHBondContact O-N 3.46Å; C121-C124 PolarHBondContact O-N 3.25Å; C121-C124 VanDerWaalsContact O-N 3.13Å; C121-Y125 WeakPolarHBondContact O-CB 3.32Å; C121-Y125 PolarHBondContact O-N 3.14Å |
| 122 | S | 92.2 | Very high | 90.5 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -37.5 | -178.3 | -65.4 | 0 | 0 | 0 | 0 | 113.5 | I108 W110 C124 Y125 H126 | I108-S122 WeakPolarHBondContact CB-OG 3.42Å; I108-S122 PolarHBondContact O-N 3.38Å; I108-S122 PolarHBondContact O-OG 2.95Å; W110-S122 PolarHBondContact NE1-OG 2.92Å; S122-C124 PolarHBondContact O-N 3.41Å; S122-Y125 PolarHBondContact O-N 2.77Å; S122-H126 PolarHBondContact O-CD2 2.98Å; S122-H126 PolarHBondContact O-N 3.23Å |
| 123 | T | 91.7 | Very high | 90.3 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 56% | 0.558 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59.1 | -48.4 | 175.9 | -46.5 | 0 | 0 | 0 | 0 | 111.6 | C121 A127 | C121-T123 VanDerWaalsContact C-N 3.27Å; C121-T123 PolarHBondContact O-N 3.46Å; T123-A127 WeakPolarHBondContact O-CB 3.24Å; T123-A127 PolarHBondContact O-N 3.41Å |
| 124 | C | 94.7 | Very high | 90.3 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.7 | -36.4 | 178.7 | -69.7 | 0 | 0 | 0 | 0 | 112.6 | C97 L120 C121 S122 H126 A127 K129 | C97-C124 VanDerWaalsContact SG-SG 3.62Å; L120-C124 HydrophobicContact CB-CB 4.35Å; L120-C124 HydrophobicContact CD2-CB 4.22Å; C121-C124 PolarHBondContact O-N 3.25Å; C121-C124 VanDerWaalsContact O-N 3.13Å; S122-C124 PolarHBondContact O-N 3.41Å; C124-H126 PolarHBondContact O-N 2.95Å; C124-A127 PolarHBondContact O-N 3.32Å; C124-K129 HydrophobicContact CB-CB 4.1Å; C124-K129 HydrophobicContact CB-CG 4.02Å; C124-K129 WeakPolarHBondContact O-CB 3.48Å; C124-K129 PolarHBondContact O-N 3.06Å; C124-K129 VanDerWaalsContact O-N 3.11Å |
| 125 | Y | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | 177.3 | 178.8 | -92.8 | 0 | 0 | 0 | 112.7 | W110 C121 S122 F136 R152 Y278 H281 | W110-Y125 HydrophobicContact CB-CD2 3.52Å; W110-Y125 HydrophobicContact CB-CE2 4.24Å; W110-Y125 HydrophobicContact CB-CG 3.9Å; W110-Y125 AromaticContact CD1-CG 3.94Å; W110-Y125 AromaticContact CD2-CD1 3.62Å; W110-Y125 HydrophobicContact CD2-CD1 3.62Å; W110-Y125 AromaticContact CD2-CD2 3.65Å; W110-Y125 HydrophobicContact CD2-CD2 3.65Å; W110-Y125 AromaticContact CD2-CE1 3.92Å; W110-Y125 HydrophobicContact CD2-CE1 3.92Å; W110-Y125 AromaticContact CD2-CE2 3.94Å; W110-Y125 HydrophobicContact CD2-CE2 3.94Å; W110-Y125 AromaticContact CD2-CG 3.49Å; W110-Y125 HydrophobicContact CD2-CG 3.49Å; W110-Y125 VanDerWaalsContact CD2-CG 3.49Å; W110-Y125 AromaticContact CE2-CD1 3.69Å; W110-Y125 AromaticContact CE2-CG 3.92Å; W110-Y125 AromaticContact CE3-CD1 3.81Å; W110-Y125 HydrophobicContact CE3-CD1 3.81Å; W110-Y125 AromaticContact CE3-CD2 3.72Å; W110-Y125 HydrophobicContact CE3-CD2 3.72Å; W110-Y125 AromaticContact CE3-CE1 3.58Å; W110-Y125 HydrophobicContact CE3-CE1 3.58Å; W110-Y125 AromaticContact CE3-CE2 3.48Å; W110-Y125 HydrophobicContact CE3-CE2 3.48Å; W110-Y125 VanDerWaalsContact CE3-CE2 3.48Å; W110-Y125 AromaticContact CE3-CG 3.89Å; W110-Y125 HydrophobicContact CE3-CG 3.89Å; W110-Y125 AromaticContact CE3-CZ 3.41Å; W110-Y125 VanDerWaalsContact CE3-CZ 3.41Å; W110-Y125 HydrophobicContact CG-CD1 4.12Å; W110-Y125 AromaticContact CG-CD2 3.6Å; W110-Y125 HydrophobicContact CG-CD2 3.6Å; W110-Y125 HydrophobicContact CG-CE2 4.29Å; W110-Y125 AromaticContact CG-CG 3.51Å; W110-Y125 HydrophobicContact CG-CG 3.51Å; W110-Y125 HydrophobicContact CH2-CD1 4.11Å; W110-Y125 AromaticContact CH2-CE1 3.74Å; W110-Y125 HydrophobicContact CH2-CE1 3.74Å; W110-Y125 AromaticContact CZ2-CD1 3.95Å; W110-Y125 HydrophobicContact CZ2-CD1 3.95Å; W110-Y125 HydrophobicContact CZ2-CE1 4.07Å; W110-Y125 HydrophobicContact CZ3-CD1 4.05Å; W110-Y125 AromaticContact CZ3-CE1 3.49Å; W110-Y125 HydrophobicContact CZ3-CE1 3.49Å; W110-Y125 VanDerWaalsContact CZ3-CE1 3.49Å; W110-Y125 HydrophobicContact CZ3-CE2 4.1Å; W110-Y125 AromaticContact CZ3-CZ 3.51Å; C121-Y125 WeakPolarHBondContact O-CB 3.32Å; C121-Y125 PolarHBondContact O-N 3.14Å; S122-Y125 PolarHBondContact O-N 2.77Å; Y125-F136 AromaticContact CD2-CD1 3.96Å; Y125-F136 HydrophobicContact CD2-CD1 3.96Å; Y125-F136 HydrophobicContact CD2-CD2 4.44Å; Y125-F136 HydrophobicContact CD2-CE1 4.19Å; Y125-F136 HydrophobicContact CD2-CG 4.1Å; Y125-F136 HydrophobicContact CE2-CB 3.79Å; Y125-F136 AromaticContact CE2-CD1 3.89Å; Y125-F136 HydrophobicContact CE2-CD1 3.89Å; Y125-F136 AromaticContact CE2-CD2 3.74Å; Y125-F136 HydrophobicContact CE2-CD2 3.74Å; Y125-F136 HydrophobicContact CE2-CE1 4.39Å; Y125-F136 HydrophobicContact CE2-CE2 4.24Å; Y125-F136 AromaticContact CE2-CG 3.54Å; Y125-F136 HydrophobicContact CE2-CG 3.54Å; Y125-R152 HydrophobicContact CE2-CG 4.42Å; Y125-R152 VanDerWaalsContact CE2-NH1 3.33Å; Y125-R152 PolarHBondContact O-NH1 2.95Å; Y125-Y278 HydrophobicContact CE1-CD2 4.37Å; Y125-H281 AromaticContact CE1-ND1 3.98Å; Y125-H281 AromaticContact CZ-ND1 3.82Å; Y125-H281 PolarHBondContact OH-CE1 2.79Å; Y125-H281 PolarHBondContact OH-ND1 3.44Å |
| 126 | H | 94.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 6% | 0.06 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -86.8 | -14.7 | 178.7 | -63.6 | -60.6 | 0 | 0 | 0 | 114.1 | W110 S122 C124 D128 R157 M276 Y278 | W110-H126 AromaticContact CZ2-NE2 3.95Å; S122-H126 PolarHBondContact O-CD2 2.98Å; S122-H126 PolarHBondContact O-N 3.23Å; C124-H126 PolarHBondContact O-N 2.95Å; H126-D128 VanDerWaalsContact C-N 3.27Å; H126-D128 PolarHBondContact O-N 3.07Å; H126-R157 PolarHBondContact O-NH2 2.84Å; H126-M276 VanDerWaalsContact CB-O 3.24Å; H126-M276 WeakPolarHBondContact CB-O 3.42Å; H126-Y278 AromaticContact ND1-CD2 3.6Å; H126-Y278 PolarHBondContact ND1-N 3.13Å; H126-Y278 VanDerWaalsContact ND1-N 3.2Å |
| 127 | A | 92.2 | Very high | 91.7 | Very high | 50 Ų | 50 | 35 Ų | 35 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 25.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T123 C124 K129 | T123-A127 WeakPolarHBondContact O-CB 3.24Å; T123-A127 PolarHBondContact O-N 3.41Å; C124-A127 PolarHBondContact O-N 3.32Å; A127-K129 PolarHBondContact O-N 2.96Å |
| 128 | D | 92.9 | Very high | 92.3 | Very high | 53 Ų | 53 | 32 Ų | 32 | 28% | 0.283 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 26 | 174.3 | -48.9 | -37 | 0 | 0 | 0 | 115.6 | H126 L132 R157 Y278 | H126-D128 VanDerWaalsContact C-N 3.27Å; H126-D128 PolarHBondContact O-N 3.07Å; D128-L132 HydrophobicContact CB-CD2 3.96Å; D128-R157 IonicContact OD1-CZ 2.67Å; D128-R157 IonicContact OD1-NH1 3.23Å; D128-R157 IonicContact OD1-NH2 3.89Å; D128-R157 PolarHBondContact OD1-NH2 3.37Å; D128-R157 IonicContact OD2-CZ 3.5Å; D128-R157 IonicContact OD2-NH1 2.97Å; D128-R157 PolarHBondContact OD2-NH1 2.73Å; D128-R157 IonicContact OD2-NH2 3.31Å; D128-R157 PolarHBondContact OD2-NH2 3.29Å; D128-Y278 PolarHBondContact OD1-OH 2.95Å |
| 129 | K | 89.8 | Confident | 92.2 | Very high | 105 Ų | 105 | 32 Ų | 32 | 46% | 0.457 | 18% | 0.18 | S | C | . | . | trans | -71.1 | 135.2 | 170.1 | -52.8 | -57.2 | -177.5 | 178.4 | 0 | 108.3 | S99 L120 C124 A127 R152 | S99-K129 WeakPolarHBondContact OG-CB 3.23Å; L120-K129 VanDerWaalsContact CD1-O 3.25Å; L120-K129 WeakPolarHBondContact CD1-O 3.43Å; C124-K129 HydrophobicContact CB-CB 4.1Å; C124-K129 HydrophobicContact CB-CG 4.02Å; C124-K129 WeakPolarHBondContact O-CB 3.48Å; C124-K129 PolarHBondContact O-N 3.06Å; C124-K129 VanDerWaalsContact O-N 3.11Å; A127-K129 PolarHBondContact O-N 2.96Å; K129-R152 PolarHBondContact O-NH2 2.99Å | ||
| 130 | H | 92.5 | Very high | 91.8 | Very high | 65 Ų | 65 | 32.2 Ų | 32.2 | 30% | 0.301 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 71.7 | 161.4 | -166.6 | -154 | 69.3 | 0 | 0 | 0 | 116 | C112 C115 T118 L120 L132 H134 F136 R152 | C112-H130 VanDerWaalsContact CB-NE2 3.29Å; C112-H130 WeakPolarHBondContact CB-NE2 3.33Å; C112-H130 VanDerWaalsContact SG-CD2 3.52Å; C112-H130 PolarHBondContact SG-NE2 3.4Å; C115-H130 WeakPolarHBondContact CB-CE1 3.4Å; C115-H130 WeakPolarHBondContact CB-NE2 3.19Å; C115-H130 PolarHBondContact SG-CE1 3.05Å; C115-H130 PolarHBondContact SG-NE2 3.18Å; T118-H130 HydrophobicContact CG2-CB 4.34Å; T118-H130 PolarHBondContact OG1-CE1 2.95Å; L120-H130 HydrophobicContact CD1-CB 4.1Å; H130-L132 PolarHBondContact O-N 3.06Å; H130-H134 AromaticContact CD2-ND1 3.62Å; H130-H134 AromaticContact NE2-CE1 3.74Å; H130-H134 AromaticContact NE2-ND1 2.94Å; H130-H134 PolarHBondContact NE2-ND1 3.42Å; H130-F136 HydrophobicContact CB-CZ 4.1Å; H130-F136 AromaticContact CD2-CZ 3.65Å; H130-R152 PolarHBondContact O-NH2 2.89Å |
| 131 | S | 89.9 | Confident | 91 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | trans | -51.4 | 129.1 | -176.9 | 176.1 | 0 | 0 | 0 | 0 | 114.1 | A133 H134 | S131-A133 PolarHBondContact O-N 3.15Å; S131-A133 PolarHBondContact OG-N 3.34Å; S131-H134 PolarHBondContact O-N 3.25Å; S131-H134 PolarHBondContact OG-CD2 2.69Å | ||
| 132 | L | 91.5 | Very high | 90.2 | Very high | 60 Ų | 60 | 35.5 Ų | 35.5 | 31% | 0.314 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -21.4 | 173.5 | -61.8 | -178.6 | 0 | 0 | 0 | 113.1 | D128 H130 H134 R152 L153 | D128-L132 HydrophobicContact CB-CD2 3.96Å; H130-L132 PolarHBondContact O-N 3.06Å; L132-H134 VanDerWaalsContact C-N 3.33Å; L132-R152 HydrophobicContact CB-CB 4.41Å; L132-R152 HydrophobicContact CD2-CB 3.77Å; L132-R152 PolarHBondContact O-N 3.33Å; L132-L153 HydrophobicContact CB-CB 4.36Å; L132-L153 PolarHBondContact O-N 2.97Å |
| 133 | A | 88.1 | Confident | 89 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 31% | 0.306 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | S131 R151 | S131-A133 PolarHBondContact O-N 3.15Å; S131-A133 PolarHBondContact OG-N 3.34Å; A133-R151 VanDerWaalsContact O-CD 3.23Å; A133-R151 WeakPolarHBondContact O-CD 3.37Å; A133-R151 WeakPolarHBondContact O-CG 3.49Å; A133-R151 PolarHBondContact O-NH1 3.14Å |
| 134 | H | 91 | Very high | 87.9 | Confident | 41 Ų | 41 | 40.9 Ų | 40.9 | 19% | 0.19 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -87.3 | 145.7 | -179.5 | -63.2 | 176.6 | 0 | 0 | 0 | 111.8 | V114 H130 S131 L132 F136 | V114-H134 HydrophobicContact CB-CB 4.3Å; V114-H134 HydrophobicContact CG2-CB 3.93Å; H130-H134 AromaticContact CD2-ND1 3.62Å; H130-H134 AromaticContact NE2-CE1 3.74Å; H130-H134 AromaticContact NE2-ND1 2.94Å; H130-H134 PolarHBondContact NE2-ND1 3.42Å; S131-H134 PolarHBondContact O-N 3.25Å; S131-H134 PolarHBondContact OG-CD2 2.69Å; L132-H134 VanDerWaalsContact C-N 3.33Å; H134-F136 HydrophobicContact CB-CE2 4.32Å |
| 135 | Q | 90.5 | Very high | 86.5 | Confident | 30 Ų | 30 | 45 Ų | 45 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | trans | -79.9 | 158.8 | 166.8 | -74.3 | 179.1 | -23.6 | 0 | 0 | 110.6 | V113 R151 | V113-Q135 HydrophobicContact CB-CB 4.12Å; V113-Q135 WeakPolarHBondContact CB-O 3.23Å; V113-Q135 HydrophobicContact CG2-CB 3.97Å; V113-Q135 PolarHBondContact N-O 2.74Å; Q135-R151 HydrophobicContact CG-CG 3.93Å | ||
| 136 | F | 93.5 | Very high | 86 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149.2 | 179.7 | -79.7 | -103.6 | 0 | 0 | 0 | 111.6 | W110 K111 C112 L120 Y125 H130 H134 V149 | W110-F136 HydrophobicContact CB-CD1 4.11Å; K111-F136 VanDerWaalsContact C-CD1 3.45Å; K111-F136 CarbonylContact O-C 3.49Å; K111-F136 VanDerWaalsContact O-CA 3.24Å; K111-F136 WeakPolarHBondContact O-CA 3.09Å; K111-F136 WeakPolarHBondContact O-CD1 3.26Å; C112-F136 HydrophobicContact CB-CD1 4.17Å; C112-F136 HydrophobicContact CB-CE1 3.76Å; C112-F136 HydrophobicContact CB-CZ 4.03Å; L120-F136 HydrophobicContact CD1-CE1 3.65Å; L120-F136 HydrophobicContact CD1-CZ 3.85Å; L120-F136 HydrophobicContact CG-CE1 4.22Å; Y125-F136 AromaticContact CD2-CD1 3.96Å; Y125-F136 HydrophobicContact CD2-CD1 3.96Å; Y125-F136 HydrophobicContact CD2-CD2 4.44Å; Y125-F136 HydrophobicContact CD2-CE1 4.19Å; Y125-F136 HydrophobicContact CD2-CG 4.1Å; Y125-F136 HydrophobicContact CE2-CB 3.79Å; Y125-F136 AromaticContact CE2-CD1 3.89Å; Y125-F136 HydrophobicContact CE2-CD1 3.89Å; Y125-F136 AromaticContact CE2-CD2 3.74Å; Y125-F136 HydrophobicContact CE2-CD2 3.74Å; Y125-F136 HydrophobicContact CE2-CE1 4.39Å; Y125-F136 HydrophobicContact CE2-CE2 4.24Å; Y125-F136 AromaticContact CE2-CG 3.54Å; Y125-F136 HydrophobicContact CE2-CG 3.54Å; H130-F136 HydrophobicContact CB-CZ 4.1Å; H130-F136 AromaticContact CD2-CZ 3.65Å; H134-F136 HydrophobicContact CB-CE2 4.32Å; F136-V149 PolarHBondContact N-O 3.1Å; F136-V149 PolarHBondContact O-N 2.87Å |
| 137 | L | 92 | Very high | 85.6 | Confident | 32 Ų | 32 | 53.6 Ų | 53.6 | 17% | 0.168 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.7 | 164 | -63.1 | 174.2 | 0 | 0 | 0 | 108.8 | W110 K111 V113 V147 I148 | W110-L137 CarbonylContact C-O 3.48Å; W110-L137 WeakPolarHBondContact CA-O 3.45Å; K111-L137 HydrophobicContact CB-CB 4.38Å; K111-L137 PolarHBondContact N-O 2.81Å; K111-L137 PolarHBondContact O-N 2.9Å; V113-L137 HydrophobicContact CG2-CD2 4.44Å; V113-L137 HydrophobicContact CG2-CG 4.1Å; L137-V147 WeakPolarHBondContact CA-O 3.29Å; L137-I148 HydrophobicContact CD2-CB 4.38Å; L137-I148 HydrophobicContact CD2-CG1 3.59Å |
| 138 | R | 92.8 | Very high | 85.4 | Confident | 17 Ų | 17 | 53 Ų | 53 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 122.8 | 170.7 | -175.3 | -171.2 | 78.6 | -171.4 | 10.7 | 108.8 | I108 W110 V147 V149 H281 L282 D287 | I108-R138 HydrophobicContact CG2-CG 3.64Å; W110-R138 HydrophobicContact CE3-CB 4Å; W110-R138 HydrophobicContact CE3-CG 4.18Å; W110-R138 HydrophobicContact CH2-CB 4.36Å; W110-R138 HydrophobicContact CH2-CG 3.84Å; W110-R138 HydrophobicContact CZ2-CG 4.21Å; W110-R138 HydrophobicContact CZ3-CB 3.82Å; W110-R138 HydrophobicContact CZ3-CG 3.81Å; R138-V147 PolarHBondContact N-O 2.67Å; R138-V147 PolarHBondContact O-N 3.1Å; R138-V149 HydrophobicContact CB-CG2 3.65Å; R138-H281 VanDerWaalsContact CD-O 3.25Å; R138-H281 WeakPolarHBondContact CD-O 3.35Å; R138-H281 PolarHBondContact NH1-O 2.97Å; R138-L282 VanDerWaalsContact NH1-C 3.32Å; R138-L282 PolarHBondContact NH1-O 3.02Å; R138-D287 IonicContact NH2-OD2 2.74Å; R138-D287 PolarHBondContact NH2-OD2 3Å |
| 139 | I | 89.4 | Confident | 85.2 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116.5 | -179.6 | -40.4 | -178.9 | 0 | 0 | 0 | 107.6 | H92 I108 R109 A141 R146 | H92-I139 PolarHBondContact NE2-O 2.84Å; I108-I139 WeakPolarHBondContact CG2-O 3.38Å; R109-I139 HydrophobicContact CB-CB 4.38Å; R109-I139 PolarHBondContact N-O 3.22Å; R109-I139 PolarHBondContact O-N 3.07Å; I139-A141 WeakPolarHBondContact CG2-O 3.38Å; I139-R146 HydrophobicContact CD1-CG 4.06Å; I139-R146 HydrophobicContact CG1-CB 4.43Å; I139-R146 HydrophobicContact CG1-CG 4.1Å; I139-R146 HydrophobicContact CG2-CG 4.41Å |
| 140 | T | 85 | Confident | 84.8 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 9% | 0.086 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -92.3 | -20.9 | -171.3 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | I108 P283 | I108-T140 HydrophobicContact CG1-CG2 4.29Å; I108-T140 HydrophobicContact CG2-CG2 4.41Å; T140-P283 HydrophobicContact CG2-CB 4.24Å; T140-P283 HydrophobicContact CG2-CG 3.56Å |
| 141 | A | 78.9 | Confident | 84.6 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 21% | 0.207 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -156.2 | 158.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | I139 Y143 K144 | I139-A141 WeakPolarHBondContact CG2-O 3.38Å; A141-Y143 PolarHBondContact O-N 2.95Å; A141-K144 HydrophobicContact CB-CB 4.29Å; A141-K144 HydrophobicContact CB-CD 4.2Å; A141-K144 HydrophobicContact CB-CG 4.1Å; A141-K144 PolarHBondContact O-N 3.32Å; A141-K144 VanDerWaalsContact O-N 3.13Å |
| 142 | P | 75.4 | Confident | 84.7 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 29% | 0.286 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -34.7 | -172.3 | -30.8 | 36.7 | 0 | 0 | 0 | 115.8 | K91 | K91-P142 WeakPolarHBondContact O-CD 3.34Å; K91-P142 WeakPolarHBondContact O-CG 3.39Å |
| 143 | Y | 67.6 | Low | 84.5 | Confident | 171 Ų | 171 | 49.5 Ų | 49.5 | 67% | 0.671 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 15.1 | -174.8 | -46.7 | -66.1 | 0 | 0 | 0 | 113.6 | A141 | A141-Y143 PolarHBondContact O-N 2.95Š|
| 144 | K | 68.8 | Low | 84.4 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -98.5 | 155.7 | 178.1 | -80.4 | -165.9 | 169.2 | -164 | 0 | 113 | A141 R146 D287 L288 | A141-K144 HydrophobicContact CB-CB 4.29Å; A141-K144 HydrophobicContact CB-CD 4.2Å; A141-K144 HydrophobicContact CB-CG 4.1Å; A141-K144 PolarHBondContact O-N 3.32Å; A141-K144 VanDerWaalsContact O-N 3.13Å; K144-R146 PolarHBondContact O-N 3.05Å; K144-D287 PolarHBondContact NZ-O 3.48Å; K144-L288 PolarHBondContact NZ-O 2.88Å |
| 145 | T | 65.7 | Low | 84.2 | Confident | 97 Ų | 97 | 57.7 Ų | 57.7 | 60% | 0.595 | 28% | 0.28 | S | S | * | . | trans | -48.8 | 128.5 | -179.1 | -44.2 | 0 | 0 | 0 | 0 | 112.1 | V147 | T145-V147 PolarHBondContact O-N 3.08Š| ||
| 146 | R | 85.4 | Confident | 84.1 | Confident | 149 Ų | 149 | 61.2 Ų | 61.2 | 56% | 0.562 | 29% | 0.292 | S | S | * | . | trans | -83.8 | 103.2 | -179.5 | -56.7 | -177.5 | -175.8 | 178.9 | 2.8 | 109 | I139 K144 | I139-R146 HydrophobicContact CD1-CG 4.06Å; I139-R146 HydrophobicContact CG1-CB 4.43Å; I139-R146 HydrophobicContact CG1-CG 4.1Å; I139-R146 HydrophobicContact CG2-CG 4.41Å; K144-R146 PolarHBondContact O-N 3.05Å | ||
| 147 | V | 84.4 | Confident | 83.9 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 125 | -175.8 | 180 | 0 | 0 | 0 | 0 | 109.9 | L137 R138 T145 | L137-V147 WeakPolarHBondContact CA-O 3.29Å; R138-V147 PolarHBondContact N-O 2.67Å; R138-V147 PolarHBondContact O-N 3.1Å; T145-V147 PolarHBondContact O-N 3.08Å |
| 148 | I | 89.2 | Confident | 83.9 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 20% | 0.195 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 130.1 | 174.3 | -55.7 | 153.2 | 0 | 0 | 0 | 108.8 | L137 L328 R332 | L137-I148 HydrophobicContact CD2-CB 4.38Å; L137-I148 HydrophobicContact CD2-CG1 3.59Å; I148-L328 HydrophobicContact CD1-CD2 3.87Å; I148-L328 HydrophobicContact CD1-CG 4.11Å; I148-L328 HydrophobicContact CG1-CD2 4.45Å; I148-R332 HydrophobicContact CD1-CB 4.32Å; I148-R332 HydrophobicContact CD1-CG 4.11Å; I148-R332 HydrophobicContact CG2-CG 4.3Å |
| 149 | V | 88.2 | Confident | 83.9 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 145.6 | 179.7 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | W110 F136 R138 H281 | W110-V149 HydrophobicContact CZ3-CB 4.37Å; W110-V149 HydrophobicContact CZ3-CG1 4.24Å; W110-V149 HydrophobicContact CZ3-CG2 4.1Å; F136-V149 PolarHBondContact N-O 3.1Å; F136-V149 PolarHBondContact O-N 2.87Å; R138-V149 HydrophobicContact CB-CG2 3.65Å; V149-H281 HydrophobicContact CG1-CB 3.62Å; V149-H281 VanDerWaalsContact CG1-ND1 3.35Å; V149-H281 WeakPolarHBondContact CG1-ND1 3.21Å |
| 150 | G | 80.5 | Confident | 84.1 | Confident | 31 Ų | 31 | 66.6 Ų | 66.6 | 32% | 0.32 | 31% | 0.314 | S | S | . | . | trans | -58.2 | 165.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H281 | G150-H281 PolarHBondContact O-CE1 3.47Š| ||
| 151 | R | 88.8 | Confident | 84.5 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | trans | -62.4 | 138.3 | 171.7 | -55 | 176.7 | -171.3 | -119.1 | 13.8 | 108.5 | A133 Q135 L153 Q155 | A133-R151 VanDerWaalsContact O-CD 3.23Å; A133-R151 WeakPolarHBondContact O-CD 3.37Å; A133-R151 WeakPolarHBondContact O-CG 3.49Å; A133-R151 PolarHBondContact O-NH1 3.14Å; Q135-R151 HydrophobicContact CG-CG 3.93Å; R151-L153 VanDerWaalsContact C-N 3.25Å; R151-L153 PolarHBondContact O-N 2.04Å; R151-Q155 WeakPolarHBondContact O-CG 3.35Å | ||
| 152 | R | 92.3 | Very high | 85.1 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -71.3 | -18.7 | 179 | -66.3 | -174.7 | -63.9 | -134.1 | 5.8 | 113.5 | Y125 K129 H130 L132 Q155 Y278 | Y125-R152 HydrophobicContact CE2-CG 4.42Å; Y125-R152 VanDerWaalsContact CE2-NH1 3.33Å; Y125-R152 PolarHBondContact O-NH1 2.95Å; K129-R152 PolarHBondContact O-NH2 2.99Å; H130-R152 PolarHBondContact O-NH2 2.89Å; L132-R152 HydrophobicContact CB-CB 4.41Å; L132-R152 HydrophobicContact CD2-CB 3.77Å; L132-R152 PolarHBondContact O-N 3.33Å; R152-Q155 WeakPolarHBondContact O-CB 3.29Å; R152-Q155 PolarHBondContact O-N 2.57Å; R152-Y278 HydrophobicContact CB-CE1 4.28Å; R152-Y278 HydrophobicContact CB-CE2 4.17Å; R152-Y278 HydrophobicContact CG-CD2 4.25Å; R152-Y278 HydrophobicContact CG-CE2 3.98Å |
| 153 | L | 88 | Confident | 86 | Confident | 100 Ų | 100 | 64.5 Ų | 64.5 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 134.4 | 174.9 | -172.7 | 66.2 | 0 | 0 | 0 | 111.2 | L132 R151 Q155 | L132-L153 HydrophobicContact CB-CB 4.36Å; L132-L153 PolarHBondContact O-N 2.97Å; R151-L153 VanDerWaalsContact C-N 3.25Å; R151-L153 PolarHBondContact O-N 2.04Å; L153-Q155 PolarHBondContact O-N 3.48Å; L153-Q155 VanDerWaalsContact O-N 3.16Å |
| 154 | K | 84.9 | Confident | 87.2 | Confident | 171 Ų | 171 | 57 Ų | 57 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 2.1 | -173.5 | -65 | 176.3 | 173.3 | 171.5 | 0 | 116.5 | D340 | K154-D340 IonicContact NZ-OD1 2.88Å; K154-D340 PolarHBondContact NZ-OD1 3.49Å |
| 155 | Q | 87.9 | Confident | 88.3 | Confident | 79 Ų | 79 | 57.7 Ų | 57.7 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | trans | -79.3 | 149.7 | -175.8 | -65.2 | -63.3 | -18.2 | 0 | 0 | 114.6 | R151 R152 L153 R157 Y278 | R151-Q155 WeakPolarHBondContact O-CG 3.35Å; R152-Q155 WeakPolarHBondContact O-CB 3.29Å; R152-Q155 PolarHBondContact O-N 2.57Å; L153-Q155 PolarHBondContact O-N 3.48Å; L153-Q155 VanDerWaalsContact O-N 3.16Å; Q155-R157 PolarHBondContact O-N 2.97Å; Q155-Y278 HydrophobicContact CB-CD1 3.62Å; Q155-Y278 HydrophobicContact CB-CE1 3.73Å | ||
| 156 | R | 88.2 | Confident | 89.6 | Confident | 103 Ų | 103 | 61.3 Ų | 61.3 | 39% | 0.389 | 28% | 0.284 | S | S | . | . | trans | -71.8 | 125.7 | -179 | -166.5 | 173.7 | 87.4 | 102.8 | -10.1 | 111.5 | E44 | E44-R156 VanDerWaalsContact CD-NH1 3.31Å; E44-R156 IonicContact OE1-CZ 2.94Å; E44-R156 IonicContact OE1-NH1 3.45Å; E44-R156 PolarHBondContact OE1-NH1 3.44Å; E44-R156 IonicContact OE1-NH2 3.61Å; E44-R156 PolarHBondContact OE1-NH2 3.5Å; E44-R156 IonicContact OE2-CZ 2.73Å; E44-R156 IonicContact OE2-NH1 2.71Å; E44-R156 PolarHBondContact OE2-NH1 3.23Å; E44-R156 IonicContact OE2-NH2 3.85Å | ||
| 157 | R | 88.8 | Confident | 90 | Very high | 96 Ų | 96 | 54.2 Ų | 54.2 | 36% | 0.362 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.3 | 171.9 | -63.1 | 174.7 | 83 | 172.1 | 16.4 | 110.5 | H126 D128 Q155 Y277 Y278 | H126-R157 PolarHBondContact O-NH2 2.84Å; D128-R157 IonicContact OD1-CZ 2.67Å; D128-R157 IonicContact OD1-NH1 3.23Å; D128-R157 IonicContact OD1-NH2 3.89Å; D128-R157 PolarHBondContact OD1-NH2 3.37Å; D128-R157 IonicContact OD2-CZ 3.5Å; D128-R157 IonicContact OD2-NH1 2.97Å; D128-R157 PolarHBondContact OD2-NH1 2.73Å; D128-R157 IonicContact OD2-NH2 3.31Å; D128-R157 PolarHBondContact OD2-NH2 3.29Å; Q155-R157 PolarHBondContact O-N 2.97Å; R157-Y277 CarbonylContact C-O 3.54Å; R157-Y277 VanDerWaalsContact CA-O 3.29Å; R157-Y277 WeakPolarHBondContact CA-O 3.31Å; R157-Y278 HydrophobicContact CG-CD1 3.69Å; R157-Y278 HydrophobicContact CG-CE1 3.3Å; R157-Y278 HydrophobicContact CG-CE2 4.31Å; R157-Y278 HydrophobicContact CG-CG 4.37Å |
| 158 | V | 91.2 | Very high | 90.5 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 145.3 | 171.7 | 168.9 | 0 | 0 | 0 | 0 | 108.5 | E44 M276 Y277 V279 | E44-V158 HydrophobicContact CG-CB 4.47Å; E44-V158 HydrophobicContact CG-CG1 3.62Å; E44-V158 HydrophobicContact CG-CG2 3.94Å; V158-M276 CarbonylContact O-C 3.55Å; V158-M276 VanDerWaalsContact O-CA 3.32Å; V158-M276 WeakPolarHBondContact O-CA 3.42Å; V158-Y277 HydrophobicContact CB-CE1 3.95Å; V158-Y277 HydrophobicContact CB-CE2 4.24Å; V158-Y277 HydrophobicContact CG1-CE1 3.66Å; V158-Y277 HydrophobicContact CG1-CE2 4.48Å; V158-Y277 WeakPolarHBondContact CG1-OH 3.35Å; V158-Y277 PolarHBondContact N-O 3.49Å; V158-Y277 WeakPolarHBondContact O-CD1 3.47Å; V158-Y277 PolarHBondContact O-N 3.43Å; V158-V279 HydrophobicContact CB-CG2 3.75Å; V158-V279 HydrophobicContact CG2-CG2 3.37Å |
| 159 | E | 92.9 | Very high | 90.7 | Very high | 53 Ų | 53 | 52.5 Ų | 52.5 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130.5 | 175.1 | -166.2 | 176.5 | -126.1 | 0 | 0 | 110.1 | G45 K273 M276 | G45-E159 WeakPolarHBondContact CA-O 3.35Å; E159-K273 HydrophobicContact CG-CB 4.38Å; E159-K273 HydrophobicContact CG-CG 4.37Å; E159-K273 VanDerWaalsContact OE1-CD 3.27Å; E159-K273 WeakPolarHBondContact OE1-CD 3.46Å; E159-K273 WeakPolarHBondContact OE1-CG 3.34Å; E159-K273 IonicContact OE1-NZ 3.03Å; E159-K273 PolarHBondContact OE1-NZ 2.83Å; E159-K273 IonicContact OE2-NZ 3.53Å; E159-K273 PolarHBondContact OE2-NZ 3.19Å; E159-M276 HydrophobicContact CB-CE 3.84Å; E159-M276 HydrophobicContact CB-SD 3.72Å; E159-M276 HydrophobicContact CG-CE 3.87Å; E159-M276 HydrophobicContact CG-SD 4.16Å |
| 160 | S | 93.5 | Very high | 90.7 | Very high | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 140.7 | 174.5 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | G45 K273 G274 G275 | G45-S160 CarbonylContact O-C 3.42Å; G45-S160 WeakPolarHBondContact O-CA 3.39Å; S160-K273 CarbonylContact O-C 3.38Å; S160-K273 WeakPolarHBondContact O-CA 3.31Å; S160-G274 PolarHBondContact O-N 3.36Å; S160-G274 VanDerWaalsContact OG-C 3.27Å; S160-G274 VanDerWaalsContact OG-CA 3.27Å; S160-G274 WeakPolarHBondContact OG-CA 3.07Å; S160-G275 PolarHBondContact N-O 3.1Å; S160-G275 PolarHBondContact OG-N 3.25Å; S160-G275 PolarHBondContact OG-O 3.33Å |
| 161 | L | 93.6 | Very high | 91 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.3 | -174.9 | -64.5 | 173.7 | 0 | 0 | 0 | 110.3 | G45 H46 V47 S272 K273 | G45-L161 PolarHBondContact O-N 3.4Å; H46-L161 WeakPolarHBondContact CA-O 3.49Å; V47-L161 PolarHBondContact N-O 2.85Å; L161-S272 WeakPolarHBondContact CA-O 3.27Å; L161-K273 HydrophobicContact CD2-CG 4.12Å |
| 162 | G | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.7 | -141.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | D64 F164 A167 S272 | D64-G162 VanDerWaalsContact OD2-CA 3.26Å; D64-G162 WeakPolarHBondContact OD2-CA 3.49Å; G162-F164 PolarHBondContact O-N 2.81Å; G162-A167 WeakPolarHBondContact O-CB 3Å; G162-S272 PolarHBondContact N-O 3.04Å; G162-S272 VanDerWaalsContact N-O 3.1Å; G162-S272 PolarHBondContact O-N 3.08Å |
| 163 | L | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -73.8 | 71 | 176.3 | -62.7 | 172.8 | 0 | 0 | 0 | 110.5 | D64 V169 I229 R232 V258 V264 L266 A268 | D64-L163 HydrophobicContact CB-CD1 4.29Å; D64-L163 HydrophobicContact CB-CG 3.9Å; D64-L163 WeakPolarHBondContact OD1-CD1 3.42Å; D64-L163 PolarHBondContact OD2-N 3.32Å; L163-V169 HydrophobicContact CD2-CG1 3.48Å; L163-V169 VanDerWaalsContact CD2-CG1 3.48Å; L163-I229 HydrophobicContact CB-CD1 3.81Å; L163-I229 HydrophobicContact CD2-CD1 3.83Å; L163-I229 HydrophobicContact CG-CD1 4.43Å; L163-R232 PolarHBondContact O-NE 3.31Å; L163-R232 PolarHBondContact O-NH2 3.48Å; L163-V258 HydrophobicContact CB-CG1 4.06Å; L163-V258 HydrophobicContact CD1-CG1 3.71Å; L163-V258 HydrophobicContact CD1-CG2 4.08Å; L163-V264 HydrophobicContact CD1-CG1 3.64Å; L163-L266 HydrophobicContact CD1-CB 4.14Å; L163-L266 HydrophobicContact CD2-CB 3.87Å; L163-A268 HydrophobicContact CD2-CB 4.08Å |
| 164 | F | 92.6 | Very high | 90.4 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -118.8 | 162.6 | 173.7 | -65.6 | -86.1 | 0 | 0 | 0 | 109.9 | V47 G162 K166 A167 S272 | V47-F164 HydrophobicContact CG2-CE2 3.88Å; V47-F164 HydrophobicContact CG2-CZ 4.06Å; G162-F164 PolarHBondContact O-N 2.81Å; F164-K166 PolarHBondContact O-N 2.91Å; F164-A167 WeakPolarHBondContact O-CB 3.3Å; F164-A167 PolarHBondContact O-N 2.69Å; F164-S272 WeakPolarHBondContact CD2-O 3.45Å |
| 165 | P | 92.4 | Very high | 90.3 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 141.6 | 177.1 | -28.1 | 36.4 | 0 | 0 | 0 | 112.7 | A167 S272 | P165-A167 VanDerWaalsContact C-N 3.32Å; P165-S272 VanDerWaalsContact O-CB 3.25Å; P165-S272 WeakPolarHBondContact O-CB 3.32Å; P165-S272 PolarHBondContact O-OG 2.77Å |
| 166 | K | 92.4 | Very high | 89.8 | Confident | 172 Ų | 172 | 46.6 Ų | 46.6 | 75% | 0.748 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -4.1 | -170.5 | -48.1 | 170.6 | -175.9 | 175.2 | 0 | 116.3 | F164 I229 | F164-K166 PolarHBondContact O-N 2.91Å; K166-I229 PolarHBondContact N-O 3.46Å |
| 167 | A | 94.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -63.9 | 142.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G162 F164 P165 R228 I229 R270 | G162-A167 WeakPolarHBondContact O-CB 3Å; F164-A167 WeakPolarHBondContact O-CB 3.3Å; F164-A167 PolarHBondContact O-N 2.69Å; P165-A167 VanDerWaalsContact C-N 3.32Å; A167-R228 WeakPolarHBondContact O-CA 3.29Å; A167-I229 HydrophobicContact CB-CD1 4.17Å; A167-I229 HydrophobicContact CB-CG1 4.47Å; A167-I229 PolarHBondContact O-N 3.31Å; A167-R270 WeakPolarHBondContact CA-O 3.3Å | ||
| 168 | R | 94.4 | Very high | 87.7 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 18% | 0.177 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.7 | 169.3 | -69.8 | -72.7 | -73.8 | -173.2 | -16.7 | 109.6 | G227 D249 A268 I269 R270 | R168-G227 WeakPolarHBondContact CA-O 3.45Å; R168-D249 IonicContact CZ-OD1 2.66Å; R168-D249 IonicContact CZ-OD2 2.74Å; R168-D249 VanDerWaalsContact CZ-OD2 3.23Å; R168-D249 IonicContact NH1-OD1 3.72Å; R168-D249 PolarHBondContact NH1-OD1 3.41Å; R168-D249 IonicContact NH1-OD2 2.67Å; R168-D249 PolarHBondContact NH1-OD2 3.36Å; R168-D249 IonicContact NH2-OD1 3.02Å; R168-D249 IonicContact NH2-OD2 3.75Å; R168-D249 PolarHBondContact NH2-OD2 3.22Å; R168-A268 CarbonylContact O-C 3.58Å; R168-A268 WeakPolarHBondContact O-CA 3.18Å; R168-I269 PolarHBondContact O-N 3.15Å; R168-R270 HydrophobicContact CB-CB 3.93Å; R168-R270 HydrophobicContact CG-CB 4.23Å; R168-R270 PolarHBondContact N-O 2.91Å; R168-R270 PolarHBondContact O-N 3.28Å |
| 169 | V | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 157 | -175.1 | -64.4 | 0 | 0 | 0 | 0 | 112.4 | L163 Q226 G227 I229 V246 W248 L266 K267 | L163-V169 HydrophobicContact CD2-CG1 3.48Å; L163-V169 VanDerWaalsContact CD2-CG1 3.48Å; V169-Q226 WeakPolarHBondContact O-CA 3.45Å; V169-G227 PolarHBondContact N-O 2.98Å; V169-G227 PolarHBondContact O-N 3Å; V169-I229 HydrophobicContact CG1-CD1 3.98Å; V169-I229 HydrophobicContact CG1-CG1 3.92Å; V169-I229 HydrophobicContact CG2-CG1 4.48Å; V169-V246 HydrophobicContact CG2-CG1 3.68Å; V169-V246 HydrophobicContact CG2-CG2 4.02Å; V169-W248 HydrophobicContact CG2-CH2 4.3Å; V169-L266 HydrophobicContact CB-CB 4.45Å; V169-L266 HydrophobicContact CB-CD2 4.31Å; V169-L266 HydrophobicContact CG1-CB 4.38Å; V169-L266 HydrophobicContact CG1-CD1 4.41Å; V169-L266 HydrophobicContact CG2-CD1 4.5Å; V169-L266 HydrophobicContact CG2-CD2 4.15Å; V169-K267 CarbonylContact C-O 3.58Å; V169-K267 VanDerWaalsContact CA-O 3.23Å; V169-K267 WeakPolarHBondContact CA-O 3.41Å |
| 170 | V | 90.2 | Very high | 84.8 | Confident | 20 Ų | 20 | 53 Ų | 53 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 175.1 | 159.2 | -71.4 | 0 | 0 | 0 | 0 | 108.4 | G172 P224 Q226 K267 I269 | V170-G172 PolarHBondContact O-N 3.25Å; V170-P224 HydrophobicContact CG1-CB 4.14Å; V170-Q226 HydrophobicContact CG1-CG 3.97Å; V170-K267 HydrophobicContact CG2-CB 4.2Å; V170-K267 HydrophobicContact CG2-CG 4.44Å; V170-K267 PolarHBondContact N-O 3.31Å; V170-K267 PolarHBondContact O-N 3.39Å; V170-I269 HydrophobicContact CB-CD1 4.33Å; V170-I269 HydrophobicContact CG1-CD1 3.46Å; V170-I269 VanDerWaalsContact CG1-CD1 3.46Å; V170-I269 HydrophobicContact CG1-CG1 4.29Å; V170-I269 HydrophobicContact CG2-CD1 3.96Å; V170-I269 HydrophobicContact CG2-CG1 4.02Å |
| 171 | R | 86.4 | Confident | 83.5 | Confident | 99 Ų | 99 | 52.7 Ų | 52.7 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.4 | 130.5 | 170.1 | -58.2 | 172.7 | -173.5 | -165.7 | 2.8 | 110.5 | W175 D178 D181 | R171-W175 HydrophobicContact CB-CB 4.08Å; R171-W175 HydrophobicContact CB-CG 4.01Å; R171-W175 HydrophobicContact CG-CG 4.1Å; R171-D178 VanDerWaalsContact CZ-O 3.25Å; R171-D178 PolarHBondContact NH1-O 3.23Å; R171-D178 PolarHBondContact NH2-O 3.18Å; R171-D181 IonicContact CZ-OD1 2.61Å; R171-D181 IonicContact CZ-OD2 2.7Å; R171-D181 VanDerWaalsContact CZ-OD2 3.32Å; R171-D181 IonicContact NE-OD1 2.73Å; R171-D181 IonicContact NE-OD2 2.74Å; R171-D181 PolarHBondContact NE-OD2 2.69Å; R171-D181 VanDerWaalsContact NH2-CG 3.27Å; R171-D181 IonicContact NH2-OD1 3.23Å; R171-D181 PolarHBondContact NH2-OD1 3.32Å; R171-D181 IonicContact NH2-OD2 3.14Å; R171-D181 PolarHBondContact NH2-OD2 2.94Å |
| 172 | G | 86.4 | Confident | 81.6 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | trans | -86 | -171.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | V170 D174 D265 | V170-G172 PolarHBondContact O-N 3.25Å; G172-D174 VanDerWaalsContact C-N 3.34Å; G172-D265 WeakPolarHBondContact CA-O 3.42Å; G172-D265 PolarHBondContact N-O 3.47Å | ||
| 173 | I | 83.8 | Confident | 79.3 | Confident | 106 Ų | 106 | 58.1 Ų | 58.1 | 54% | 0.544 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -26.9 | -179.5 | -164.7 | 169.3 | 0 | 0 | 0 | 112.7 | V62 V68 | V62-I173 HydrophobicContact CG1-CG2 4.01Å; V68-I173 HydrophobicContact CG2-CD1 3.83Å; V68-I173 HydrophobicContact CG2-CG2 4.44Å |
| 174 | D | 85.8 | Confident | 76.5 | Confident | 17 Ų | 17 | 63 Ų | 63 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 11.1 | -179.7 | -62.9 | -50.8 | 0 | 0 | 0 | 113.9 | R51 G172 S176 R257 L263 V264 | R51-D174 IonicContact CZ-OD1 3.18Å; R51-D174 IonicContact CZ-OD2 3.49Å; R51-D174 IonicContact NH1-OD1 3.43Å; R51-D174 PolarHBondContact NH1-OD1 3Å; R51-D174 IonicContact NH1-OD2 3.19Å; R51-D174 PolarHBondContact NH1-OD2 2.97Å; R51-D174 IonicContact NH2-OD1 2.71Å; R51-D174 PolarHBondContact NH2-OD1 3.16Å; G172-D174 VanDerWaalsContact C-N 3.34Å; D174-S176 PolarHBondContact O-N 2.88Å; D174-R257 PolarHBondContact O-NH2 3.11Å; D174-L263 HydrophobicContact CB-CB 4.15Å; D174-L263 HydrophobicContact CB-CD2 4.37Å; D174-L263 WeakPolarHBondContact OD2-CA 3.45Å; D174-V264 PolarHBondContact OD2-N 3.19Å |
| 175 | W | 83.3 | Confident | 73.5 | Confident | 38 Ų | 38 | 67.7 Ų | 67.7 | 14% | 0.144 | 37% | 0.37 | C | S | . | . | trans | -77.3 | 115.7 | -179.9 | -179.3 | -103.3 | 0 | 0 | 0 | 112.5 | R171 W177 D178 Q180 Y256 D265 | R171-W175 HydrophobicContact CB-CB 4.08Å; R171-W175 HydrophobicContact CB-CG 4.01Å; R171-W175 HydrophobicContact CG-CG 4.1Å; W175-W177 HydrophobicContact CE3-CB 4.45Å; W175-W177 HydrophobicContact CH2-CB 3.63Å; W175-W177 HydrophobicContact CH2-CG 4.35Å; W175-W177 HydrophobicContact CZ2-CB 3.74Å; W175-W177 WeakPolarHBondContact CZ2-O 3.5Å; W175-W177 HydrophobicContact CZ3-CB 3.97Å; W175-W177 AromaticContact CZ3-CD1 3.87Å; W175-W177 HydrophobicContact CZ3-CG 4.23Å; W175-D178 PolarHBondContact NE1-O 3.46Å; W175-Q180 HydrophobicContact CH2-CB 3.95Å; W175-Q180 HydrophobicContact CH2-CG 4.23Å; W175-Q180 HydrophobicContact CZ2-CB 4Å; W175-Q180 HydrophobicContact CZ2-CG 4.34Å; W175-Y256 HydrophobicContact CD2-CE1 4.29Å; W175-Y256 AromaticContact CE3-CD1 3.72Å; W175-Y256 HydrophobicContact CE3-CD1 3.72Å; W175-Y256 AromaticContact CE3-CE1 3.64Å; W175-Y256 HydrophobicContact CE3-CE1 3.64Å; W175-Y256 HydrophobicContact CH2-CD1 4.07Å; W175-Y256 AromaticContact CH2-CE1 3.31Å; W175-Y256 HydrophobicContact CH2-CE1 3.31Å; W175-Y256 AromaticContact CH2-CZ 3.95Å; W175-Y256 HydrophobicContact CZ2-CE1 4.01Å; W175-Y256 AromaticContact CZ3-CD1 3.39Å; W175-Y256 HydrophobicContact CZ3-CD1 3.39Å; W175-Y256 AromaticContact CZ3-CE1 3.12Å; W175-Y256 HydrophobicContact CZ3-CE1 3.12Å; W175-D265 HydrophobicContact CE3-CB 4.13Å | ||
| 176 | S | 75.9 | Confident | 70.2 | Confident | 86 Ų | 86 | 73.7 Ų | 73.7 | 60% | 0.601 | 40% | 0.397 | S | S | * | . | trans | -128.7 | 23.2 | -175.5 | 65.9 | 0 | 0 | 0 | 0 | 114.3 | D174 | D174-S176 PolarHBondContact O-N 2.88Š| ||
| 177 | W | 64.9 | Low | 67.2 | Low | 113 Ų | 113 | 71.5 Ų | 71.5 | 43% | 0.428 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -129.3 | 49.3 | -168.2 | -51.2 | 82.4 | 0 | 0 | 0 | 113.7 | W175 S179 | W175-W177 HydrophobicContact CE3-CB 4.45Å; W175-W177 HydrophobicContact CH2-CB 3.63Å; W175-W177 HydrophobicContact CH2-CG 4.35Å; W175-W177 HydrophobicContact CZ2-CB 3.74Å; W175-W177 WeakPolarHBondContact CZ2-O 3.5Å; W175-W177 HydrophobicContact CZ3-CB 3.97Å; W175-W177 AromaticContact CZ3-CD1 3.87Å; W175-W177 HydrophobicContact CZ3-CG 4.23Å; W177-S179 PolarHBondContact O-N 3.34Å |
| 178 | D | 67.9 | Low | 63.9 | Low | 138 Ų | 138 | 76.7 Ų | 76.7 | 74% | 0.738 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | -128.6 | 172.5 | -62.7 | -41.6 | 0 | 0 | 0 | 115.4 | R171 W175 | R171-D178 VanDerWaalsContact CZ-O 3.25Å; R171-D178 PolarHBondContact NH1-O 3.23Å; R171-D178 PolarHBondContact NH2-O 3.18Å; W175-D178 PolarHBondContact NE1-O 3.46Å |
| 179 | S | 62 | Low | 60.7 | Low | 72 Ų | 72 | 79.7 Ų | 79.7 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 37.5 | -166.7 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | W177 D181 C182 | W177-S179 PolarHBondContact O-N 3.34Å; S179-D181 WeakPolarHBondContact CA-OD1 3.35Å; S179-D181 PolarHBondContact O-N 2.88Å; S179-C182 PolarHBondContact O-N 2.73Å |
| 180 | Q | 62.7 | Low | 57.5 | Low | 74 Ų | 74 | 85.7 Ų | 85.7 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -6.5 | 172.4 | -64.2 | -177.2 | 14.7 | 0 | 0 | 114.2 | W175 C182 N254 | W175-Q180 HydrophobicContact CH2-CB 3.95Å; W175-Q180 HydrophobicContact CH2-CG 4.23Å; W175-Q180 HydrophobicContact CZ2-CB 4Å; W175-Q180 HydrophobicContact CZ2-CG 4.34Å; Q180-C182 VanDerWaalsContact C-N 3.32Å; Q180-N254 PolarHBondContact O-ND2 3.06Å |
| 181 | D | 65.2 | Low | 54.4 | Low | 0 Ų | 0 | 90.5 Ų | 90.5 | 0% | 0 | 54% | 0.535 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.4 | 170.8 | 56.2 | -7.9 | 0 | 0 | 0 | 113.9 | R171 S179 T225 W248 S250 | R171-D181 IonicContact CZ-OD1 2.61Å; R171-D181 IonicContact CZ-OD2 2.7Å; R171-D181 VanDerWaalsContact CZ-OD2 3.32Å; R171-D181 IonicContact NE-OD1 2.73Å; R171-D181 IonicContact NE-OD2 2.74Å; R171-D181 PolarHBondContact NE-OD2 2.69Å; R171-D181 VanDerWaalsContact NH2-CG 3.27Å; R171-D181 IonicContact NH2-OD1 3.23Å; R171-D181 PolarHBondContact NH2-OD1 3.32Å; R171-D181 IonicContact NH2-OD2 3.14Å; R171-D181 PolarHBondContact NH2-OD2 2.94Å; S179-D181 WeakPolarHBondContact CA-OD1 3.35Å; S179-D181 PolarHBondContact O-N 2.88Å; D181-T225 WeakPolarHBondContact OD2-CB 3.5Å; D181-T225 PolarHBondContact OD2-OG1 3.22Å; D181-W248 HydrophobicContact CB-CD2 3.5Å; D181-W248 VanDerWaalsContact CB-CD2 3.5Å; D181-W248 HydrophobicContact CB-CE3 3.92Å; D181-W248 HydrophobicContact CB-CG 3.77Å; D181-W248 HydrophobicContact CB-CZ2 4.14Å; D181-W248 HydrophobicContact CB-CZ3 4.44Å; D181-S250 VanDerWaalsContact O-CB 3.31Å; D181-S250 WeakPolarHBondContact O-CB 3.46Å; D181-S250 PolarHBondContact O-OG 3.43Å |
| 182 | C | 53.8 | Low | 51.6 | Low | 64 Ų | 64 | 89.5 Ų | 89.5 | 43% | 0.432 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -113.9 | 137.8 | 173.1 | -71.1 | 0 | 0 | 0 | 0 | 111.6 | S179 Q180 | S179-C182 PolarHBondContact O-N 2.73Å; Q180-C182 VanDerWaalsContact C-N 3.32Å |
| 183 | V | 44.5 | Very low | 48.7 | Very low | 89 Ų | 89 | 93.8 Ų | 93.8 | 54% | 0.539 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 122.8 | 162.1 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | A252 | V183-A252 HydrophobicContact CG2-CB 3.89Š|
| 184 | S | 34.3 | Very low | 46 | Very low | 102 Ų | 102 | 95.9 Ų | 95.9 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 131.6 | 178.1 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | L186 | S184-L186 PolarHBondContact O-N 3.45Š|
| 185 | P | 29.2 | Very low | 43.2 | Very low | 113 Ų | 113 | 102 Ų | 102 | 73% | 0.734 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 127.8 | 175.5 | -22.2 | 33.1 | 0 | 0 | 0 | 111.1 | T187 | P185-T187 VanDerWaalsContact C-N 3.32Å; P185-T187 PolarHBondContact O-N 3.24Å |
| 186 | L | 24.5 | Very low | 40.5 | Very low | 181 Ų | 181 | 108 Ų | 108 | 95% | 0.948 | 66% | 0.659 | S | S | * | * | trans | -71.1 | 85.8 | 170.9 | -88 | 158.8 | 0 | 0 | 0 | 110 | S184 S188 | S184-L186 PolarHBondContact O-N 3.45Å; L186-S188 PolarHBondContact O-N 3.13Å | ||
| 187 | T | 29.6 | Very low | 38.3 | Very low | 126 Ų | 126 | 107.3 Ų | 107.3 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | -80.5 | 101.7 | 166.6 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | P185 | P185-T187 VanDerWaalsContact C-N 3.32Å; P185-T187 PolarHBondContact O-N 3.24Å | ||
| 188 | S | 25.1 | Very low | 37.1 | Very low | 109 Ų | 109 | 107.6 Ų | 107.6 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -46.6 | 155.9 | 147.2 | 55 | 0 | 0 | 0 | 0 | 110.9 | L186 | L186-S188 PolarHBondContact O-N 3.13Š| ||
| 189 | S | 26.7 | Very low | 35.2 | Very low | 111 Ų | 111 | 108.3 Ų | 108.3 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | cis | -155.4 | 169.5 | 31.8 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 190 | T | 25.4 | Very low | 33.7 | Very low | 125 Ų | 125 | 108.6 Ų | 108.6 | 77% | 0.767 | 71% | 0.706 | S | S | * | * | trans | -48.2 | 158.6 | 168.4 | -24.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 191 | S | 25.8 | Very low | 32 | Very low | 122 Ų | 122 | 110.9 Ų | 110.9 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | 99.3 | 150.3 | 158.4 | -38.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 192 | G | 26.9 | Very low | 30.3 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 125.7 | 50.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 193 | S | 26.2 | Very low | 29.2 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -58.6 | 141.2 | 172.9 | -51.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 194 | I | 26.5 | Very low | 28.5 | Very low | 151 Ų | 151 | 120.4 Ų | 120.4 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | 70.5 | 115.9 | 154.5 | -45 | 141.8 | 0 | 0 | 0 | 117.5 | ||||
| 195 | L | 26.8 | Very low | 28.3 | Very low | 146 Ų | 146 | 121.8 Ų | 121.8 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | 179 | 130.5 | 109.8 | -91.6 | 177.1 | 0 | 0 | 0 | 113.3 | |||||
| 196 | L | 28 | Very low | 28.1 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | 42 | 127.3 | 144.5 | -63.6 | 171.2 | 0 | 0 | 0 | 122.9 | ||||
| 197 | G | 28.6 | Very low | 28.3 | Very low | 72 Ų | 72 | 123.1 Ų | 123.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | 129 | 112.5 | 117.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 198 | P | 40.4 | Very low | 28.1 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -107.2 | 160.4 | 179.9 | 39.5 | -33.2 | 0 | 0 | 0 | 114.3 | ||||
| 199 | T | 27.4 | Very low | 28.1 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | 155.6 | 156.3 | 143.5 | 38 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 200 | G | 29.6 | Very low | 28 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 138.4 | 76.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 201 | S | 27.6 | Very low | 28 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -29.6 | 146.4 | 171.1 | -47.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 202 | A | 30.3 | Very low | 28 | Very low | 98 Ų | 98 | 124.5 Ų | 124.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -72.9 | 155.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 203 | I | 30.8 | Very low | 28 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -132.1 | 131.3 | 153.8 | -62.7 | -178.1 | 0 | 0 | 0 | 107.7 | ||||
| 204 | A | 29.7 | Very low | 27.9 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -106.4 | 158.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 205 | C | 28.3 | Very low | 27.8 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -136.8 | 136.8 | 161 | -87.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 206 | R | 27 | Very low | 27.8 | Very low | 232 Ų | 232 | 128.9 Ų | 128.9 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | trans | -96 | 161 | -179.3 | -64.6 | 171.5 | 160.4 | 177.9 | -7.4 | 110.7 | ||||
| 207 | S | 28.6 | Very low | 27.8 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | 35.1 | 121.8 | 140.4 | 63.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 208 | N | 24.2 | Very low | 27.8 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | 178.4 | 159.4 | 97.6 | -101.4 | -26.2 | 0 | 0 | 0 | 115.1 | |||||
| 209 | L | 24.9 | Very low | 27.2 | Very low | 162 Ų | 162 | 125.9 Ų | 125.9 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 47.4 | 114.4 | 155.5 | -84.2 | 75.7 | 0 | 0 | 0 | 119.7 | ||||
| 210 | G | 24.5 | Very low | 27.2 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | 116.3 | 139.8 | 101.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 211 | S | 26 | Very low | 27.2 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 60.2 | 101.4 | 147.9 | -178.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 212 | N | 25.7 | Very low | 27.7 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | 53.9 | 146.9 | 122.8 | -55.6 | -17.5 | 0 | 0 | 0 | 122.5 | |||||
| 213 | N | 26.1 | Very low | 28.2 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 84 | 104 | 156.3 | -61.1 | -15.3 | 0 | 0 | 0 | 119.7 | ||||
| 214 | E | 25 | Very low | 29.5 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 66% | 0.659 | 76% | 0.761 | S | S | * | * | 66.7 | 129.2 | 121.2 | -64.3 | -147.9 | 121.4 | 0 | 0 | 122.7 | |||||
| 215 | K | 25 | Very low | 31.5 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | trans | 76.5 | 105.2 | 136.5 | -71.7 | 166.2 | -174.4 | 151 | 0 | 120.1 | ||||
| 216 | T | 26.1 | Very low | 34.2 | Very low | 137 Ų | 137 | 123 Ų | 123 | 84% | 0.84 | 71% | 0.711 | S | S | * | * | 62.8 | 106.3 | 129.3 | 60.9 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 217 | S | 28.8 | Very low | 37.2 | Very low | 128 Ų | 128 | 112 Ų | 112 | 90% | 0.895 | 67% | 0.67 | S | S | * | * | trans | -137.2 | 142.7 | 137.2 | 61.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 218 | A | 28.5 | Very low | 40.3 | Very low | 105 Ų | 105 | 114.2 Ų | 114.2 | 87% | 0.868 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 121.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 219 | G | 27.4 | Very low | 43.5 | Very low | 59 Ų | 59 | 107.6 Ų | 107.6 | 61% | 0.608 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 172 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 220 | P | 27.7 | Very low | 46.7 | Very low | 121 Ų | 121 | 103 Ų | 103 | 79% | 0.786 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 137.9 | -176.3 | 25.9 | -34.6 | 0 | 0 | 0 | 112.2 | L222 | P220-L222 VanDerWaalsContact C-N 3.27Å; P220-L222 PolarHBondContact O-N 3.01Å |
| 221 | I | 28.5 | Very low | 49.5 | Very low | 162 Ų | 162 | 100.5 Ų | 100.5 | 83% | 0.831 | 58% | 0.582 | S | S | * | * | trans | -74.5 | 80.5 | 179.5 | -51.5 | 175.3 | 0 | 0 | 0 | 109.6 | L223 | I221-L223 PolarHBondContact O-N 2.87Š| ||
| 222 | L | 38.2 | Very low | 52.3 | Low | 151 Ų | 151 | 99.1 Ų | 99.1 | 79% | 0.791 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 117.9 | 157.2 | -70.9 | 171.1 | 0 | 0 | 0 | 107.4 | P220 | P220-L222 VanDerWaalsContact C-N 3.27Å; P220-L222 PolarHBondContact O-N 3.01Å |
| 223 | L | 41.6 | Very low | 55.1 | Low | 152 Ų | 152 | 98.4 Ų | 98.4 | 80% | 0.796 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 129.3 | 171.2 | -81.9 | 166.1 | 0 | 0 | 0 | 108.3 | I221 T225 | I221-L223 PolarHBondContact O-N 2.87Å; L223-T225 PolarHBondContact O-N 2.98Å |
| 224 | P | 57.4 | Low | 58 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 116.1 | -175.8 | 24.3 | -33.6 | 0 | 0 | 0 | 108.9 | V170 Q226 | V170-P224 HydrophobicContact CG1-CB 4.14Å; P224-Q226 VanDerWaalsContact O-CG 3.26Å; P224-Q226 WeakPolarHBondContact O-CG 3.46Å; P224-Q226 PolarHBondContact O-N 2.91Å; P224-Q226 VanDerWaalsContact O-N 3.1Å |
| 225 | T | 71.5 | Confident | 60.8 | Low | 45 Ų | 45 | 92.5 Ų | 92.5 | 28% | 0.276 | 52% | 0.515 | S | S | . | . | trans | -45.5 | 113.6 | 176 | 13.8 | 0 | 0 | 0 | 0 | 109 | D181 L223 W248 | D181-T225 WeakPolarHBondContact OD2-CB 3.5Å; D181-T225 PolarHBondContact OD2-OG1 3.22Å; L223-T225 PolarHBondContact O-N 2.98Å; T225-W248 WeakPolarHBondContact O-CZ3 3.32Å | ||
| 226 | Q | 86.4 | Confident | 63.5 | Low | 65 Ų | 65 | 89.3 Ų | 89.3 | 30% | 0.304 | 50% | 0.499 | S | S | . | . | trans | -97.8 | 145 | -178.3 | -61.6 | -168.4 | 14.8 | 0 | 0 | 110.5 | V169 V170 P224 D249 I269 | V169-Q226 WeakPolarHBondContact O-CA 3.45Å; V170-Q226 HydrophobicContact CG1-CG 3.97Å; P224-Q226 VanDerWaalsContact O-CG 3.26Å; P224-Q226 WeakPolarHBondContact O-CG 3.46Å; P224-Q226 PolarHBondContact O-N 2.91Å; P224-Q226 VanDerWaalsContact O-N 3.1Å; Q226-D249 WeakPolarHBondContact O-CB 3.31Å; Q226-D249 VanDerWaalsContact O-CG 3.22Å; Q226-D249 PolarHBondContact O-N 3.29Å; Q226-I269 HydrophobicContact CG-CD1 4.35Å | ||
| 227 | G | 89.5 | Confident | 65.8 | Low | 0 Ų | 0 | 91.7 Ų | 91.7 | 0% | 0 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 172.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | R168 V169 A247 W248 | R168-G227 WeakPolarHBondContact CA-O 3.45Å; V169-G227 PolarHBondContact N-O 2.98Å; V169-G227 PolarHBondContact O-N 3Å; G227-A247 CarbonylContact C-O 3.54Å; G227-A247 VanDerWaalsContact CA-O 3.27Å; G227-A247 WeakPolarHBondContact CA-O 3.35Å; G227-W248 VanDerWaalsContact CA-CE3 3.48Å; G227-W248 VanDerWaalsContact N-CE3 3.29Å |
| 228 | R | 92.8 | Very high | 67.9 | Low | 137 Ų | 137 | 89.9 Ų | 89.9 | 52% | 0.517 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.8 | 174.9 | -170.8 | -176.3 | -58.4 | 175.6 | 4.8 | 108.9 | A167 T230 A247 | A167-R228 WeakPolarHBondContact O-CA 3.29Å; R228-T230 PolarHBondContact O-N 2.59Å; R228-A247 PolarHBondContact N-O 3.01Å; R228-A247 PolarHBondContact O-N 3.27Å |
| 229 | I | 92.8 | Very high | 70.4 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.01 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 121.9 | 171.6 | -60 | -179.7 | 0 | 0 | 0 | 108.2 | L163 K166 A167 V169 A244 L245 V246 L266 | L163-I229 HydrophobicContact CB-CD1 3.81Å; L163-I229 HydrophobicContact CD2-CD1 3.83Å; L163-I229 HydrophobicContact CG-CD1 4.43Å; K166-I229 PolarHBondContact N-O 3.46Å; A167-I229 HydrophobicContact CB-CD1 4.17Å; A167-I229 HydrophobicContact CB-CG1 4.47Å; A167-I229 PolarHBondContact O-N 3.31Å; V169-I229 HydrophobicContact CG1-CD1 3.98Å; V169-I229 HydrophobicContact CG1-CG1 3.92Å; V169-I229 HydrophobicContact CG2-CG1 4.48Å; I229-A244 HydrophobicContact CD1-CB 4.07Å; I229-A244 HydrophobicContact CG1-CB 4.29Å; I229-A244 HydrophobicContact CG2-CB 4.13Å; I229-L245 CarbonylContact C-O 3.59Å; I229-L245 WeakPolarHBondContact CA-O 3.26Å; I229-V246 HydrophobicContact CG1-CG2 4.37Å; I229-L266 HydrophobicContact CD1-CD1 4.44Å |
| 230 | T | 90.3 | Very high | 73.1 | Confident | 66 Ų | 66 | 82.3 Ų | 82.3 | 41% | 0.405 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -31.5 | 176.9 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | R228 L245 A247 | R228-T230 PolarHBondContact O-N 2.59Å; T230-L245 PolarHBondContact N-O 3.34Å; T230-L245 VanDerWaalsContact OG1-CD2 3.32Å; T230-L245 WeakPolarHBondContact OG1-CD2 3.33Å; T230-L245 WeakPolarHBondContact OG1-CG 3.33Å; T230-L245 PolarHBondContact OG1-O 3.11Å; T230-A247 HydrophobicContact CG2-CB 3.69Å |
| 231 | G | 84.9 | Confident | 76 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 165.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L245 | G231-L245 PolarHBondContact O-N 3.03Å |
| 232 | R | 84.2 | Confident | 78.9 | Confident | 75 Ų | 75 | 70.7 Ų | 70.7 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 153.1 | 162.5 | -74.5 | -170.8 | 175.5 | 163.7 | 1.4 | 109.9 | L163 A243 | L163-R232 PolarHBondContact O-NE 3.31Å; L163-R232 PolarHBondContact O-NH2 3.48Å; R232-A243 WeakPolarHBondContact CA-O 3.22Å |
| 233 | R | 84.8 | Confident | 81.5 | Confident | 128 Ų | 128 | 63.5 Ų | 63.5 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 173.4 | 174.7 | -74.9 | -171.3 | 172.2 | -177.7 | -2.8 | 108.8 | R241 S242 A243 L245 | R233-R241 CarbonylContact O-C 3.5Å; R233-R241 WeakPolarHBondContact O-CA 3.31Å; R233-S242 PolarHBondContact O-N 2.69Å; R233-A243 HydrophobicContact CB-CB 4.41Å; R233-A243 PolarHBondContact N-O 3.06Å; R233-A243 CarbonylContact O-C 3.5Å; R233-A243 WeakPolarHBondContact O-CA 3.42Å; R233-A243 PolarHBondContact O-N 2.99Å; R233-L245 HydrophobicContact CG-CB 4.4Å |
| 234 | D | 87.1 | Confident | 83.9 | Confident | 87 Ų | 87 | 56.3 Ų | 56.3 | 47% | 0.465 | 26% | 0.261 | S | S | . | . | trans | -97.3 | 136.4 | 172.8 | -40.6 | -44.3 | 0 | 0 | 0 | 107.6 | Y236 P240 R241 | D234-Y236 WeakPolarHBondContact CB-O 3.45Å; D234-P240 VanDerWaalsContact OD1-CA 3.24Å; D234-P240 WeakPolarHBondContact OD1-CA 3.38Å; D234-R241 PolarHBondContact OD1-N 3.2Å | ||
| 235 | W | 84.5 | Confident | 85.5 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 27% | 0.269 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -71.7 | -39.5 | 173.3 | -168.2 | -106.3 | 0 | 0 | 0 | 110.7 | S242 A243 V255 R257 Y260 | W235-S242 VanDerWaalsContact CB-OG 3.23Å; W235-S242 WeakPolarHBondContact CB-OG 3.5Å; W235-S242 PolarHBondContact N-OG 3.23Å; W235-A243 HydrophobicContact CB-CB 4.21Å; W235-A243 HydrophobicContact CE3-CB 3.99Å; W235-V255 HydrophobicContact CE3-CG1 4.25Å; W235-V255 HydrophobicContact CZ3-CG1 4.28Å; W235-R257 HydrophobicContact CD2-CG 3.59Å; W235-R257 HydrophobicContact CE3-CG 3.67Å; W235-R257 HydrophobicContact CG-CG 4.29Å; W235-R257 HydrophobicContact CH2-CG 3.72Å; W235-R257 HydrophobicContact CZ2-CG 3.63Å; W235-R257 HydrophobicContact CZ3-CG 3.73Å; W235-Y260 HydrophobicContact CB-CD2 3.9Å; W235-Y260 HydrophobicContact CB-CG 4.01Å; W235-Y260 AromaticContact CD1-CD1 3.54Å; W235-Y260 AromaticContact CD1-CD2 3.59Å; W235-Y260 AromaticContact CD1-CE1 3.9Å; W235-Y260 AromaticContact CD1-CE2 3.93Å; W235-Y260 AromaticContact CD1-CG 3.4Å; W235-Y260 HydrophobicContact CG-CD1 4.31Å; W235-Y260 HydrophobicContact CG-CD2 4.05Å; W235-Y260 AromaticContact CG-CG 3.83Å; W235-Y260 HydrophobicContact CG-CG 3.83Å; W235-Y260 AromaticContact NE1-CD1 3.88Å |
| 236 | Y | 80.9 | Confident | 86.5 | Confident | 85 Ų | 85 | 51.6 Ų | 51.6 | 33% | 0.333 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -136.9 | 158.2 | 164.4 | -66.1 | -71.8 | 0 | 0 | 0 | 109.5 | D234 W238 A239 Y260 | D234-Y236 WeakPolarHBondContact CB-O 3.45Å; Y236-W238 HydrophobicContact CD2-CZ2 4.03Å; Y236-W238 AromaticContact CG-NE1 3.76Å; Y236-W238 PolarHBondContact O-N 3.36Å; Y236-A239 CarbonylContact O-C 3.59Å; Y236-A239 PolarHBondContact O-N 3.39Å; Y236-Y260 HydrophobicContact CD2-CD2 4.36Å; Y236-Y260 AromaticContact CD2-CE2 3.61Å; Y236-Y260 HydrophobicContact CD2-CE2 3.61Å; Y236-Y260 AromaticContact CD2-CZ 3.86Å; Y236-Y260 HydrophobicContact CE2-CE1 4.42Å; Y236-Y260 HydrophobicContact CE2-CE2 4.07Å; Y236-Y260 AromaticContact CE2-CZ 3.84Å |
| 237 | Q | 74.4 | Confident | 86.7 | Confident | 186 Ų | 186 | 49.2 Ų | 49.2 | 87% | 0.869 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25 | 178.4 | -68.5 | 177.3 | -19.1 | 0 | 0 | 114.4 | ||
| 238 | W | 72.4 | Confident | 86.6 | Confident | 90 Ų | 90 | 49.6 Ų | 49.6 | 34% | 0.341 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -9.5 | 178.2 | 60.8 | -97.7 | 0 | 0 | 0 | 113.9 | Y21 G89 Y236 P240 Y260 | Y21-W238 HydrophobicContact CE1-CZ3 4.48Å; Y21-W238 WeakPolarHBondContact OH-CH2 3.35Å; G89-W238 WeakPolarHBondContact CA-O 3.15Å; Y236-W238 HydrophobicContact CD2-CZ2 4.03Å; Y236-W238 AromaticContact CG-NE1 3.76Å; Y236-W238 PolarHBondContact O-N 3.36Å; W238-P240 VanDerWaalsContact C-CD 3.41Å; W238-P240 VanDerWaalsContact O-CD 3.29Å; W238-P240 WeakPolarHBondContact O-CD 3.27Å; W238-Y260 AromaticContact CH2-CE2 3.55Å; W238-Y260 HydrophobicContact CH2-CE2 3.55Å; W238-Y260 AromaticContact CH2-CZ 3.82Å; W238-Y260 VanDerWaalsContact CH2-OH 3.24Å; W238-Y260 WeakPolarHBondContact CH2-OH 3.45Å; W238-Y260 AromaticContact CZ2-CE2 3.76Å; W238-Y260 HydrophobicContact CZ2-CE2 3.76Å; W238-Y260 AromaticContact CZ2-CZ 3.96Å; W238-Y260 VanDerWaalsContact CZ2-OH 3.22Å; W238-Y260 WeakPolarHBondContact CZ2-OH 3.38Å; W238-Y260 HydrophobicContact CZ3-CE2 4.19Å |
| 239 | A | 80.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -119.2 | 71.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y236 S242 Y260 | Y236-A239 CarbonylContact O-C 3.59Å; Y236-A239 PolarHBondContact O-N 3.39Å; A239-S242 VanDerWaalsContact O-CB 3.26Å; A239-S242 WeakPolarHBondContact O-CB 3.41Å; A239-S242 PolarHBondContact O-OG 2.93Å; A239-Y260 HydrophobicContact CB-CD2 3.76Å; A239-Y260 HydrophobicContact CB-CE2 3.98Å |
| 240 | P | 84.8 | Confident | 85.4 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 146.4 | -174 | 24.9 | -34.3 | 0 | 0 | 0 | 113.4 | A86 P87 Y106 D234 W238 S242 | A86-P240 CarbonylContact C-O 3.59Å; A86-P240 HydrophobicContact CB-CG 4.1Å; A86-P240 VanDerWaalsContact O-CD 3.28Å; A86-P240 WeakPolarHBondContact O-CD 3.32Å; A86-P240 WeakPolarHBondContact O-CG 3.48Å; P87-P240 WeakPolarHBondContact CA-O 3.36Å; Y106-P240 HydrophobicContact CD1-CB 4.03Å; Y106-P240 HydrophobicContact CD1-CG 3.51Å; Y106-P240 HydrophobicContact CD2-CB 4.41Å; Y106-P240 HydrophobicContact CE1-CB 4.41Å; Y106-P240 HydrophobicContact CE1-CG 4.09Å; Y106-P240 HydrophobicContact CG-CB 4Å; Y106-P240 HydrophobicContact CG-CG 3.85Å; D234-P240 VanDerWaalsContact OD1-CA 3.24Å; D234-P240 WeakPolarHBondContact OD1-CA 3.38Å; W238-P240 VanDerWaalsContact C-CD 3.41Å; W238-P240 VanDerWaalsContact O-CD 3.29Å; W238-P240 WeakPolarHBondContact O-CD 3.27Å; P240-S242 PolarHBondContact O-N 2.76Å |
| 241 | R | 88.1 | Confident | 84.7 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 15% | 0.151 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 10.1 | -179.8 | -42.6 | -179 | -163.9 | 132.5 | 5.6 | 115.5 | D84 A86 E102 Y106 R233 D234 A243 | D84-R241 VanDerWaalsContact CG-NH1 3.26Å; D84-R241 IonicContact OD1-NH1 3.74Å; D84-R241 PolarHBondContact OD1-NH1 3.44Å; D84-R241 WeakPolarHBondContact OD2-CD 3.44Å; D84-R241 IonicContact OD2-CZ 3.11Å; D84-R241 IonicContact OD2-NH1 2.73Å; D84-R241 PolarHBondContact OD2-NH1 3.42Å; A86-R241 HydrophobicContact CB-CB 4.43Å; A86-R241 HydrophobicContact CB-CG 4.21Å; E102-R241 IonicContact OE1-CZ 3.89Å; E102-R241 IonicContact OE1-NH2 3.68Å; E102-R241 PolarHBondContact OE1-NH2 2.69Å; E102-R241 IonicContact OE2-NH2 3.58Å; Y106-R241 PolarHBondContact O-NH1 3.33Å; Y106-R241 PolarHBondContact O-NH2 3.33Å; R233-R241 CarbonylContact O-C 3.5Å; R233-R241 WeakPolarHBondContact O-CA 3.31Å; D234-R241 PolarHBondContact OD1-N 3.2Å; R241-A243 VanDerWaalsContact C-N 3.26Å; R241-A243 PolarHBondContact O-N 2.71Å |
| 242 | S | 90.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -78.6 | 3.2 | -174.9 | 63.7 | 0 | 0 | 0 | 0 | 115.4 | R233 W235 A239 P240 V258 | R233-S242 PolarHBondContact O-N 2.69Å; W235-S242 VanDerWaalsContact CB-OG 3.23Å; W235-S242 WeakPolarHBondContact CB-OG 3.5Å; W235-S242 PolarHBondContact N-OG 3.23Å; A239-S242 VanDerWaalsContact O-CB 3.26Å; A239-S242 WeakPolarHBondContact O-CB 3.41Å; A239-S242 PolarHBondContact O-OG 2.93Å; P240-S242 PolarHBondContact O-N 2.76Å; S242-V258 CarbonylContact O-C 3.59Å; S242-V258 PolarHBondContact O-N 3.23Å | ||
| 243 | A | 91.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | R232 R233 W235 R241 V255 Y256 | R232-A243 WeakPolarHBondContact CA-O 3.22Å; R233-A243 HydrophobicContact CB-CB 4.41Å; R233-A243 PolarHBondContact N-O 3.06Å; R233-A243 CarbonylContact O-C 3.5Å; R233-A243 WeakPolarHBondContact O-CA 3.42Å; R233-A243 PolarHBondContact O-N 2.99Å; W235-A243 HydrophobicContact CB-CB 4.21Å; W235-A243 HydrophobicContact CE3-CB 3.99Å; R241-A243 VanDerWaalsContact C-N 3.26Å; R241-A243 PolarHBondContact O-N 2.71Å; A243-V255 HydrophobicContact CB-CG1 3.69Å; A243-Y256 CarbonylContact C-O 3.32Å; A243-Y256 WeakPolarHBondContact CA-O 3.45Å; A243-Y256 WeakPolarHBondContact CB-O 3.23Å |
| 244 | A | 92.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I229 V255 Y256 V258 L266 | I229-A244 HydrophobicContact CD1-CB 4.07Å; I229-A244 HydrophobicContact CG1-CB 4.29Å; I229-A244 HydrophobicContact CG2-CB 4.13Å; A244-V255 WeakPolarHBondContact O-CA 3.29Å; A244-Y256 PolarHBondContact N-O 3.35Å; A244-Y256 PolarHBondContact O-N 2.94Å; A244-V258 HydrophobicContact CB-CG2 3.72Å; A244-L266 HydrophobicContact CB-CD1 3.88Å |
| 245 | L | 92.1 | Very high | 84.3 | Confident | 26 Ų | 26 | 46.7 Ų | 46.7 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.5 | 165.8 | -180 | 67.4 | 0 | 0 | 0 | 108.5 | I229 T230 G231 R233 V255 | I229-L245 CarbonylContact C-O 3.59Å; I229-L245 WeakPolarHBondContact CA-O 3.26Å; T230-L245 PolarHBondContact N-O 3.34Å; T230-L245 VanDerWaalsContact OG1-CD2 3.32Å; T230-L245 WeakPolarHBondContact OG1-CD2 3.33Å; T230-L245 WeakPolarHBondContact OG1-CG 3.33Å; T230-L245 PolarHBondContact OG1-O 3.11Å; G231-L245 PolarHBondContact O-N 3.03Å; R233-L245 HydrophobicContact CG-CB 4.4Å; L245-V255 HydrophobicContact CD1-CG2 3.91Å |
| 246 | V | 91.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.8 | 179 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | V169 I229 W248 Y253 N254 Y256 L266 | V169-V246 HydrophobicContact CG2-CG1 3.68Å; V169-V246 HydrophobicContact CG2-CG2 4.02Å; I229-V246 HydrophobicContact CG1-CG2 4.37Å; V246-W248 HydrophobicContact CB-CZ2 4.32Å; V246-W248 HydrophobicContact CG1-CD2 3.82Å; V246-W248 HydrophobicContact CG1-CE3 4.29Å; V246-W248 HydrophobicContact CG1-CG 4.24Å; V246-W248 HydrophobicContact CG1-CH2 4.24Å; V246-W248 HydrophobicContact CG1-CZ2 3.79Å; V246-W248 HydrophobicContact CG1-CZ3 4.46Å; V246-Y253 WeakPolarHBondContact O-CA 3.42Å; V246-N254 PolarHBondContact N-O 3.22Å; V246-N254 PolarHBondContact O-N 3.36Å; V246-N254 VanDerWaalsContact O-N 3.1Å; V246-Y256 HydrophobicContact CB-CD2 3.97Å; V246-Y256 HydrophobicContact CB-CE2 3.97Å; V246-Y256 HydrophobicContact CG2-CD2 3.67Å; V246-Y256 HydrophobicContact CG2-CE2 4.16Å; V246-Y256 HydrophobicContact CG2-CG 4.38Å; V246-L266 HydrophobicContact CG2-CD1 3.53Å; V246-L266 HydrophobicContact CG2-CD2 4.01Å; V246-L266 HydrophobicContact CG2-CG 4.42Å |
| 247 | A | 90.7 | Very high | 85.1 | Confident | 14 Ų | 14 | 40.7 Ų | 40.7 | 12% | 0.116 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 113.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | G227 R228 T230 Y253 | G227-A247 CarbonylContact C-O 3.54Å; G227-A247 VanDerWaalsContact CA-O 3.27Å; G227-A247 WeakPolarHBondContact CA-O 3.35Å; R228-A247 PolarHBondContact N-O 3.01Å; R228-A247 PolarHBondContact O-N 3.27Å; T230-A247 HydrophobicContact CG2-CB 3.69Å; A247-Y253 HydrophobicContact CB-CD1 3.82Å; A247-Y253 HydrophobicContact CB-CE1 3.41Å; A247-Y253 VanDerWaalsContact CB-CE1 3.41Å |
| 248 | W | 88.2 | Confident | 85.9 | Confident | 8 Ų | 8 | 32 Ų | 32 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 150.6 | 176.2 | -63.7 | 102.4 | 0 | 0 | 0 | 110.9 | V169 D181 T225 G227 V246 S250 G251 A252 Y256 L266 | V169-W248 HydrophobicContact CG2-CH2 4.3Å; D181-W248 HydrophobicContact CB-CD2 3.5Å; D181-W248 VanDerWaalsContact CB-CD2 3.5Å; D181-W248 HydrophobicContact CB-CE3 3.92Å; D181-W248 HydrophobicContact CB-CG 3.77Å; D181-W248 HydrophobicContact CB-CZ2 4.14Å; D181-W248 HydrophobicContact CB-CZ3 4.44Å; T225-W248 WeakPolarHBondContact O-CZ3 3.32Å; G227-W248 VanDerWaalsContact CA-CE3 3.48Å; G227-W248 VanDerWaalsContact N-CE3 3.29Å; V246-W248 HydrophobicContact CB-CZ2 4.32Å; V246-W248 HydrophobicContact CG1-CD2 3.82Å; V246-W248 HydrophobicContact CG1-CE3 4.29Å; V246-W248 HydrophobicContact CG1-CG 4.24Å; V246-W248 HydrophobicContact CG1-CH2 4.24Å; V246-W248 HydrophobicContact CG1-CZ2 3.79Å; V246-W248 HydrophobicContact CG1-CZ3 4.46Å; W248-S250 WeakPolarHBondContact CB-OG 3.36Å; W248-S250 PolarHBondContact O-N 3.27Å; W248-S250 VanDerWaalsContact O-N 3.08Å; W248-G251 PolarHBondContact O-N 2.69Å; W248-A252 HydrophobicContact CB-CB 4.25Å; W248-A252 PolarHBondContact N-O 3Å; W248-Y256 AromaticContact CE2-CE2 3.96Å; W248-Y256 AromaticContact CE2-CZ 3.73Å; W248-Y256 AromaticContact CZ2-CE1 3.81Å; W248-Y256 HydrophobicContact CZ2-CE1 3.81Å; W248-Y256 AromaticContact CZ2-CE2 3.89Å; W248-Y256 HydrophobicContact CZ2-CE2 3.89Å; W248-Y256 AromaticContact CZ2-CZ 3.5Å; W248-Y256 AromaticContact NE1-CE2 3.44Å; W248-Y256 AromaticContact NE1-CZ 3.36Å; W248-Y256 PolarHBondContact NE1-OH 2.83Å; W248-L266 HydrophobicContact CH2-CD2 4.17Å; W248-L266 HydrophobicContact CZ2-CD2 4.16Å |
| 249 | D | 84 | Confident | 86.4 | Confident | 103 Ų | 103 | 27.7 Ų | 27.7 | 55% | 0.551 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -12.4 | 177.6 | -67.9 | -16.5 | 0 | 0 | 0 | 112.7 | R168 Q226 G251 | R168-D249 IonicContact CZ-OD1 2.66Å; R168-D249 IonicContact CZ-OD2 2.74Å; R168-D249 VanDerWaalsContact CZ-OD2 3.23Å; R168-D249 IonicContact NH1-OD1 3.72Å; R168-D249 PolarHBondContact NH1-OD1 3.41Å; R168-D249 IonicContact NH1-OD2 2.67Å; R168-D249 PolarHBondContact NH1-OD2 3.36Å; R168-D249 IonicContact NH2-OD1 3.02Å; R168-D249 IonicContact NH2-OD2 3.75Å; R168-D249 PolarHBondContact NH2-OD2 3.22Å; Q226-D249 WeakPolarHBondContact O-CB 3.31Å; Q226-D249 VanDerWaalsContact O-CG 3.22Å; Q226-D249 PolarHBondContact O-N 3.29Å; D249-G251 VanDerWaalsContact C-N 3.29Å |
| 250 | S | 76.3 | Confident | 86.7 | Confident | 49 Ų | 49 | 28.6 Ų | 28.6 | 34% | 0.343 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -11.4 | 169 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | D181 W248 A252 | D181-S250 VanDerWaalsContact O-CB 3.31Å; D181-S250 WeakPolarHBondContact O-CB 3.46Å; D181-S250 PolarHBondContact O-OG 3.43Å; W248-S250 WeakPolarHBondContact CB-OG 3.36Å; W248-S250 PolarHBondContact O-N 3.27Å; W248-S250 VanDerWaalsContact O-N 3.08Å; S250-A252 PolarHBondContact OG-N 2.94Å |
| 251 | G | 75.5 | Confident | 86.5 | Confident | 43 Ų | 43 | 30 Ų | 30 | 44% | 0.443 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 89.5 | -2.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115 | W248 D249 Y253 | W248-G251 PolarHBondContact O-N 2.69Å; D249-G251 VanDerWaalsContact C-N 3.29Å; G251-Y253 VanDerWaalsContact O-CD2 3.23Å; G251-Y253 WeakPolarHBondContact O-CD2 3.38Å; G251-Y253 WeakPolarHBondContact O-CE2 3.43Å |
| 252 | A | 75.6 | Confident | 86.4 | Confident | 8 Ų | 8 | 28.1 Ų | 28.1 | 7% | 0.066 | 16% | 0.163 | C | C | . | . | trans | -73.7 | 140.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V183 W248 S250 | V183-A252 HydrophobicContact CG2-CB 3.89Å; W248-A252 HydrophobicContact CB-CB 4.25Å; W248-A252 PolarHBondContact N-O 3Å; S250-A252 PolarHBondContact OG-N 2.94Å | ||
| 253 | Y | 84 | Confident | 86.4 | Confident | 154 Ų | 154 | 30.2 Ų | 30.2 | 60% | 0.604 | 17% | 0.173 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 105.9 | 177.4 | -75.1 | -100.8 | 0 | 0 | 0 | 110.3 | V246 A247 G251 | V246-Y253 WeakPolarHBondContact O-CA 3.42Å; A247-Y253 HydrophobicContact CB-CD1 3.82Å; A247-Y253 HydrophobicContact CB-CE1 3.41Å; A247-Y253 VanDerWaalsContact CB-CE1 3.41Å; G251-Y253 VanDerWaalsContact O-CD2 3.23Å; G251-Y253 WeakPolarHBondContact O-CD2 3.38Å; G251-Y253 WeakPolarHBondContact O-CE2 3.43Å |
| 254 | N | 86 | Confident | 86.4 | Confident | 57 Ų | 57 | 30.2 Ų | 30.2 | 31% | 0.305 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 164 | -175.8 | -86.1 | -47.4 | 0 | 0 | 0 | 112.9 | Q180 V246 Y256 | Q180-N254 PolarHBondContact O-ND2 3.06Å; V246-N254 PolarHBondContact N-O 3.22Å; V246-N254 PolarHBondContact O-N 3.36Å; V246-N254 VanDerWaalsContact O-N 3.1Å; N254-Y256 VanDerWaalsContact C-CE2 3.47Å; N254-Y256 HydrophobicContact CB-CD2 4.49Å; N254-Y256 HydrophobicContact CB-CE2 3.52Å; N254-Y256 WeakPolarHBondContact O-CD2 3.3Å; N254-Y256 WeakPolarHBondContact O-CE2 3.49Å |
| 255 | V | 87.3 | Confident | 86.4 | Confident | 40 Ų | 40 | 30.2 Ų | 30.2 | 24% | 0.242 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.2 | -174.9 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | W235 A243 A244 L245 | W235-V255 HydrophobicContact CE3-CG1 4.25Å; W235-V255 HydrophobicContact CZ3-CG1 4.28Å; A243-V255 HydrophobicContact CB-CG1 3.69Å; A244-V255 WeakPolarHBondContact O-CA 3.29Å; L245-V255 HydrophobicContact CD1-CG2 3.91Å |
| 256 | Y | 90.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 142.7 | -169.2 | -66.6 | -100.2 | 0 | 0 | 0 | 110.4 | W175 A243 A244 V246 W248 N254 D265 L266 | W175-Y256 HydrophobicContact CD2-CE1 4.29Å; W175-Y256 AromaticContact CE3-CD1 3.72Å; W175-Y256 HydrophobicContact CE3-CD1 3.72Å; W175-Y256 AromaticContact CE3-CE1 3.64Å; W175-Y256 HydrophobicContact CE3-CE1 3.64Å; W175-Y256 HydrophobicContact CH2-CD1 4.07Å; W175-Y256 AromaticContact CH2-CE1 3.31Å; W175-Y256 HydrophobicContact CH2-CE1 3.31Å; W175-Y256 AromaticContact CH2-CZ 3.95Å; W175-Y256 HydrophobicContact CZ2-CE1 4.01Å; W175-Y256 AromaticContact CZ3-CD1 3.39Å; W175-Y256 HydrophobicContact CZ3-CD1 3.39Å; W175-Y256 AromaticContact CZ3-CE1 3.12Å; W175-Y256 HydrophobicContact CZ3-CE1 3.12Å; A243-Y256 CarbonylContact C-O 3.32Å; A243-Y256 WeakPolarHBondContact CA-O 3.45Å; A243-Y256 WeakPolarHBondContact CB-O 3.23Å; A244-Y256 PolarHBondContact N-O 3.35Å; A244-Y256 PolarHBondContact O-N 2.94Å; V246-Y256 HydrophobicContact CB-CD2 3.97Å; V246-Y256 HydrophobicContact CB-CE2 3.97Å; V246-Y256 HydrophobicContact CG2-CD2 3.67Å; V246-Y256 HydrophobicContact CG2-CE2 4.16Å; V246-Y256 HydrophobicContact CG2-CG 4.38Å; W248-Y256 AromaticContact CE2-CE2 3.96Å; W248-Y256 AromaticContact CE2-CZ 3.73Å; W248-Y256 AromaticContact CZ2-CE1 3.81Å; W248-Y256 HydrophobicContact CZ2-CE1 3.81Å; W248-Y256 AromaticContact CZ2-CE2 3.89Å; W248-Y256 HydrophobicContact CZ2-CE2 3.89Å; W248-Y256 AromaticContact CZ2-CZ 3.5Å; W248-Y256 AromaticContact NE1-CE2 3.44Å; W248-Y256 AromaticContact NE1-CZ 3.36Å; W248-Y256 PolarHBondContact NE1-OH 2.83Å; N254-Y256 VanDerWaalsContact C-CE2 3.47Å; N254-Y256 HydrophobicContact CB-CD2 4.49Å; N254-Y256 HydrophobicContact CB-CE2 3.52Å; N254-Y256 WeakPolarHBondContact O-CD2 3.3Å; N254-Y256 WeakPolarHBondContact O-CE2 3.49Å; Y256-D265 HydrophobicContact CD1-CB 4.07Å; Y256-L266 HydrophobicContact CD1-CD2 3.69Å; Y256-L266 HydrophobicContact CD1-CG 4.3Å; Y256-L266 HydrophobicContact CD2-CD2 4.3Å; Y256-L266 HydrophobicContact CE1-CD2 4.34Å; Y256-L266 HydrophobicContact CG-CD1 4.31Å; Y256-L266 HydrophobicContact CG-CD2 3.71Å; Y256-L266 HydrophobicContact CG-CG 4.04Å |
| 257 | R | 91.1 | Very high | 86.4 | Confident | 31 Ų | 31 | 33.1 Ų | 33.1 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 134.6 | 178.7 | -60.5 | 170.9 | -66.4 | -168.7 | 5.6 | 111.1 | D174 W235 L263 D265 | D174-R257 PolarHBondContact O-NH2 3.11Å; W235-R257 HydrophobicContact CD2-CG 3.59Å; W235-R257 HydrophobicContact CE3-CG 3.67Å; W235-R257 HydrophobicContact CG-CG 4.29Å; W235-R257 HydrophobicContact CH2-CG 3.72Å; W235-R257 HydrophobicContact CZ2-CG 3.63Å; W235-R257 HydrophobicContact CZ3-CG 3.73Å; R257-L263 VanDerWaalsContact NH1-CD1 3.31Å; R257-D265 HydrophobicContact CB-CB 4.49Å; R257-D265 WeakPolarHBondContact CB-OD2 3.36Å; R257-D265 VanDerWaalsContact CG-OD2 3.27Å; R257-D265 WeakPolarHBondContact CG-OD2 3.36Å; R257-D265 IonicContact CZ-OD1 3.46Å; R257-D265 IonicContact CZ-OD2 3.58Å; R257-D265 PolarHBondContact N-OD2 3.04Å; R257-D265 VanDerWaalsContact NE-CG 3.31Å; R257-D265 IonicContact NE-OD1 3.78Å; R257-D265 PolarHBondContact NE-OD1 3.48Å; R257-D265 IonicContact NE-OD2 3.67Å; R257-D265 PolarHBondContact NE-OD2 3.26Å; R257-D265 IonicContact NH2-OD1 3.62Å; R257-D265 PolarHBondContact NH2-OD1 2.73Å; R257-D265 IonicContact NH2-OD2 2.86Å; R257-D265 PolarHBondContact O-N 2.93Å |
| 258 | V | 89.5 | Confident | 86.5 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -138.3 | 72.8 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | L163 S242 A244 L266 | L163-V258 HydrophobicContact CB-CG1 4.06Å; L163-V258 HydrophobicContact CD1-CG1 3.71Å; L163-V258 HydrophobicContact CD1-CG2 4.08Å; S242-V258 CarbonylContact O-C 3.59Å; S242-V258 PolarHBondContact O-N 3.23Å; A244-V258 HydrophobicContact CB-CG2 3.72Å; V258-L266 HydrophobicContact CG2-CD1 4.25Å |
| 259 | G | 84.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 104.8 | -10.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G26 S49 G261 G262 L263 | G26-G259 WeakPolarHBondContact CA-O 3.28Å; S49-G259 WeakPolarHBondContact OG-CA 3.25Å; G259-G261 PolarHBondContact O-N 2.83Å; G259-G262 PolarHBondContact O-N 3.46Å; G259-L263 WeakPolarHBondContact CA-O 3.43Å; G259-L263 PolarHBondContact N-O 3.08Å |
| 260 | Y | 86.1 | Confident | 87 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 8% | 0.078 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -59 | 124.5 | 172 | -177.6 | -89.3 | 0 | 0 | 0 | 110.5 | W235 Y236 W238 A239 G262 L263 Y1716 | W235-Y260 HydrophobicContact CB-CD2 3.9Å; W235-Y260 HydrophobicContact CB-CG 4.01Å; W235-Y260 AromaticContact CD1-CD1 3.54Å; W235-Y260 AromaticContact CD1-CD2 3.59Å; W235-Y260 AromaticContact CD1-CE1 3.9Å; W235-Y260 AromaticContact CD1-CE2 3.93Å; W235-Y260 AromaticContact CD1-CG 3.4Å; W235-Y260 HydrophobicContact CG-CD1 4.31Å; W235-Y260 HydrophobicContact CG-CD2 4.05Å; W235-Y260 AromaticContact CG-CG 3.83Å; W235-Y260 HydrophobicContact CG-CG 3.83Å; W235-Y260 AromaticContact NE1-CD1 3.88Å; Y236-Y260 HydrophobicContact CD2-CD2 4.36Å; Y236-Y260 AromaticContact CD2-CE2 3.61Å; Y236-Y260 HydrophobicContact CD2-CE2 3.61Å; Y236-Y260 AromaticContact CD2-CZ 3.86Å; Y236-Y260 HydrophobicContact CE2-CE1 4.42Å; Y236-Y260 HydrophobicContact CE2-CE2 4.07Å; Y236-Y260 AromaticContact CE2-CZ 3.84Å; W238-Y260 AromaticContact CH2-CE2 3.55Å; W238-Y260 HydrophobicContact CH2-CE2 3.55Å; W238-Y260 AromaticContact CH2-CZ 3.82Å; W238-Y260 VanDerWaalsContact CH2-OH 3.24Å; W238-Y260 WeakPolarHBondContact CH2-OH 3.45Å; W238-Y260 AromaticContact CZ2-CE2 3.76Å; W238-Y260 HydrophobicContact CZ2-CE2 3.76Å; W238-Y260 AromaticContact CZ2-CZ 3.96Å; W238-Y260 VanDerWaalsContact CZ2-OH 3.22Å; W238-Y260 WeakPolarHBondContact CZ2-OH 3.38Å; W238-Y260 HydrophobicContact CZ3-CE2 4.19Å; A239-Y260 HydrophobicContact CB-CD2 3.76Å; A239-Y260 HydrophobicContact CB-CE2 3.98Å; Y260-G262 PolarHBondContact O-N 3.1Å; Y260-G262 VanDerWaalsContact O-N 3.11Å; Y260-L263 WeakPolarHBondContact O-CB 3.35Å; Y260-L263 PolarHBondContact O-N 3.2Å; Y260-Y1716 PolarHBondContact OH-O 2.78Å; Y260-Y1716 VanDerWaalsContact OH-O 3.04Å |
| 261 | G | 81.6 | Confident | 87.7 | Confident | 35 Ų | 35 | 40.7 Ų | 40.7 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | 57.9 | 20.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G259 L263 | G259-G261 PolarHBondContact O-N 2.83Å; G261-L263 VanDerWaalsContact C-N 3.26Å; G261-L263 PolarHBondContact O-N 3.08Å |
| 262 | G | 86 | Confident | 88.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | 77.3 | 1.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | V50 G259 Y260 | V50-G262 VanDerWaalsContact O-CA 3.24Å; V50-G262 WeakPolarHBondContact O-CA 3.47Å; G259-G262 PolarHBondContact O-N 3.46Å; Y260-G262 PolarHBondContact O-N 3.1Å; Y260-G262 VanDerWaalsContact O-N 3.11Å |
| 263 | L | 89.7 | Confident | 89.4 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | trans | -90.9 | 146.7 | -174.7 | -56.7 | 175.9 | 0 | 0 | 0 | 112.7 | D174 R257 G259 Y260 G261 | D174-L263 HydrophobicContact CB-CB 4.15Å; D174-L263 HydrophobicContact CB-CD2 4.37Å; D174-L263 WeakPolarHBondContact OD2-CA 3.45Å; R257-L263 VanDerWaalsContact NH1-CD1 3.31Å; G259-L263 WeakPolarHBondContact CA-O 3.43Å; G259-L263 PolarHBondContact N-O 3.08Å; Y260-L263 WeakPolarHBondContact O-CB 3.35Å; Y260-L263 PolarHBondContact O-N 3.2Å; G261-L263 VanDerWaalsContact C-N 3.26Å; G261-L263 PolarHBondContact O-N 3.08Å | ||
| 264 | V | 91.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -135.5 | 98.3 | -178.3 | -168.4 | 0 | 0 | 0 | 0 | 110.9 | S49 V62 L163 D174 L266 | S49-V264 WeakPolarHBondContact OG-CG2 3.24Å; V62-V264 HydrophobicContact CB-CG2 4.06Å; V62-V264 HydrophobicContact CG1-CB 3.98Å; V62-V264 HydrophobicContact CG1-CG2 4.03Å; L163-V264 HydrophobicContact CD1-CG1 3.64Å; D174-V264 PolarHBondContact OD2-N 3.19Å; V264-L266 WeakPolarHBondContact CG1-O 3.45Å; V264-L266 PolarHBondContact O-N 3.45Å |
| 265 | D | 91.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | trans | -75.7 | -2.6 | -175.6 | -65.1 | -16.2 | 0 | 0 | 0 | 113.8 | G172 W175 Y256 R257 | G172-D265 WeakPolarHBondContact CA-O 3.42Å; G172-D265 PolarHBondContact N-O 3.47Å; W175-D265 HydrophobicContact CE3-CB 4.13Å; Y256-D265 HydrophobicContact CD1-CB 4.07Å; R257-D265 HydrophobicContact CB-CB 4.49Å; R257-D265 WeakPolarHBondContact CB-OD2 3.36Å; R257-D265 VanDerWaalsContact CG-OD2 3.27Å; R257-D265 WeakPolarHBondContact CG-OD2 3.36Å; R257-D265 IonicContact CZ-OD1 3.46Å; R257-D265 IonicContact CZ-OD2 3.58Å; R257-D265 PolarHBondContact N-OD2 3.04Å; R257-D265 VanDerWaalsContact NE-CG 3.31Å; R257-D265 IonicContact NE-OD1 3.78Å; R257-D265 PolarHBondContact NE-OD1 3.48Å; R257-D265 IonicContact NE-OD2 3.67Å; R257-D265 PolarHBondContact NE-OD2 3.26Å; R257-D265 IonicContact NH2-OD1 3.62Å; R257-D265 PolarHBondContact NH2-OD1 2.73Å; R257-D265 IonicContact NH2-OD2 2.86Å; R257-D265 PolarHBondContact O-N 2.93Å | ||
| 266 | L | 92.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.1 | -173.9 | -64.1 | 177.3 | 0 | 0 | 0 | 112.3 | L163 V169 I229 A244 V246 W248 Y256 V258 V264 | L163-L266 HydrophobicContact CD1-CB 4.14Å; L163-L266 HydrophobicContact CD2-CB 3.87Å; V169-L266 HydrophobicContact CB-CB 4.45Å; V169-L266 HydrophobicContact CB-CD2 4.31Å; V169-L266 HydrophobicContact CG1-CB 4.38Å; V169-L266 HydrophobicContact CG1-CD1 4.41Å; V169-L266 HydrophobicContact CG2-CD1 4.5Å; V169-L266 HydrophobicContact CG2-CD2 4.15Å; I229-L266 HydrophobicContact CD1-CD1 4.44Å; A244-L266 HydrophobicContact CB-CD1 3.88Å; V246-L266 HydrophobicContact CG2-CD1 3.53Å; V246-L266 HydrophobicContact CG2-CD2 4.01Å; V246-L266 HydrophobicContact CG2-CG 4.42Å; W248-L266 HydrophobicContact CH2-CD2 4.17Å; W248-L266 HydrophobicContact CZ2-CD2 4.16Å; Y256-L266 HydrophobicContact CD1-CD2 3.69Å; Y256-L266 HydrophobicContact CD1-CG 4.3Å; Y256-L266 HydrophobicContact CD2-CD2 4.3Å; Y256-L266 HydrophobicContact CE1-CD2 4.34Å; Y256-L266 HydrophobicContact CG-CD1 4.31Å; Y256-L266 HydrophobicContact CG-CD2 3.71Å; Y256-L266 HydrophobicContact CG-CG 4.04Å; V258-L266 HydrophobicContact CG2-CD1 4.25Å; V264-L266 WeakPolarHBondContact CG1-O 3.45Å; V264-L266 PolarHBondContact O-N 3.45Å |
| 267 | K | 92.4 | Very high | 89.9 | Confident | 84 Ų | 84 | 41.1 Ų | 41.1 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.3 | 170.4 | 171.1 | 170.3 | 179.3 | 126.6 | 0 | 110.1 | S65 V169 V170 I269 | S65-K267 WeakPolarHBondContact O-CE 3.48Å; S65-K267 PolarHBondContact O-NZ 2.82Å; V169-K267 CarbonylContact C-O 3.58Å; V169-K267 VanDerWaalsContact CA-O 3.23Å; V169-K267 WeakPolarHBondContact CA-O 3.41Å; V170-K267 HydrophobicContact CG2-CB 4.2Å; V170-K267 HydrophobicContact CG2-CG 4.44Å; V170-K267 PolarHBondContact N-O 3.31Å; V170-K267 PolarHBondContact O-N 3.39Å; K267-I269 PolarHBondContact O-N 2.94Å |
| 268 | A | 92.1 | Very high | 90 | Very high | 12 Ų | 12 | 40 Ų | 40 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 118.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D64 L163 R168 P271 | D64-A268 WeakPolarHBondContact O-CB 3.41Å; D64-A268 PolarHBondContact O-N 3.38Å; L163-A268 HydrophobicContact CD2-CB 4.08Å; R168-A268 CarbonylContact O-C 3.58Å; R168-A268 WeakPolarHBondContact O-CA 3.18Å; A268-P271 HydrophobicContact CB-CB 4.36Å |
| 269 | I | 90.3 | Very high | 90 | Very high | 87 Ų | 87 | 40 Ų | 40 | 45% | 0.446 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -40.3 | 166.9 | -65 | -176 | 0 | 0 | 0 | 110.2 | R168 V170 Q226 K267 | R168-I269 PolarHBondContact O-N 3.15Å; V170-I269 HydrophobicContact CB-CD1 4.33Å; V170-I269 HydrophobicContact CG1-CD1 3.46Å; V170-I269 VanDerWaalsContact CG1-CD1 3.46Å; V170-I269 HydrophobicContact CG1-CG1 4.29Å; V170-I269 HydrophobicContact CG2-CD1 3.96Å; V170-I269 HydrophobicContact CG2-CG1 4.02Å; Q226-I269 HydrophobicContact CG-CD1 4.35Å; K267-I269 PolarHBondContact O-N 2.94Å |
| 270 | R | 91.8 | Very high | 90.1 | Very high | 186 Ų | 186 | 43.2 Ų | 43.2 | 70% | 0.702 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 97.3 | 172.4 | -174.3 | 173.1 | -76.5 | 154.3 | -4.2 | 107.5 | A167 R168 | A167-R270 WeakPolarHBondContact CA-O 3.3Å; R168-R270 HydrophobicContact CB-CB 3.93Å; R168-R270 HydrophobicContact CG-CB 4.23Å; R168-R270 PolarHBondContact N-O 2.91Å; R168-R270 PolarHBondContact O-N 3.28Å |
| 271 | P | 91.7 | Very high | 90.4 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | trans | -60.3 | 151 | 177.3 | 25.3 | -33.6 | 0 | 0 | 0 | 110.4 | A268 | A268-P271 HydrophobicContact CB-CB 4.36Š| ||
| 272 | S | 94 | Very high | 90.8 | Very high | 22 Ų | 22 | 41 Ų | 41 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 158.4 | 175.5 | -170.9 | 0 | 0 | 0 | 0 | 111 | L161 G162 F164 P165 | L161-S272 WeakPolarHBondContact CA-O 3.27Å; G162-S272 PolarHBondContact N-O 3.04Å; G162-S272 VanDerWaalsContact N-O 3.1Å; G162-S272 PolarHBondContact O-N 3.08Å; F164-S272 WeakPolarHBondContact CD2-O 3.45Å; P165-S272 VanDerWaalsContact O-CB 3.25Å; P165-S272 WeakPolarHBondContact O-CB 3.32Å; P165-S272 PolarHBondContact O-OG 2.77Å |
| 273 | K | 92.1 | Very high | 90.9 | Very high | 134 Ų | 134 | 41 Ų | 41 | 58% | 0.583 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 123.4 | 177.5 | -62.4 | 167.6 | 168.6 | -80.4 | 0 | 109.3 | E159 S160 L161 | E159-K273 HydrophobicContact CG-CB 4.38Å; E159-K273 HydrophobicContact CG-CG 4.37Å; E159-K273 VanDerWaalsContact OE1-CD 3.27Å; E159-K273 WeakPolarHBondContact OE1-CD 3.46Å; E159-K273 WeakPolarHBondContact OE1-CG 3.34Å; E159-K273 IonicContact OE1-NZ 3.03Å; E159-K273 PolarHBondContact OE1-NZ 2.83Å; E159-K273 IonicContact OE2-NZ 3.53Å; E159-K273 PolarHBondContact OE2-NZ 3.19Å; S160-K273 CarbonylContact O-C 3.38Å; S160-K273 WeakPolarHBondContact O-CA 3.31Å; L161-K273 HydrophobicContact CD2-CG 4.12Å |
| 274 | G | 83.8 | Confident | 90.6 | Very high | 33 Ų | 33 | 40.8 Ų | 40.8 | 34% | 0.34 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -8.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116 | S160 | S160-G274 PolarHBondContact O-N 3.36Å; S160-G274 VanDerWaalsContact OG-C 3.27Å; S160-G274 VanDerWaalsContact OG-CA 3.27Å; S160-G274 WeakPolarHBondContact OG-CA 3.07Å |
| 275 | G | 89.8 | Confident | 90.1 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 39% | 0.392 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 112.2 | 165.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S160 | S160-G275 PolarHBondContact N-O 3.1Å; S160-G275 PolarHBondContact OG-N 3.25Å; S160-G275 PolarHBondContact OG-O 3.33Å |
| 276 | M | 93.1 | Very high | 88.8 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 40% | 0.404 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 156.1 | 177.2 | -62.6 | -65.3 | 164.8 | 0 | 0 | 110.9 | H126 V158 E159 | H126-M276 VanDerWaalsContact CB-O 3.24Å; H126-M276 WeakPolarHBondContact CB-O 3.42Å; V158-M276 CarbonylContact O-C 3.55Å; V158-M276 VanDerWaalsContact O-CA 3.32Å; V158-M276 WeakPolarHBondContact O-CA 3.42Å; E159-M276 HydrophobicContact CB-CE 3.84Å; E159-M276 HydrophobicContact CB-SD 3.72Å; E159-M276 HydrophobicContact CG-CE 3.87Å; E159-M276 HydrophobicContact CG-SD 4.16Å |
| 277 | Y | 93.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 158.1 | 167.6 | 65.9 | -85.4 | 0 | 0 | 0 | 111.3 | V30 L83 R157 V158 V279 L282 | V30-Y277 HydrophobicContact CG1-CE1 4.43Å; V30-Y277 HydrophobicContact CG2-CE2 3.83Å; L83-Y277 HydrophobicContact CD1-CD1 3.89Å; L83-Y277 HydrophobicContact CD1-CD2 4.1Å; L83-Y277 HydrophobicContact CD1-CE1 4.5Å; L83-Y277 HydrophobicContact CD1-CG 3.66Å; R157-Y277 CarbonylContact C-O 3.54Å; R157-Y277 VanDerWaalsContact CA-O 3.29Å; R157-Y277 WeakPolarHBondContact CA-O 3.31Å; V158-Y277 HydrophobicContact CB-CE1 3.95Å; V158-Y277 HydrophobicContact CB-CE2 4.24Å; V158-Y277 HydrophobicContact CG1-CE1 3.66Å; V158-Y277 HydrophobicContact CG1-CE2 4.48Å; V158-Y277 WeakPolarHBondContact CG1-OH 3.35Å; V158-Y277 PolarHBondContact N-O 3.49Å; V158-Y277 WeakPolarHBondContact O-CD1 3.47Å; V158-Y277 PolarHBondContact O-N 3.43Å; Y277-V279 HydrophobicContact CD2-CG2 4.25Å; Y277-V279 HydrophobicContact CE2-CB 4.33Å; Y277-V279 HydrophobicContact CE2-CG2 3.77Å; Y277-L282 HydrophobicContact CD2-CD1 3.51Å; Y277-L282 HydrophobicContact CD2-CG 4.27Å; Y277-L282 HydrophobicContact CE2-CD1 3.83Å; Y277-L282 HydrophobicContact CG-CD1 4.39Å |
| 278 | Y | 93.3 | Very high | 85.5 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 106 | 176.5 | -74.9 | -77 | 0 | 0 | 0 | 108.3 | Y125 H126 D128 R152 Q155 R157 D280 H281 | Y125-Y278 HydrophobicContact CE1-CD2 4.37Å; H126-Y278 AromaticContact ND1-CD2 3.6Å; H126-Y278 PolarHBondContact ND1-N 3.13Å; H126-Y278 VanDerWaalsContact ND1-N 3.2Å; D128-Y278 PolarHBondContact OD1-OH 2.95Å; R152-Y278 HydrophobicContact CB-CE1 4.28Å; R152-Y278 HydrophobicContact CB-CE2 4.17Å; R152-Y278 HydrophobicContact CG-CD2 4.25Å; R152-Y278 HydrophobicContact CG-CE2 3.98Å; Q155-Y278 HydrophobicContact CB-CD1 3.62Å; Q155-Y278 HydrophobicContact CB-CE1 3.73Å; R157-Y278 HydrophobicContact CG-CD1 3.69Å; R157-Y278 HydrophobicContact CG-CE1 3.3Å; R157-Y278 HydrophobicContact CG-CE2 4.31Å; R157-Y278 HydrophobicContact CG-CG 4.37Å; Y278-D280 PolarHBondContact O-N 3.33Å; Y278-H281 PolarHBondContact O-N 2.98Å |
| 279 | V | 88 | Confident | 83.5 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -57.7 | -52.3 | -166.8 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | P33 R81 V158 Y277 H281 L282 | P33-V279 HydrophobicContact CG-CG1 4.42Å; R81-V279 WeakPolarHBondContact CD-O 3.38Å; R81-V279 PolarHBondContact NE-O 3.1Å; V158-V279 HydrophobicContact CB-CG2 3.75Å; V158-V279 HydrophobicContact CG2-CG2 3.37Å; Y277-V279 HydrophobicContact CD2-CG2 4.25Å; Y277-V279 HydrophobicContact CE2-CB 4.33Å; Y277-V279 HydrophobicContact CE2-CG2 3.77Å; V279-H281 PolarHBondContact O-N 2.98Å; V279-H281 VanDerWaalsContact O-N 3.16Å; V279-L282 PolarHBondContact O-N 3.04Å |
| 280 | D | 87.2 | Confident | 81.1 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -74.8 | -7.9 | -170.7 | -51.2 | -68.4 | 0 | 0 | 0 | 113.1 | P33 Y278 | P33-D280 VanDerWaalsContact CG-OD1 3.23Å; P33-D280 WeakPolarHBondContact CG-OD1 3.32Å; Y278-D280 PolarHBondContact O-N 3.33Å |
| 281 | H | 91.9 | Very high | 78.2 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -89.4 | -23.9 | 177.8 | -67.4 | -159.6 | 0 | 0 | 0 | 112.2 | W110 Y125 R138 V149 G150 Y278 V279 | W110-H281 HydrophobicContact CH2-CB 4.05Å; W110-H281 HydrophobicContact CZ3-CB 4.3Å; Y125-H281 AromaticContact CE1-ND1 3.98Å; Y125-H281 AromaticContact CZ-ND1 3.82Å; Y125-H281 PolarHBondContact OH-CE1 2.79Å; Y125-H281 PolarHBondContact OH-ND1 3.44Å; R138-H281 VanDerWaalsContact CD-O 3.25Å; R138-H281 WeakPolarHBondContact CD-O 3.35Å; R138-H281 PolarHBondContact NH1-O 2.97Å; V149-H281 HydrophobicContact CG1-CB 3.62Å; V149-H281 VanDerWaalsContact CG1-ND1 3.35Å; V149-H281 WeakPolarHBondContact CG1-ND1 3.21Å; G150-H281 PolarHBondContact O-CE1 3.47Å; Y278-H281 PolarHBondContact O-N 2.98Å; V279-H281 PolarHBondContact O-N 2.98Å; V279-H281 VanDerWaalsContact O-N 3.16Å |
| 282 | L | 90.2 | Very high | 75.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -68.3 | 147.2 | -178.1 | -63.9 | -176.6 | 0 | 0 | 0 | 112.4 | V30 R81 V82 L83 R138 Y277 V279 | V30-L282 HydrophobicContact CG2-CD1 3.74Å; R81-L282 HydrophobicContact CB-CB 3.96Å; R81-L282 HydrophobicContact CB-CD1 4.48Å; R81-L282 PolarHBondContact NH1-O 2.84Å; V82-L282 WeakPolarHBondContact O-CB 3.32Å; V82-L282 WeakPolarHBondContact O-CD2 3.33Å; L83-L282 HydrophobicContact CB-CD1 4.32Å; L83-L282 HydrophobicContact CD1-CD1 3.95Å; R138-L282 VanDerWaalsContact NH1-C 3.32Å; R138-L282 PolarHBondContact NH1-O 3.02Å; Y277-L282 HydrophobicContact CD2-CD1 3.51Å; Y277-L282 HydrophobicContact CD2-CG 4.27Å; Y277-L282 HydrophobicContact CE2-CD1 3.83Å; Y277-L282 HydrophobicContact CG-CD1 4.39Å; V279-L282 PolarHBondContact O-N 3.04Å |
| 283 | P | 87.8 | Confident | 72 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 151.2 | 175 | -17.6 | 29.2 | 0 | 0 | 0 | 112.8 | R81 V82 I108 T140 D287 | R81-P283 CarbonylContact C-O 3.6Å; R81-P283 WeakPolarHBondContact CA-O 2.89Å; R81-P283 VanDerWaalsContact CB-O 3.32Å; R81-P283 WeakPolarHBondContact CB-O 3.45Å; V82-P283 HydrophobicContact CB-CB 4.24Å; V82-P283 HydrophobicContact CB-CG 4.27Å; V82-P283 HydrophobicContact CG2-CB 4.37Å; V82-P283 PolarHBondContact N-O 3.03Å; V82-P283 WeakPolarHBondContact O-CD 3.43Å; I108-P283 HydrophobicContact CD1-CG 3.64Å; T140-P283 HydrophobicContact CG2-CB 4.24Å; T140-P283 HydrophobicContact CG2-CG 3.56Å; P283-D287 WeakPolarHBondContact CA-OD2 3.29Å; P283-D287 HydrophobicContact CB-CB 4.45Å |
| 284 | L | 84 | Confident | 68.9 | Low | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.199 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 147.9 | 162.9 | -59.6 | 172.3 | 0 | 0 | 0 | 108.4 | F78 R81 A286 D287 | F78-L284 HydrophobicContact CB-CD2 4.13Å; F78-L284 HydrophobicContact CD2-CD1 3.78Å; F78-L284 HydrophobicContact CE2-CD1 4.11Å; F78-L284 HydrophobicContact CG-CD1 4.15Å; R81-L284 HydrophobicContact CG-CD2 4.32Å; L284-A286 PolarHBondContact O-N 2.82Å; L284-D287 PolarHBondContact N-OD2 3.31Å; L284-D287 VanDerWaalsContact O-CB 3.3Å; L284-D287 WeakPolarHBondContact O-CB 3.35Å; L284-D287 PolarHBondContact O-N 3.25Å; L284-D287 VanDerWaalsContact O-N 3.09Å |
| 285 | L | 81.4 | Confident | 66.2 | Low | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -62.3 | -27.6 | 177.3 | -176 | 59.8 | 0 | 0 | 0 | 112.4 | V29 V50 F53 A59 C73 L80 V82 L288 | V29-L285 HydrophobicContact CG1-CD1 4.12Å; V29-L285 HydrophobicContact CG1-CD2 4.44Å; V50-L285 HydrophobicContact CG2-CD1 3.95Å; V50-L285 HydrophobicContact CG2-CD2 3.79Å; F53-L285 HydrophobicContact CE1-CD1 4.24Å; F53-L285 HydrophobicContact CE1-CD2 3.97Å; F53-L285 HydrophobicContact CE1-CG 3.95Å; F53-L285 HydrophobicContact CZ-CD1 4.06Å; F53-L285 HydrophobicContact CZ-CG 4.28Å; A59-L285 HydrophobicContact CB-CD2 3.71Å; C73-L285 HydrophobicContact CB-CB 4.29Å; C73-L285 HydrophobicContact CB-CD2 4.09Å; C73-L285 HydrophobicContact CB-CG 4.26Å; L80-L285 HydrophobicContact CB-CB 4.1Å; L80-L285 HydrophobicContact CB-CD2 4.18Å; L80-L285 HydrophobicContact CD1-CD2 3.72Å; L80-L285 PolarHBondContact O-N 2.98Å; L80-L285 VanDerWaalsContact O-N 3.07Å; V82-L285 HydrophobicContact CG2-CD1 3.99Å; L285-L288 HydrophobicContact CD1-CD1 4.22Å; L285-L288 WeakPolarHBondContact O-CB 3.47Å; L285-L288 PolarHBondContact O-N 3.05Å |
| 286 | A | 64.6 | Low | 63.1 | Low | 22 Ų | 22 | 67.1 Ų | 67.1 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -71.2 | -26.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | F78 L284 L288 R289 | F78-A286 HydrophobicContact CD1-CB 3.51Å; F78-A286 HydrophobicContact CE1-CB 3.29Å; F78-A286 HydrophobicContact CZ-CB 4.34Å; L284-A286 PolarHBondContact O-N 2.82Å; A286-L288 PolarHBondContact O-N 3.22Å; A286-R289 PolarHBondContact O-N 3.06Å |
| 287 | D | 60.1 | Low | 60.2 | Low | 68 Ų | 68 | 68.8 Ų | 68.8 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -57.1 | -15.5 | 172.2 | -58.8 | -12 | 0 | 0 | 0 | 111.8 | R138 K144 P283 L284 | R138-D287 IonicContact NH2-OD2 2.74Å; R138-D287 PolarHBondContact NH2-OD2 3Å; K144-D287 PolarHBondContact NZ-O 3.48Å; P283-D287 WeakPolarHBondContact CA-OD2 3.29Å; P283-D287 HydrophobicContact CB-CB 4.45Å; L284-D287 PolarHBondContact N-OD2 3.31Å; L284-D287 VanDerWaalsContact O-CB 3.3Å; L284-D287 WeakPolarHBondContact O-CB 3.35Å; L284-D287 PolarHBondContact O-N 3.25Å; L284-D287 VanDerWaalsContact O-N 3.09Å |
| 288 | L | 54.9 | Low | 57 | Low | 9 Ų | 9 | 72.8 Ų | 72.8 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -84.6 | -34 | 177.2 | -65 | -171.4 | 0 | 0 | 0 | 114.1 | T23 C27 V82 K144 L285 A286 Q290 | T23-L288 WeakPolarHBondContact CB-O 3.38Å; T23-L288 WeakPolarHBondContact O-CB 3.03Å; T23-L288 PolarHBondContact OG1-O 2.93Å; C27-L288 HydrophobicContact CB-CD1 4.45Å; C27-L288 WeakPolarHBondContact SG-CD1 2.84Å; V82-L288 HydrophobicContact CG2-CD1 3.85Å; V82-L288 HydrophobicContact CG2-CG 4.33Å; K144-L288 PolarHBondContact NZ-O 2.88Å; L285-L288 HydrophobicContact CD1-CD1 4.22Å; L285-L288 WeakPolarHBondContact O-CB 3.47Å; L285-L288 PolarHBondContact O-N 3.05Å; A286-L288 PolarHBondContact O-N 3.22Å; L288-Q290 PolarHBondContact O-N 2.91Å |
| 289 | R | 50.3 | Low | 54.1 | Low | 87 Ų | 87 | 79.8 Ų | 79.8 | 33% | 0.328 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 120.6 | -178.6 | -65.1 | -170.5 | -173.8 | -133.2 | 0.8 | 110.3 | E58 C73 A286 | E58-R289 PolarHBondContact O-NH2 3.39Å; C73-R289 PolarHBondContact O-NE 3.38Å; C73-R289 PolarHBondContact SG-NH2 2.84Å; A286-R289 PolarHBondContact O-N 3.06Å |
| 290 | Q | 40.3 | Very low | 51.2 | Low | 139 Ų | 139 | 88.5 Ų | 88.5 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 137.3 | 156.5 | -73.7 | 175.5 | -75.7 | 0 | 0 | 107.7 | T23 L288 S292 | T23-Q290 PolarHBondContact OG1-N 3.12Å; L288-Q290 PolarHBondContact O-N 2.91Å; Q290-S292 PolarHBondContact O-N 3.32Å |
| 291 | Y | 30.7 | Very low | 48.6 | Very low | 217 Ų | 217 | 90.1 Ų | 90.1 | 85% | 0.851 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 123.7 | 164.3 | -83.2 | -92.9 | 0 | 0 | 0 | 107.9 | ||
| 292 | S | 28.9 | Very low | 45.6 | Very low | 91 Ų | 91 | 97 Ų | 97 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -83 | 132.2 | 164.1 | 46.7 | 0 | 0 | 0 | 0 | 108.8 | Q290 E294 | Q290-S292 PolarHBondContact O-N 3.32Å; S292-E294 PolarHBondContact O-N 3.47Å |
| 293 | D | 25.4 | Very low | 42.7 | Very low | 164 Ų | 164 | 102 Ų | 102 | 88% | 0.877 | 56% | 0.558 | S | S | * | * | trans | -68 | 91.6 | 175 | -59.6 | -63.6 | 0 | 0 | 0 | 110.7 | ||||
| 294 | E | 28.5 | Very low | 39.7 | Very low | 167 Ų | 167 | 110.6 Ų | 110.6 | 78% | 0.78 | 60% | 0.598 | S | S | * | * | trans | -79.7 | 127.4 | 167.1 | -76 | -141.3 | 119 | 0 | 0 | 110.8 | S292 C296 | S292-E294 PolarHBondContact O-N 3.47Å; E294-C296 PolarHBondContact O-N 3.21Å | ||
| 295 | P | 26 | Very low | 37.2 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 74% | 0.74 | 63% | 0.631 | S | S | * | * | trans | -74.7 | 110.8 | 175.7 | 30.3 | -32.4 | 0 | 0 | 0 | 109.8 | V297 | P295-V297 PolarHBondContact O-N 3.09Š| ||
| 296 | C | 25.3 | Very low | 34.5 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 84% | 0.838 | 66% | 0.661 | S | S | * | * | trans | -58.8 | 106.3 | 176.4 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | E294 | E294-C296 PolarHBondContact O-N 3.21Š| ||
| 297 | V | 32.2 | Very low | 32.7 | Very low | 117 Ų | 117 | 127 Ų | 127 | 71% | 0.709 | 69% | 0.694 | S | S | * | * | trans | -69 | 126.6 | 168.9 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | P295 | P295-V297 PolarHBondContact O-N 3.09Š| ||
| 298 | P | 26.7 | Very low | 31.1 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 55% | 0.552 | 72% | 0.715 | S | S | * | * | trans | -93.1 | 97.3 | 176.1 | 34.7 | -29.6 | 0 | 0 | 0 | 110.4 | ||||
| 299 | D | 31.7 | Very low | 30 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -92.1 | 140.5 | 162.9 | -83.5 | -43.5 | 0 | 0 | 0 | 110.5 | ||||
| 300 | E | 28 | Very low | 28.9 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -96.3 | 150.9 | -175.2 | -59.7 | -174.1 | 146.8 | 0 | 0 | 112.2 | ||||
| 301 | S | 31.5 | Very low | 28.2 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 132.9 | 100.6 | 143.7 | 68.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 302 | N | 29 | Very low | 27.9 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | 71.4 | 148.4 | 127.1 | -59.6 | -16.1 | 0 | 0 | 0 | 124.1 | |||||
| 303 | S | 29.7 | Very low | 28 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 71.8 | 89.7 | 154.5 | 42.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 304 | E | 25.2 | Very low | 27.9 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | 39.1 | 121 | 116.6 | -59.1 | -175.2 | 119.1 | 0 | 0 | 121.1 | |||||
| 305 | V | 31 | Very low | 27.7 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | 175.4 | 141.1 | 117.9 | 151 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 306 | S | 25.3 | Very low | 27.7 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | cis | 171.6 | 114.1 | -38.8 | 178.3 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 307 | L | 26.3 | Very low | 27.9 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | 32.3 | 125.1 | 161 | -71.6 | 82.6 | 0 | 0 | 0 | 122 | ||||
| 308 | A | 26.9 | Very low | 27.6 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | 165.5 | 149 | 116.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 309 | T | 31.5 | Very low | 27.5 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | cis | -145.5 | 163.3 | 3.8 | -26.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 310 | R | 26 | Very low | 27.3 | Very low | 211 Ų | 211 | 139.2 Ų | 139.2 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -44.8 | 153.2 | -176.7 | -78.1 | 174.7 | 162.2 | 113.1 | 0.6 | 121.5 | ||||
| 311 | H | 26.4 | Very low | 27.2 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 71% | 0.708 | 76% | 0.756 | S | S | * | * | trans | 46.3 | 112.2 | 141.7 | -56.2 | -53.4 | 0 | 0 | 0 | 120.6 | ||||
| 312 | D | 25.2 | Very low | 27 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | -167.8 | -178.3 | 94.5 | -98.7 | -23.4 | 0 | 0 | 0 | 110.9 | |||||
| 313 | L | 29.1 | Very low | 27.2 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | 75.1 | 95.7 | 171.7 | -64.3 | 163.8 | 0 | 0 | 0 | 119.4 | ||||
| 314 | E | 24.7 | Very low | 27.2 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | 46.4 | 125.3 | 125.5 | -58.5 | -162.5 | 133.4 | 0 | 0 | 122.8 | |||||
| 315 | R | 24.7 | Very low | 27.5 | Very low | 225 Ų | 225 | 129.9 Ų | 129.9 | 85% | 0.849 | 70% | 0.704 | S | S | * | * | trans | 56.9 | 71.6 | 147.1 | -58.4 | -178.7 | -172.7 | -143.5 | 0.8 | 117.4 | ||||
| 316 | G | 25.1 | Very low | 27.9 | Very low | 66 Ų | 66 | 124.2 Ų | 124.2 | 68% | 0.68 | 67% | 0.668 | S | S | * | * | trans | -58.6 | 137 | 154.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V318 | G316-V318 PolarHBondContact O-N 3.17Å; G316-V318 VanDerWaalsContact O-N 3.16Å | ||
| 317 | P | 28.9 | Very low | 28.4 | Very low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 65% | 0.654 | S | S | * | * | trans | -73.7 | 107.6 | -178.9 | 28.9 | -33.4 | 0 | 0 | 0 | 110.6 | V319 | P317-V319 PolarHBondContact O-N 3.36Å; P317-V319 VanDerWaalsContact O-N 3.1Å | ||
| 318 | V | 25.7 | Very low | 28.7 | Very low | 131 Ų | 131 | 117.8 Ų | 117.8 | 79% | 0.794 | 63% | 0.626 | S | S | * | * | trans | -59.7 | 113.9 | 169.7 | 177.4 | 0 | 0 | 0 | 0 | 108.6 | G316 P320 | G316-V318 PolarHBondContact O-N 3.17Å; G316-V318 VanDerWaalsContact O-N 3.16Å; V318-P320 WeakPolarHBondContact O-CD 3.4Å | ||
| 319 | V | 26.2 | Very low | 29.1 | Very low | 123 Ų | 123 | 116 Ų | 116 | 75% | 0.745 | 60% | 0.602 | S | S | * | * | trans | -68.3 | 113.2 | 174.3 | -179.9 | 0 | 0 | 0 | 0 | 108 | P317 N321 | P317-V319 PolarHBondContact O-N 3.36Å; P317-V319 VanDerWaalsContact O-N 3.1Å; V319-N321 PolarHBondContact O-N 3.2Å | ||
| 320 | P | 26.1 | Very low | 29.3 | Very low | 68 Ų | 68 | 110.1 Ų | 110.1 | 44% | 0.442 | 57% | 0.567 | S | S | . | * | trans | -70.2 | 135.5 | -177.5 | -17.5 | 32.9 | 0 | 0 | 0 | 110.4 | V318 W322 | V318-P320 WeakPolarHBondContact O-CD 3.4Å; P320-W322 PolarHBondContact O-N 3.45Å | ||
| 321 | N | 26.7 | Very low | 29.5 | Very low | 108 Ų | 108 | 107 Ų | 107 | 58% | 0.578 | 56% | 0.555 | S | S | * | * | trans | -79.5 | 109.3 | 171.5 | -170.7 | -17.5 | 0 | 0 | 0 | 108.5 | V319 T323 | V319-N321 PolarHBondContact O-N 3.2Å; N321-T323 PolarHBondContact O-N 2.77Å; N321-T323 PolarHBondContact OD1-OG1 2.8Å; N321-T323 VanDerWaalsContact OD1-OG1 3.04Å | ||
| 322 | W | 27.9 | Very low | 29.7 | Very low | 187 Ų | 187 | 102 Ų | 102 | 71% | 0.708 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 28 | -167.9 | -72.5 | 80.5 | 0 | 0 | 0 | 114.8 | P320 L328 | P320-W322 PolarHBondContact O-N 3.45Å; W322-L328 HydrophobicContact CE3-CD1 4.48Å; W322-L328 HydrophobicContact CZ3-CD1 4.01Å |
| 323 | T | 31.9 | Very low | 30.1 | Very low | 91 Ų | 91 | 97 Ų | 97 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -12.5 | 179.8 | 44.5 | 0 | 0 | 0 | 0 | 114 | N321 L325 | N321-T323 PolarHBondContact O-N 2.77Å; N321-T323 PolarHBondContact OD1-OG1 2.8Å; N321-T323 VanDerWaalsContact OD1-OG1 3.04Å; T323-L325 PolarHBondContact O-N 2.93Å |
| 324 | N | 29.8 | Very low | 30.3 | Very low | 44 Ų | 44 | 95.7 Ų | 95.7 | 24% | 0.235 | 49% | 0.489 | C | S | . | . | trans | -89.2 | 101.2 | 178.1 | -83.5 | -18.6 | 0 | 0 | 0 | 113 | H326 D327 R795 | N324-H326 PolarHBondContact O-N 2.71Å; N324-D327 HydrophobicContact CB-CB 4.23Å; N324-D327 PolarHBondContact O-N 3.25Å; N324-R795 WeakPolarHBondContact OD1-CD 3.4Å; N324-R795 PolarHBondContact OD1-NE 3.05Å; N324-R795 VanDerWaalsContact OD1-NE 3.13Å; N324-R795 PolarHBondContact OD1-NH1 3.24Å | ||
| 325 | L | 32.8 | Very low | 30.5 | Very low | 99 Ų | 99 | 92.6 Ų | 92.6 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.1 | -34.9 | 169.9 | -140.2 | 77.6 | 0 | 0 | 0 | 112.1 | T323 D327 L328 E329 L825 | T323-L325 PolarHBondContact O-N 2.93Å; L325-D327 PolarHBondContact O-N 3.03Å; L325-L328 WeakPolarHBondContact O-CB 3.23Å; L325-L328 PolarHBondContact O-N 2.64Å; L325-E329 PolarHBondContact O-N 3.49Å; L325-E329 VanDerWaalsContact O-N 3.14Å; L325-L825 HydrophobicContact CD2-CD1 3.66Å |
| 326 | H | 37.9 | Very low | 30.8 | Very low | 27 Ų | 27 | 83.4 Ų | 83.4 | 13% | 0.125 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.5 | -38.7 | -178.9 | -175.2 | -107.4 | 0 | 0 | 0 | 114.3 | N324 L328 E329 S330 D791 N793 A794 | N324-H326 PolarHBondContact O-N 2.71Å; H326-L328 VanDerWaalsContact C-N 3.29Å; H326-L328 PolarHBondContact O-N 3.37Å; H326-E329 PolarHBondContact O-N 3.16Å; H326-S330 PolarHBondContact CE1-OG 3.31Å; H326-S330 PolarHBondContact NE2-OG 2.97Å; H326-S330 WeakPolarHBondContact O-CB 3.37Å; H326-S330 PolarHBondContact O-N 3.13Å; H326-S330 PolarHBondContact O-OG 3.23Å; H326-D791 VanDerWaalsContact CD2-CG 3.43Å; H326-D791 IonicContact CD2-OD1 3.96Å; H326-D791 IonicContact CD2-OD2 2.91Å; H326-D791 WeakPolarHBondContact NE2-CB 3.04Å; H326-N793 WeakPolarHBondContact CB-O 3.49Å; H326-N793 PolarHBondContact CD2-O 2.81Å; H326-A794 PolarHBondContact CD2-N 2.79Å; H326-A794 WeakPolarHBondContact NE2-CA 3.12Å |
| 327 | D | 35.8 | Very low | 30.8 | Very low | 66 Ų | 66 | 83.7 Ų | 83.7 | 35% | 0.353 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -70.3 | -32.1 | -179.3 | -156.8 | -19.1 | 0 | 0 | 0 | 110.4 | N324 L325 R331 | N324-D327 HydrophobicContact CB-CB 4.23Å; N324-D327 PolarHBondContact O-N 3.25Å; L325-D327 PolarHBondContact O-N 3.03Å; D327-R331 WeakPolarHBondContact O-CB 3.25Å; D327-R331 VanDerWaalsContact O-CG 3.26Å; D327-R331 WeakPolarHBondContact O-CG 3.15Å; D327-R331 PolarHBondContact O-N 3.47Å; D327-R331 VanDerWaalsContact O-N 3.08Å; D327-R331 IonicContact OD1-CZ 3.33Å; D327-R331 VanDerWaalsContact OD1-CZ 3.3Å; D327-R331 IonicContact OD1-NE 2.67Å; D327-R331 PolarHBondContact OD1-NE 2.92Å; D327-R331 IonicContact OD1-NH2 3.33Å; D327-R331 PolarHBondContact OD1-NH2 3.19Å; D327-R331 IonicContact OD2-NH2 2.59Å; D327-R331 PolarHBondContact OD2-NH2 3.16Å |
| 328 | L | 34.3 | Very low | 30.8 | Very low | 57 Ų | 57 | 84.4 Ų | 84.4 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.3 | -47.1 | 173.5 | -139.8 | 77.4 | 0 | 0 | 0 | 111.5 | I148 W322 L325 H326 R331 R332 | I148-L328 HydrophobicContact CD1-CD2 3.87Å; I148-L328 HydrophobicContact CD1-CG 4.11Å; I148-L328 HydrophobicContact CG1-CD2 4.45Å; W322-L328 HydrophobicContact CE3-CD1 4.48Å; W322-L328 HydrophobicContact CZ3-CD1 4.01Å; L325-L328 WeakPolarHBondContact O-CB 3.23Å; L325-L328 PolarHBondContact O-N 2.64Å; H326-L328 VanDerWaalsContact C-N 3.29Å; H326-L328 PolarHBondContact O-N 3.37Å; L328-R331 PolarHBondContact O-N 3.37Å; L328-R332 WeakPolarHBondContact O-CB 3.16Å; L328-R332 PolarHBondContact O-N 3.08Å |
| 329 | E | 33.5 | Very low | 30.9 | Very low | 58 Ų | 58 | 83.1 Ų | 83.1 | 27% | 0.271 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.8 | -36.3 | -179.6 | -144.3 | 62.8 | -127.7 | 0 | 0 | 111.6 | L325 H326 R332 R333 D791 | L325-E329 PolarHBondContact O-N 3.49Å; L325-E329 VanDerWaalsContact O-N 3.14Å; H326-E329 PolarHBondContact O-N 3.16Å; E329-R332 VanDerWaalsContact CD-NH1 3.3Å; E329-R332 CarbonylContact O-C 3.56Å; E329-R332 WeakPolarHBondContact O-CB 3.22Å; E329-R332 PolarHBondContact O-N 3.43Å; E329-R332 WeakPolarHBondContact OE1-CD 3.35Å; E329-R332 IonicContact OE1-CZ 2.69Å; E329-R332 IonicContact OE1-NE 2.69Å; E329-R332 IonicContact OE1-NH1 2.69Å; E329-R332 PolarHBondContact OE1-NH1 3.25Å; E329-R332 IonicContact OE2-NH1 3.62Å; E329-R332 PolarHBondContact OE2-NH1 2.84Å; E329-R333 WeakPolarHBondContact O-CB 3.5Å; E329-R333 VanDerWaalsContact O-CG 3.29Å; E329-R333 WeakPolarHBondContact O-CG 3.36Å; E329-R333 PolarHBondContact O-N 3.14Å; E329-D791 WeakPolarHBondContact CB-OD2 3.1Å |
| 330 | S | 37.1 | Very low | 31 | Very low | 15 Ų | 15 | 81.8 Ų | 81.8 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 173.2 | -83.4 | 0 | 0 | 0 | 0 | 113.6 | H326 R333 Q334 | H326-S330 PolarHBondContact CE1-OG 3.31Å; H326-S330 PolarHBondContact NE2-OG 2.97Å; H326-S330 WeakPolarHBondContact O-CB 3.37Å; H326-S330 PolarHBondContact O-N 3.13Å; H326-S330 PolarHBondContact O-OG 3.23Å; S330-R333 CarbonylContact O-C 3.6Å; S330-R333 WeakPolarHBondContact O-CA 3.36Å; S330-R333 WeakPolarHBondContact O-CB 3.35Å; S330-R333 PolarHBondContact O-N 3.37Å; S330-R333 VanDerWaalsContact O-N 3.15Å; S330-Q334 WeakPolarHBondContact O-CG 3.4Å; S330-Q334 PolarHBondContact O-N 3.39Å |
| 331 | R | 30.2 | Very low | 31.1 | Very low | 145 Ų | 145 | 85.6 Ų | 85.6 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.6 | -32.6 | 172 | -68 | 174.9 | -159.5 | -135.2 | 3.7 | 112.3 | D327 L328 R333 Q334 T335 | D327-R331 WeakPolarHBondContact O-CB 3.25Å; D327-R331 VanDerWaalsContact O-CG 3.26Å; D327-R331 WeakPolarHBondContact O-CG 3.15Å; D327-R331 PolarHBondContact O-N 3.47Å; D327-R331 VanDerWaalsContact O-N 3.08Å; D327-R331 IonicContact OD1-CZ 3.33Å; D327-R331 VanDerWaalsContact OD1-CZ 3.3Å; D327-R331 IonicContact OD1-NE 2.67Å; D327-R331 PolarHBondContact OD1-NE 2.92Å; D327-R331 IonicContact OD1-NH2 3.33Å; D327-R331 PolarHBondContact OD1-NH2 3.19Å; D327-R331 IonicContact OD2-NH2 2.59Å; D327-R331 PolarHBondContact OD2-NH2 3.16Å; L328-R331 PolarHBondContact O-N 3.37Å; R331-R333 PolarHBondContact O-N 3.43Å; R331-Q334 PolarHBondContact O-N 3.27Å; R331-Q334 VanDerWaalsContact O-N 3.08Å; R331-T335 WeakPolarHBondContact O-CG2 3.29Å; R331-T335 PolarHBondContact O-OG1 3.47Å |
| 332 | R | 30.8 | Very low | 31.1 | Very low | 49 Ų | 49 | 86 Ų | 86 | 19% | 0.185 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.8 | -17.3 | 166.1 | -159 | -165.7 | -151.4 | 155.1 | 5.2 | 112.3 | I148 L328 E329 Q787 | I148-R332 HydrophobicContact CD1-CB 4.32Å; I148-R332 HydrophobicContact CD1-CG 4.11Å; I148-R332 HydrophobicContact CG2-CG 4.3Å; L328-R332 WeakPolarHBondContact O-CB 3.16Å; L328-R332 PolarHBondContact O-N 3.08Å; E329-R332 VanDerWaalsContact CD-NH1 3.3Å; E329-R332 CarbonylContact O-C 3.56Å; E329-R332 WeakPolarHBondContact O-CB 3.22Å; E329-R332 PolarHBondContact O-N 3.43Å; E329-R332 WeakPolarHBondContact OE1-CD 3.35Å; E329-R332 IonicContact OE1-CZ 2.69Å; E329-R332 IonicContact OE1-NE 2.69Å; E329-R332 IonicContact OE1-NH1 2.69Å; E329-R332 PolarHBondContact OE1-NH1 3.25Å; E329-R332 IonicContact OE2-NH1 3.62Å; E329-R332 PolarHBondContact OE2-NH1 2.84Å; R332-Q787 PolarHBondContact O-NE2 2.98Å |
| 333 | R | 32.9 | Very low | 31 | Very low | 50 Ų | 50 | 88.8 Ų | 88.8 | 19% | 0.189 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 13.2 | 172.3 | -72.1 | 170.6 | 178 | -84.2 | 9.4 | 114.9 | E329 S330 R331 R718 Q787 I789 | E329-R333 WeakPolarHBondContact O-CB 3.5Å; E329-R333 VanDerWaalsContact O-CG 3.29Å; E329-R333 WeakPolarHBondContact O-CG 3.36Å; E329-R333 PolarHBondContact O-N 3.14Å; S330-R333 CarbonylContact O-C 3.6Å; S330-R333 WeakPolarHBondContact O-CA 3.36Å; S330-R333 WeakPolarHBondContact O-CB 3.35Å; S330-R333 PolarHBondContact O-N 3.37Å; S330-R333 VanDerWaalsContact O-N 3.15Å; R331-R333 PolarHBondContact O-N 3.43Å; R333-R718 PolarHBondContact O-NH2 2.91Å; R333-Q787 VanDerWaalsContact CA-NE2 3.32Å; R333-Q787 HydrophobicContact CB-CB 3.98Å; R333-Q787 HydrophobicContact CG-CB 4.32Å; R333-Q787 PolarHBondContact NH1-O 2.92Å; R333-Q787 VanDerWaalsContact O-CB 3.29Å; R333-Q787 WeakPolarHBondContact O-CB 3.49Å; R333-I789 PolarHBondContact NH1-O 3.31Å |
| 334 | Q | 32.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 88.5 Ų | 88.5 | 59% | 0.589 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -133.7 | 8.8 | 178.8 | -74.5 | 174.3 | -17.1 | 0 | 0 | 113.7 | S330 R331 | S330-Q334 WeakPolarHBondContact O-CG 3.4Å; S330-Q334 PolarHBondContact O-N 3.39Å; R331-Q334 PolarHBondContact O-N 3.27Å; R331-Q334 VanDerWaalsContact O-N 3.08Å |
| 335 | T | 30.1 | Very low | 30.5 | Very low | 94 Ų | 94 | 96.6 Ų | 96.6 | 58% | 0.577 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -123.5 | 23.4 | -169.5 | 45.4 | 0 | 0 | 0 | 0 | 114.3 | R331 | R331-T335 WeakPolarHBondContact O-CG2 3.29Å; R331-T335 PolarHBondContact O-OG1 3.47Å |
| 336 | T | 30.1 | Very low | 30.1 | Very low | 32 Ų | 32 | 103.9 Ų | 103.9 | 20% | 0.196 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -129.4 | -6 | 175.3 | 79.4 | 0 | 0 | 0 | 0 | 118.1 | R783 Q787 | T336-R783 PolarHBondContact O-NH2 3.11Å; T336-Q787 PolarHBondContact OG1-NE2 3.07Å; T336-Q787 PolarHBondContact OG1-OE1 3.04Å |
| 337 | R | 26.2 | Very low | 29.5 | Very low | 71 Ų | 71 | 105.9 Ų | 105.9 | 27% | 0.268 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -128.6 | 140.5 | 161.4 | -56 | 177.9 | -145.4 | -146.1 | -9.9 | 109.7 | R783 F784 D785 S786 | R337-R783 HydrophobicContact CB-CB 4.39Å; R337-R783 HydrophobicContact CG-CB 4.49Å; R337-F784 WeakPolarHBondContact CD-O 3.39Å; R337-F784 VanDerWaalsContact CZ-O 3.23Å; R337-F784 PolarHBondContact NE-O 3.29Å; R337-F784 PolarHBondContact NH1-O 3.49Å; R337-D785 VanDerWaalsContact CB-OD2 3.23Å; R337-D785 WeakPolarHBondContact CB-OD2 3.44Å; R337-D785 VanDerWaalsContact CD-CG 3.43Å; R337-D785 WeakPolarHBondContact CD-OD1 3.44Å; R337-D785 HydrophobicContact CG-CB 4.46Å; R337-D785 VanDerWaalsContact CG-OD2 3.32Å; R337-D785 WeakPolarHBondContact CG-OD2 3.34Å; R337-D785 IonicContact CZ-OD1 3.86Å; R337-D785 PolarHBondContact N-OD2 3.23Å; R337-D785 IonicContact NE-OD1 3.04Å; R337-D785 PolarHBondContact NE-OD1 2.84Å; R337-D785 IonicContact NE-OD2 2.67Å; R337-D785 IonicContact NH2-OD1 3.19Å; R337-D785 PolarHBondContact NH2-OD1 2.85Å; R337-S786 PolarHBondContact NH2-OG 3.22Å |
| 338 | N | 27.7 | Very low | 29 | Very low | 131 Ų | 131 | 113 Ų | 113 | 70% | 0.701 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 61.6 | 120.5 | -152.9 | -45 | -25 | 0 | 0 | 0 | 109.6 | ||
| 339 | V | 28.1 | Very low | 28.5 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | cis | -127.6 | 118.3 | 28.3 | 176.4 | 0 | 0 | 0 | 0 | 111 | D341 V342 | V339-D341 VanDerWaalsContact CG1-C 3.49Å; V339-D341 VanDerWaalsContact CG1-N 3.26Å; V339-V342 HydrophobicContact CG1-CG2 4.34Å | ||
| 340 | D | 28 | Very low | 28.1 | Very low | 95 Ų | 95 | 118.6 Ų | 118.6 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -110.3 | 40.5 | 154.7 | -79.8 | -73.8 | 0 | 0 | 0 | 108.7 | K154 R783 | K154-D340 IonicContact NZ-OD1 2.88Å; K154-D340 PolarHBondContact NZ-OD1 3.49Å; D340-R783 IonicContact OD2-CZ 2.76Å; D340-R783 IonicContact OD2-NH1 3.84Å; D340-R783 PolarHBondContact OD2-NH1 3Å; D340-R783 IonicContact OD2-NH2 3.44Å; D340-R783 PolarHBondContact OD2-NH2 3.25Å |
| 341 | D | 27.9 | Very low | 27.5 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 62% | 0.622 | S | S | * | * | trans | -162.1 | 62.8 | -174 | -130.7 | -10.8 | 0 | 0 | 0 | 114.5 | V339 | V339-D341 VanDerWaalsContact CG1-C 3.49Å; V339-D341 VanDerWaalsContact CG1-N 3.26Å | ||
| 342 | V | 28 | Very low | 27.4 | Very low | 118 Ų | 118 | 128 Ų | 128 | 72% | 0.715 | 63% | 0.629 | S | S | * | * | trans | -151.7 | 84.8 | 146.7 | -172.8 | 0 | 0 | 0 | 0 | 109 | V339 | V339-V342 HydrophobicContact CG1-CG2 4.34Š| ||
| 343 | Y | 25.8 | Very low | 27.3 | Very low | 245 Ų | 245 | 132.7 Ų | 132.7 | 96% | 0.961 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -123.3 | 25.6 | 162.4 | -121.1 | -77.2 | 0 | 0 | 0 | 111.8 | ||
| 344 | A | 26.2 | Very low | 27.1 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | trans | -147.1 | 68.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 345 | Y | 24.8 | Very low | 26.9 | Very low | 213 Ų | 213 | 133.3 Ų | 133.3 | 84% | 0.835 | 69% | 0.688 | S | S | * | * | trans | -147.4 | 86.8 | 150 | -127.4 | -80.2 | 0 | 0 | 0 | 112.3 | ||||
| 346 | R | 24.1 | Very low | 26.9 | Very low | 253 Ų | 253 | 135.3 Ų | 135.3 | 96% | 0.955 | 69% | 0.694 | S | S | * | * | trans | -124.5 | 86.3 | 173.4 | -163 | -176.7 | -166.9 | -157.8 | 4 | 110.9 | ||||
| 347 | G | 24.5 | Very low | 26.8 | Very low | 68 Ų | 68 | 143.2 Ų | 143.2 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | 89.6 | 105.7 | 159 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 348 | R | 25.6 | Very low | 27 | Very low | 217 Ų | 217 | 144.7 Ų | 144.7 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | trans | -161.8 | 150.8 | 144.4 | -79.4 | -154 | -174.4 | 176.2 | 3.6 | 107.6 | ||||
| 349 | I | 24.6 | Very low | 27.1 | Very low | 148 Ų | 148 | 143.2 Ų | 143.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | cis | -163.2 | 141.5 | -31.8 | -126.1 | 167.8 | 0 | 0 | 0 | 108 | ||||
| 350 | S | 25.1 | Very low | 27.1 | Very low | 84 Ų | 84 | 143 Ų | 143 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | trans | 55.9 | 106.2 | 148.1 | -170.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 351 | R | 24.7 | Very low | 27.2 | Very low | 225 Ų | 225 | 145.6 Ų | 145.6 | 85% | 0.849 | 76% | 0.76 | S | S | * | * | 79.5 | 164.1 | 124 | -66.6 | -179.5 | 177.6 | 170.2 | -1.9 | 122.7 | |||||
| 352 | N | 27 | Very low | 27.2 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 73.7 | 130.4 | 174.2 | -64.3 | 63.1 | 0 | 0 | 0 | 115.6 | ||||
| 353 | D | 30 | Very low | 27.2 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | cis | -154.8 | 155.3 | -20.4 | -82.7 | -46.2 | 0 | 0 | 0 | 106.1 | ||||
| 354 | G | 28.9 | Very low | 27.3 | Very low | 55 Ų | 55 | 137.9 Ų | 137.9 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | cis | 172.5 | 175.4 | -2.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 355 | T | 28.1 | Very low | 27.3 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | 60.6 | 132.7 | 164.9 | 50.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 356 | L | 28.7 | Very low | 27.8 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 71% | 0.707 | 75% | 0.75 | S | S | * | * | cis | -153.6 | 170.1 | -3.7 | -76.9 | 141.3 | 0 | 0 | 0 | 106.4 | ||||
| 357 | Y | 29.3 | Very low | 27.9 | Very low | 199 Ų | 199 | 134.3 Ų | 134.3 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | cis | -155.2 | 146.1 | 6 | -133.9 | -50.9 | 0 | 0 | 0 | 109.6 | ||||
| 358 | S | 29.5 | Very low | 28.2 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 57.7 | 140.1 | 152.7 | 49.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 359 | S | 29.8 | Very low | 28.3 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | cis | -175.2 | 138.8 | -11.9 | 46 | 0 | 0 | 0 | 0 | 113 | ||||
| 360 | S | 28.9 | Very low | 28.5 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | trans | 60.2 | 153.2 | 148.8 | 56.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 361 | N | 29 | Very low | 28.3 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | cis | -171.4 | 173.5 | -8.4 | -104.3 | 6.2 | 0 | 0 | 0 | 108.5 | ||||
| 362 | S | 27.8 | Very low | 28.6 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -178.2 | 128 | -34.8 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 363 | G | 29.2 | Very low | 28.5 | Very low | 70 Ų | 70 | 138.8 Ų | 138.8 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 137.6 | 121.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 364 | Q | 27.3 | Very low | 28.5 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | cis | 90.5 | 113.1 | 41.5 | -72.8 | -173.4 | -27.8 | 0 | 0 | 114.8 | ||||
| 365 | Y | 27.3 | Very low | 28.3 | Very low | 224 Ų | 224 | 140.8 Ų | 140.8 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | 174.7 | 142.3 | 120.6 | -100.1 | -72.5 | 0 | 0 | 0 | 111.9 | |||||
| 366 | P | 34.2 | Very low | 28.3 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | -125.2 | -162.8 | -178.6 | 44.2 | -31.3 | 0 | 0 | 0 | 115.6 | ||||
| 367 | D | 27 | Very low | 28.2 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | 72.5 | 152.9 | 172.8 | -52.8 | -32.1 | 0 | 0 | 0 | 116.7 | ||||
| 368 | T | 31.2 | Very low | 28.1 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | cis | -132.6 | -178.7 | 3.1 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 369 | G | 26 | Very low | 27.9 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | 136.4 | 57.5 | -12.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 370 | Y | 28.5 | Very low | 27.7 | Very low | 228 Ų | 228 | 140.8 Ų | 140.8 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | trans | -133.3 | 146.2 | 175.8 | -93.2 | -78.1 | 0 | 0 | 0 | 116.4 | ||||
| 371 | R | 22.5 | Very low | 27.9 | Very low | 238 Ų | 238 | 144.8 Ų | 144.8 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -146.5 | 144.9 | 174.9 | -105.4 | -172.5 | 173.6 | -170.7 | -1.3 | 108.7 | ||||
| 372 | T | 30.4 | Very low | 27.9 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -158 | 155.6 | 150.6 | 25 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 373 | N | 24.9 | Very low | 27.9 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -71.8 | 174.6 | 175 | -56 | -23.1 | 0 | 0 | 0 | 110.1 | ||||
| 374 | S | 29.4 | Very low | 27.7 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | cis | -175.7 | 156.8 | 46.5 | 54.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 375 | N | 25.7 | Very low | 27.6 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 45.7 | 137.2 | 145.8 | -54.6 | -1.6 | 0 | 0 | 0 | 120.7 | ||||
| 376 | V | 26.8 | Very low | 27.5 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | 171 | 129.4 | 115.7 | 150.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 377 | L | 27.6 | Very low | 26.9 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 62.4 | 112.5 | 158 | -75.1 | 168.6 | 0 | 0 | 0 | 122.7 | ||||
| 378 | S | 26.6 | Very low | 27 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | 63.7 | 146.6 | 120.7 | 70.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 379 | N | 25.7 | Very low | 26.7 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -159.6 | 162.4 | -10.3 | -111.4 | 26.1 | 0 | 0 | 0 | 109.6 | ||||
| 380 | E | 26.5 | Very low | 26.8 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 61.7 | 125.4 | 152.1 | -72.5 | 153.6 | -118.8 | 0 | 0 | 121.8 | ||||
| 381 | E | 31.6 | Very low | 26.7 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -91.1 | 159.9 | 158.5 | -139.7 | 176.9 | -137.3 | 0 | 0 | 108.5 | ||||
| 382 | P | 30.8 | Very low | 26.9 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | -155.1 | -171.8 | 96.5 | 41.1 | -22.1 | 0 | 0 | 0 | 115.3 | |||||
| 383 | A | 26.6 | Very low | 26.6 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | trans | -95.9 | -171.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 384 | A | 25.1 | Very low | 26.8 | Very low | 91 Ų | 91 | 121.9 Ų | 121.9 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | 94.1 | 114.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 385 | S | 25.6 | Very low | 26.7 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | 31.7 | 127.5 | 137 | 59.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 386 | S | 24.1 | Very low | 26.7 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | 86.5 | 157.1 | 130.3 | 77.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 387 | C | 23.6 | Very low | 26.7 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | trans | 74.2 | 119.5 | 167.6 | -61.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 388 | L | 27.3 | Very low | 26.8 | Very low | 148 Ų | 148 | 121 Ų | 121 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | 65 | 136.5 | 83.4 | -66.1 | 157.9 | 0 | 0 | 0 | 111.5 | |||||
| 389 | N | 26.5 | Very low | 26.8 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 68% | 0.679 | 72% | 0.722 | S | S | * | * | cis | -161 | 166.7 | 10.5 | -132.4 | -18.1 | 0 | 0 | 0 | 105.7 | ||||
| 390 | V | 26.6 | Very low | 26.9 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | -169.3 | 140.4 | 52.6 | 169.9 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 391 | C | 26.6 | Very low | 27.3 | Very low | 132 Ų | 132 | 123 Ų | 123 | 89% | 0.892 | 72% | 0.719 | S | S | * | * | trans | -159.3 | 103.5 | 135.3 | -122.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 392 | T | 27.5 | Very low | 27 | Very low | 82 Ų | 82 | 119 Ų | 119 | 50% | 0.503 | 71% | 0.711 | S | S | . | * | trans | -119.8 | 176.6 | -163.7 | 42.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 393 | L | 24.6 | Very low | 26.6 | Very low | 162 Ų | 162 | 117.8 Ų | 117.8 | 85% | 0.848 | 71% | 0.706 | S | S | * | * | trans | 84.8 | 133.5 | -176 | -51.2 | 160.9 | 0 | 0 | 0 | 112.4 | ||||
| 394 | A | 28.1 | Very low | 26.6 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 66% | 0.661 | 71% | 0.706 | S | S | * | * | cis | -121.7 | 145.9 | 3.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 395 | S | 27.6 | Very low | 26.6 | Very low | 65 Ų | 65 | 124.6 Ų | 124.6 | 46% | 0.455 | 71% | 0.709 | S | S | . | * | cis | 98.2 | 152.8 | 46.3 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | G1636 S1637 | S395-G1636 CarbonylContact C-O 3.43Å; S395-G1636 VanDerWaalsContact C-O 3.27Å; S395-G1636 CarbonylContact O-C 3.43Å; S395-S1637 WeakPolarHBondContact CA-OG 3.34Å; S395-S1637 PolarHBondContact N-OG 2.69Å; S395-S1637 PolarHBondContact O-OG 3.21Å | ||
| 396 | R | 25.8 | Very low | 26.5 | Very low | 150 Ų | 150 | 125 Ų | 125 | 57% | 0.566 | 71% | 0.712 | S | S | * | * | -151.1 | 138.9 | -79.3 | -141.8 | -179.2 | -173.7 | -179.1 | -1.7 | 110.2 | G1636 S1637 R1638 | R396-G1636 CarbonylContact C-O 3.46Å; R396-G1636 WeakPolarHBondContact CA-O 3.49Å; R396-G1636 PolarHBondContact N-O 3.49Å; R396-S1637 CarbonylContact C-O 3.37Å; R396-S1637 WeakPolarHBondContact CA-O 3.22Å; R396-R1638 HydrophobicContact CG-CB 4.41Å; R396-R1638 PolarHBondContact NE-O 3.26Å; R396-R1638 PolarHBondContact NH2-O 2.87Å | |||
| 397 | L | 26.9 | Very low | 26.5 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | trans | 138.7 | 120.2 | 166.6 | -76.8 | 154.6 | 0 | 0 | 0 | 109.7 | G1636 S1637 | L397-G1636 PolarHBondContact N-O 3.36Å; L397-S1637 PolarHBondContact N-O 3.01Å | ||
| 398 | H | 28.9 | Very low | 26.8 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | 65.6 | 132.2 | 76.2 | -71.7 | -66.6 | 0 | 0 | 0 | 114.3 | |||||
| 399 | L | 27.3 | Very low | 26.7 | Very low | 166 Ų | 166 | 124.7 Ų | 124.7 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | -143.2 | 179 | 53.5 | -84.4 | 162.5 | 0 | 0 | 0 | 116.2 | |||||
| 400 | Q | 27.3 | Very low | 26.7 | Very low | 177 Ų | 177 | 123.8 Ų | 123.8 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | -145.6 | -171.8 | 178.8 | -104.8 | -159.4 | -12.1 | 0 | 0 | 107.6 | ||||
| 401 | P | 34.6 | Very low | 26.7 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 60% | 0.604 | 71% | 0.706 | S | S | * | * | -137.1 | -161.9 | -55.5 | 40.5 | -21.7 | 0 | 0 | 0 | 112.8 | |||||
| 402 | S | 25.3 | Very low | 26.8 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | trans | 81 | 134.8 | 139.3 | 64.3 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 403 | S | 23.5 | Very low | 26.7 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | 57.9 | 117.1 | 141.2 | 58.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 404 | I | 26.9 | Very low | 26.7 | Very low | 155 Ų | 155 | 121 Ų | 121 | 80% | 0.795 | 69% | 0.689 | S | S | * | * | -168.2 | 98.7 | 129.3 | -96.3 | 150.8 | 0 | 0 | 0 | 103.8 | |||||
| 405 | E | 23.9 | Very low | 26.5 | Very low | 176 Ų | 176 | 126 Ų | 126 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | 79.9 | 145.9 | 89.3 | -81.2 | -167.9 | 150.1 | 0 | 0 | 114.2 | |||||
| 406 | S | 23.3 | Very low | 26.3 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | -55.4 | 151.2 | 179.9 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 407 | S | 25.3 | Very low | 26.2 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 66% | 0.657 | 70% | 0.701 | S | S | * | * | -173.6 | 164.6 | 102.9 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 408 | H | 29.4 | Very low | 26.1 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | 38.5 | 111.1 | 159 | -59.7 | -53 | 0 | 0 | 0 | 119.1 | ||||
| 409 | S | 25.7 | Very low | 25.8 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | 52.8 | 125.6 | 68.4 | 85.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 410 | T | 26.3 | Very low | 25.6 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | cis | -164.7 | 153.3 | 44.9 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 411 | N | 25.6 | Very low | 25.4 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | trans | 64 | 158 | 148.6 | -59.4 | -22.4 | 0 | 0 | 0 | 116 | T413 | N411-T413 HydrophobicContact CB-CG2 4.22Š| ||
| 412 | V | 28.1 | Very low | 24.9 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 81% | 0.806 | 70% | 0.704 | S | S | * | * | cis | -108.7 | 100.2 | 20.4 | 170.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 413 | T | 26.2 | Very low | 24.7 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 47% | 0.466 | 71% | 0.705 | S | S | . | * | 50.3 | 120.1 | 106.6 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | N411 | N411-T413 HydrophobicContact CB-CG2 4.22Š| |||
| 414 | S | 24.3 | Very low | 24.8 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | 56.8 | 126.8 | 72.1 | -158 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 415 | R | 24.4 | Very low | 24.5 | Very low | 183 Ų | 183 | 132 Ų | 132 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | -155.7 | 146.5 | 68.5 | -113.8 | 94.1 | -154.9 | -111.6 | 7.7 | 109.7 | |||||
| 416 | R | 23.2 | Very low | 24.6 | Very low | 195 Ų | 195 | 134.9 Ų | 134.9 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | 50.6 | 140 | 92.1 | -73.8 | -169.1 | -172.9 | 177.1 | -0.2 | 113.3 | |||||
| 417 | S | 23.4 | Very low | 24.6 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 51% | 0.51 | 70% | 0.696 | S | S | . | * | cis | 167.7 | 173.2 | 4 | 48.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 418 | H | 25 | Very low | 24.4 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.787 | 71% | 0.711 | S | S | * | * | trans | 71.5 | 145.6 | 149.5 | -62.9 | -32.5 | 0 | 0 | 0 | 115.6 | ||||
| 419 | S | 23.8 | Very low | 24.2 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | cis | -177 | 170 | -11.2 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 420 | R | 21.7 | Very low | 24 | Very low | 219 Ų | 219 | 139.3 Ų | 139.3 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | trans | 73.4 | 145.7 | 150.4 | -69.3 | 158.6 | -165.8 | -127.7 | 0.9 | 117.4 | ||||
| 421 | L | 23.4 | Very low | 24 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | 71.8 | 141.1 | 163.8 | -57.4 | 145.1 | 0 | 0 | 0 | 113.4 | ||||
| 422 | S | 24.8 | Very low | 23.9 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | cis | -135.4 | 155.3 | 8.8 | -67.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 423 | R | 20.6 | Very low | 23.8 | Very low | 190 Ų | 190 | 145.2 Ų | 145.2 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | trans | -64.8 | 158.4 | 156.8 | -135.5 | -178.3 | -163.3 | 179.3 | 1.8 | 109.1 | Q425 | R423-Q425 HydrophobicContact CG-CG 4.44Å; R423-Q425 VanDerWaalsContact CZ-CD 3.43Å | ||
| 424 | P | 26.2 | Very low | 23.8 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 81% | 0.805 | 73% | 0.725 | S | S | * | * | -129.5 | 155.5 | 107.4 | 35.6 | -29.9 | 0 | 0 | 0 | 114.3 | |||||
| 425 | Q | 20.8 | Very low | 23.9 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 46% | 0.463 | 73% | 0.733 | S | S | . | * | trans | -116 | -171.8 | 156.8 | -70.4 | -176 | -63.4 | 0 | 0 | 107.2 | R423 | R423-Q425 HydrophobicContact CG-CG 4.44Å; R423-Q425 VanDerWaalsContact CZ-CD 3.43Å | ||
| 426 | Y | 25.2 | Very low | 24.1 | Very low | 235 Ų | 235 | 149.7 Ų | 149.7 | 92% | 0.922 | 74% | 0.739 | S | S | * | * | trans | 76.1 | 147.7 | -176.2 | -51 | -78.4 | 0 | 0 | 0 | 113.9 | ||||
| 427 | G | 23.7 | Very low | 24.5 | Very low | 70 Ų | 70 | 146.5 Ų | 146.5 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | cis | 179 | 159.2 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 428 | W | 21.2 | Very low | 24.8 | Very low | 256 Ų | 256 | 146.9 Ų | 146.9 | 97% | 0.97 | 76% | 0.759 | S | S | * | * | trans | -72.7 | 147.3 | -175.8 | -56.9 | -42.8 | 0 | 0 | 0 | 114.5 | ||||
| 429 | S | 23.7 | Very low | 25 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -166.1 | 108.1 | 139.3 | -71.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 430 | T | 23.1 | Very low | 25 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | 58.1 | 98.3 | 78.6 | 64.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 431 | D | 25.6 | Very low | 25.2 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | -162.9 | 134.6 | 117.8 | -91.6 | -32.8 | 0 | 0 | 0 | 106.9 | |||||
| 432 | R | 23.4 | Very low | 25.4 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | 59.9 | 133 | 83.9 | -78.4 | 175.1 | 163.8 | 158.6 | -4.7 | 112.6 | |||||
| 433 | E | 27.1 | Very low | 25.6 | Very low | 150 Ų | 150 | 139 Ų | 139 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | -155 | 149 | 27.2 | -129.1 | 146.1 | -140.2 | 0 | 0 | 113.3 | ||||
| 434 | T | 25.5 | Very low | 26 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 60% | 0.595 | 77% | 0.774 | S | S | * | * | trans | 31.5 | 123.9 | 138.9 | 55.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 435 | E | 26.9 | Very low | 26.2 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 119.7 | 154.7 | 86.7 | -92.8 | 165.4 | -157 | 0 | 0 | 109.2 | |||||
| 436 | E | 27.7 | Very low | 26.7 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -136 | 164.3 | -4.5 | -74.1 | -158.9 | 111.4 | 0 | 0 | 111 | ||||
| 437 | P | 31.1 | Very low | 26.7 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -116.1 | 153.8 | 170 | 39.4 | -29.4 | 0 | 0 | 0 | 115.7 | ||||
| 438 | G | 30.5 | Very low | 26.8 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 171.8 | 163.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 439 | S | 28.4 | Very low | 27 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | -157.4 | 172.1 | -10 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 440 | L | 25.3 | Very low | 27 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -65.9 | 153.8 | -166.9 | -59.8 | 79.2 | 0 | 0 | 0 | 116.2 | ||||
| 441 | C | 26.2 | Very low | 27.2 | Very low | 131 Ų | 131 | 128.3 Ų | 128.3 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | 171.5 | 125.4 | 120.1 | -86.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 442 | A | 25.9 | Very low | 27.1 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | cis | 100.9 | 90.8 | 22.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 443 | A | 29.5 | Very low | 27.2 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -165.7 | 113.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 444 | N | 29.6 | Very low | 27 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | 38.9 | 145.1 | 126.7 | -58.6 | -11.5 | 0 | 0 | 0 | 122.1 | |||||
| 445 | V | 29 | Very low | 27 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | cis | 164.9 | 155.7 | -13 | 119.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 446 | P | 32.2 | Very low | 26.9 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | cis | -138.3 | 169.6 | -31.5 | 44.3 | -26.5 | 0 | 0 | 0 | 116.5 | ||||
| 447 | I | 24.6 | Very low | 27 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | 38.4 | 116.5 | 140.8 | -55.2 | 162 | 0 | 0 | 0 | 121.7 | ||||
| 448 | S | 25.7 | Very low | 26.7 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | 179.2 | 121.6 | 105.8 | 64.9 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 449 | T | 25.6 | Very low | 26.5 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | 60.6 | 137.6 | 150.8 | 51.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 450 | S | 25.2 | Very low | 26.3 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | 77.2 | 147.3 | 168.7 | 81.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 451 | G | 25.8 | Very low | 26.3 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 108.5 | 137.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 452 | R | 24 | Very low | 26.3 | Very low | 200 Ų | 200 | 134.5 Ų | 134.5 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -49.7 | 146.5 | 178.9 | -55.9 | 165.1 | 172.7 | -171 | -3.4 | 114.7 | ||||
| 453 | R | 24.8 | Very low | 26.3 | Very low | 249 Ų | 249 | 137.1 Ų | 137.1 | 94% | 0.94 | 78% | 0.775 | S | S | * | * | -177.4 | 166.9 | 119.2 | -99 | 164.9 | -159.4 | -118.9 | 7.8 | 113.3 | |||||
| 454 | S | 23.9 | Very low | 26.1 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -90.8 | 147.5 | -172.2 | 50.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 455 | F | 25.1 | Very low | 25.9 | Very low | 213 Ų | 213 | 137 Ų | 137 | 93% | 0.934 | 77% | 0.766 | S | S | * | * | trans | -141.2 | 149.5 | 153.4 | -88.8 | -94.1 | 0 | 0 | 0 | 108.3 | ||||
| 456 | G | 25.8 | Very low | 25.7 | Very low | 57 Ų | 57 | 138.1 Ų | 138.1 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | cis | 135.2 | 71.7 | -10.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 457 | Q | 27.9 | Very low | 25.4 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -165.6 | 128.4 | 165.4 | -94.6 | 138.3 | 23.4 | 0 | 0 | 106.4 | ||||
| 458 | T | 25.1 | Very low | 25.5 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | cis | 89.4 | 132.2 | 20 | -43.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 459 | A | 27 | Very low | 25.5 | Very low | 89 Ų | 89 | 142.2 Ų | 142.2 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | 83.9 | 124.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 460 | R | 24.2 | Very low | 25.6 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | cis | 61.4 | 121.6 | 15.2 | -147.1 | 172.5 | -173.2 | 111 | -5.7 | 114.9 | ||||
| 461 | T | 25.7 | Very low | 25.6 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | 60.8 | 124.9 | -169.2 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 462 | L | 26 | Very low | 25.8 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | -147.8 | 139.8 | 50.4 | -79.6 | 161.2 | 0 | 0 | 0 | 113.2 | |||||
| 463 | L | 25.5 | Very low | 26 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | -82.3 | 147.6 | 147.3 | -99.5 | 165.2 | 0 | 0 | 0 | 108.2 | ||||
| 464 | T | 26.3 | Very low | 26.5 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | trans | 13.7 | 131.9 | 152.9 | 53.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 465 | D | 24.2 | Very low | 26.8 | Very low | 132 Ų | 132 | 126.6 Ų | 126.6 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | cis | -173.4 | 174.6 | 46.5 | -134.5 | -19.4 | 0 | 0 | 0 | 115.5 | ||||
| 466 | F | 24.7 | Very low | 27 | Very low | 150 Ų | 150 | 119.9 Ų | 119.9 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | trans | 75.2 | 107.9 | 151.6 | -84.2 | -148 | 0 | 0 | 0 | 123.8 | ||||
| 467 | L | 27.3 | Very low | 27.3 | Very low | 122 Ų | 122 | 122.6 Ų | 122.6 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | 76.7 | 117.8 | 123.9 | -59.7 | -178 | 0 | 0 | 0 | 123.6 | |||||
| 468 | R | 26.1 | Very low | 27.3 | Very low | 208 Ų | 208 | 119.8 Ų | 119.8 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | 87.7 | 97.3 | 124.4 | -76.6 | 179 | 179.5 | -172.2 | -1.3 | 122.8 | |||||
| 469 | T | 25.5 | Very low | 27.4 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 69% | 0.693 | 68% | 0.677 | S | S | * | * | 58.8 | 147.2 | 114.6 | 58.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 470 | N | 26.6 | Very low | 27.3 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 80% | 0.802 | 69% | 0.688 | S | S | * | * | trans | 81.6 | 138.6 | 166.6 | -56.2 | -3.5 | 0 | 0 | 0 | 114.9 | ||||
| 471 | S | 26.4 | Very low | 27.5 | Very low | 78 Ų | 78 | 124 Ų | 124 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | cis | -173.6 | 170.9 | -8.5 | -118.2 | 0 | 0 | 0 | 0 | 111.9 | E624 | S471-E624 WeakPolarHBondContact CB-OE2 3.41Å; S471-E624 PolarHBondContact OG-OE2 3.39Å | ||
| 472 | L | 29.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 57% | 0.571 | 70% | 0.699 | S | S | * | * | trans | 63.4 | 115.9 | 153.9 | -61.2 | 159.3 | 0 | 0 | 0 | 122.2 | E624 | L472-E624 WeakPolarHBondContact CD2-OE1 3.25Å; L472-E624 WeakPolarHBondContact CG-OE2 3.24Å; L472-E624 PolarHBondContact N-OE2 2.99Å | ||
| 473 | N | 29.1 | Very low | 27.6 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 45% | 0.449 | 69% | 0.69 | S | S | . | * | 84.9 | 158.7 | 127.5 | -78.6 | -83.7 | 0 | 0 | 0 | 122.8 | N625 P626 | N473-N625 HydrophobicContact CB-CB 4.47Å; N473-N625 WeakPolarHBondContact ND2-CB 3.38Å; N473-P626 WeakPolarHBondContact OD1-CD 3.43Å | |||
| 474 | P | 35 | Very low | 27.8 | Very low | 55 Ų | 55 | 122.4 Ų | 122.4 | 36% | 0.357 | 69% | 0.691 | S | S | . | * | trans | -150.7 | -160 | -136.4 | 51.3 | -33.8 | 0 | 0 | 0 | 117.4 | P626 L627 | P474-P626 WeakPolarHBondContact CB-O 3.45Å; P474-P626 WeakPolarHBondContact CG-O 3.44Å; P474-L627 HydrophobicContact CG-CB 3.66Å; P474-L627 HydrophobicContact CG-CD1 3.86Å; P474-L627 HydrophobicContact CG-CG 3.6Å | ||
| 475 | S | 29.2 | Very low | 27.8 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 61% | 0.608 | 69% | 0.685 | S | S | * | * | 173.7 | 154.2 | 121.6 | -72.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 476 | A | 29.5 | Very low | 27.9 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | trans | -97.8 | -172.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 477 | P | 32.7 | Very low | 28.1 | Very low | 114 Ų | 114 | 119.1 Ų | 119.1 | 74% | 0.74 | 69% | 0.687 | S | S | * | * | cis | -150 | -177.6 | 22.6 | 45.6 | -23.3 | 0 | 0 | 0 | 119.8 | ||||
| 478 | T | 27.6 | Very low | 28.1 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | 1 | 136.8 | 157.4 | 61.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 479 | S | 28.3 | Very low | 28.2 | Very low | 118 Ų | 118 | 116 Ų | 116 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | -177.6 | 143.9 | 121.7 | 40 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 480 | R | 23.8 | Very low | 28.4 | Very low | 257 Ų | 257 | 117.6 Ų | 117.6 | 97% | 0.97 | 68% | 0.681 | S | S | * | * | cis | 90.2 | 107.6 | 41 | -115.8 | -172.7 | -174.3 | -179.1 | 3.3 | 115 | ||||
| 481 | G | 29.7 | Very low | 28.4 | Very low | 72 Ų | 72 | 114.7 Ų | 114.7 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | trans | 148.1 | 96.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 482 | N | 24.7 | Very low | 28.5 | Very low | 161 Ų | 161 | 116.4 Ų | 116.4 | 86% | 0.861 | 68% | 0.68 | S | S | * | * | cis | 90.2 | 146.5 | 38.4 | -156 | 25.6 | 0 | 0 | 0 | 113.4 | ||||
| 483 | S | 28.8 | Very low | 28.2 | Very low | 99 Ų | 99 | 117.3 Ų | 117.3 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | trans | 70.4 | 151.2 | -164.6 | 84.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 484 | N | 29.4 | Very low | 28.2 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | cis | -167.4 | 168.9 | -11.3 | -111 | 9.9 | 0 | 0 | 0 | 107.7 | ||||
| 485 | S | 25.6 | Very low | 27.7 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 56% | 0.559 | 71% | 0.714 | S | S | * | * | cis | 175.6 | 162 | -25.4 | 55.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 486 | V | 27.5 | Very low | 27.4 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 78% | 0.782 | 72% | 0.723 | S | S | * | * | trans | 71 | 136.7 | 158.7 | 161.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 487 | N | 27.5 | Very low | 27.1 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | cis | -155.1 | 158.5 | 5.8 | -134 | -9.9 | 0 | 0 | 0 | 112.3 | ||||
| 488 | Q | 28.7 | Very low | 26.8 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | 57.1 | 136.4 | 154.8 | -60.9 | 164.2 | 39.7 | 0 | 0 | 117.9 | ||||
| 489 | N | 27.5 | Very low | 26.8 | Very low | 119 Ų | 119 | 133.1 Ų | 133.1 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | -165.7 | 169.7 | -3.7 | -104 | -16.5 | 0 | 0 | 0 | 106.9 | ||||
| 490 | H | 30.3 | Very low | 26.6 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 68% | 0.676 | 72% | 0.715 | S | S | * | * | cis | -151.4 | 160.9 | 4.5 | -125.5 | -49.9 | 0 | 0 | 0 | 110.6 | ||||
| 491 | S | 26.6 | Very low | 26.7 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | trans | 12.2 | 144.6 | 136.8 | -56.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 492 | T | 27.4 | Very low | 26.5 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | cis | -162.4 | 139.7 | -1.4 | 10.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 493 | N | 24.4 | Very low | 26.6 | Very low | 128 Ų | 128 | 132 Ų | 132 | 68% | 0.684 | 70% | 0.699 | S | S | * | * | trans | -5.9 | 142.2 | 133.7 | -61.7 | -34.6 | 0 | 0 | 0 | 118.8 | ||||
| 494 | H | 28.9 | Very low | 26.3 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | -174.5 | 126.3 | 105.6 | -90 | -70.7 | 0 | 0 | 0 | 108.3 | |||||
| 495 | L | 23.3 | Very low | 26.2 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 63% | 0.628 | 70% | 0.703 | S | S | * | * | 83.1 | 131.1 | 57.4 | -90.1 | 161.8 | 0 | 0 | 0 | 115.1 | |||||
| 496 | R | 23.9 | Very low | 26.1 | Very low | 215 Ų | 215 | 132.2 Ų | 132.2 | 81% | 0.811 | 71% | 0.711 | S | S | * | * | trans | 72.3 | 120.8 | 163.6 | -63 | 170.8 | -177.4 | 174.7 | -0.7 | 114.8 | ||||
| 497 | S | 22.9 | Very low | 26.1 | Very low | 90 Ų | 90 | 131.7 Ų | 131.7 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | 69.7 | 110.3 | 52.7 | 81.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 498 | H | 27.1 | Very low | 26 | Very low | 161 Ų | 161 | 136.3 Ų | 136.3 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | trans | 179.2 | 143.1 | 136.4 | -97.6 | -61.1 | 0 | 0 | 0 | 111.1 | ||||
| 499 | N | 26.2 | Very low | 25.9 | Very low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | trans | 54.3 | 120.4 | 140.2 | -54.3 | 5.7 | 0 | 0 | 0 | 118.5 | ||||
| 500 | N | 23.6 | Very low | 25.9 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | 74.2 | 156.6 | 66 | -72.4 | 2.9 | 0 | 0 | 0 | 113.9 | |||||
| 501 | D | 26.6 | Very low | 25.8 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 73.4 | 140.1 | 170.1 | -48.6 | -25.4 | 0 | 0 | 0 | 115.9 | ||||
| 502 | H | 26.3 | Very low | 26 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | cis | -172.6 | -171.6 | -27.7 | -119.9 | -52.8 | 0 | 0 | 0 | 108 | ||||
| 503 | L | 25.8 | Very low | 26 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | 72.7 | 84.5 | 150.1 | -109.7 | 65.1 | 0 | 0 | 0 | 121.3 | ||||
| 504 | S | 23.4 | Very low | 26 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -19.9 | 139.3 | 131.8 | 54.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 505 | T | 26.4 | Very low | 25.8 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 86% | 0.859 | 73% | 0.725 | S | S | * | * | trans | -167.2 | 132.5 | 136.4 | 22.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 506 | A | 24.8 | Very low | 26 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 72% | 0.719 | 73% | 0.733 | S | S | * | * | cis | 104.2 | 158.6 | 34.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 507 | V | 26.2 | Very low | 25.9 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | trans | 81.4 | 91.4 | 170 | -174.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 508 | R | 25.4 | Very low | 26.2 | Very low | 213 Ų | 213 | 135.8 Ų | 135.8 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | 92.6 | 153 | 102.7 | -79.9 | -172.9 | -164.8 | 157.4 | 1.7 | 114.6 | |||||
| 509 | D | 27.8 | Very low | 26.1 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 63% | 0.626 | 73% | 0.734 | S | S | * | * | cis | -154 | 163.1 | 10.3 | -114.5 | -21.5 | 0 | 0 | 0 | 113.8 | ||||
| 510 | N | 27.7 | Very low | 26.1 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | 53 | 110.5 | 154 | -57.8 | -30.4 | 0 | 0 | 0 | 120.3 | ||||
| 511 | R | 26.2 | Very low | 26.2 | Very low | 236 Ų | 236 | 133 Ų | 133 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | 48.3 | 153.9 | 51.8 | -108 | -167 | -176.2 | -164.5 | 3.1 | 114.3 | |||||
| 512 | P | 32 | Very low | 26.2 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 62% | 0.617 | 73% | 0.729 | S | S | * | * | cis | -147.4 | -178 | 6.7 | 35.9 | -11.5 | 0 | 0 | 0 | 118.9 | ||||
| 513 | T | 27.1 | Very low | 26.2 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | trans | 62.5 | 150.9 | 139.7 | 48.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 514 | S | 25.3 | Very low | 26.1 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | cis | 177.8 | 170.7 | -14.2 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 515 | I | 24.6 | Very low | 26.2 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 68% | 0.682 | 72% | 0.721 | S | S | * | * | trans | 93.3 | 118.2 | 137 | -91.6 | 165.1 | 0 | 0 | 0 | 121 | ||||
| 516 | Q | 25.7 | Very low | 26.2 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | trans | 59.9 | 162 | 142.3 | -67.5 | 172.4 | -10.9 | 0 | 0 | 121.5 | ||||
| 517 | C | 23.4 | Very low | 26.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | cis | 176 | 173.6 | -39.6 | -100.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 518 | S | 27.5 | Very low | 26.1 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | 70.9 | 159.5 | 170.8 | 79.2 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 519 | T | 26.6 | Very low | 26.1 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | -176.8 | 157.7 | -59.6 | 28.7 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 520 | N | 25 | Very low | 25.8 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | 68.4 | 156.9 | 162.9 | -66 | 27.6 | 0 | 0 | 0 | 116 | ||||
| 521 | D | 25.5 | Very low | 25.9 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | cis | -161.2 | 166.1 | -11.5 | -126.8 | -47.6 | 0 | 0 | 0 | 111.3 | ||||
| 522 | H | 28.3 | Very low | 25.8 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 65% | 0.653 | 74% | 0.736 | S | S | * | * | trans | 52.3 | 153.6 | 145 | -79.8 | 18.1 | 0 | 0 | 0 | 121.4 | ||||
| 523 | R | 26 | Very low | 25.5 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | cis | -177.8 | -176.9 | -16.8 | -150 | 171.3 | -172.1 | 166.2 | -4.3 | 106.2 | ||||
| 524 | I | 24.2 | Very low | 25.5 | Very low | 145 Ų | 145 | 141.1 Ų | 141.1 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | trans | 71.7 | 141.5 | 153.2 | -72.7 | 161.8 | 0 | 0 | 0 | 117.3 | ||||
| 525 | I | 25.1 | Very low | 25.4 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 65% | 0.646 | 75% | 0.749 | S | S | * | * | cis | -168.1 | 160 | -21.6 | -139.5 | 174.2 | 0 | 0 | 0 | 111.7 | ||||
| 526 | Q | 25.2 | Very low | 25.6 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | trans | 56.9 | 117.3 | 157.4 | -71.6 | 165.8 | -2.4 | 0 | 0 | 124.3 | ||||
| 527 | N | 23.9 | Very low | 25.6 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | 33.1 | 128.6 | 117.7 | -52.9 | -9.2 | 0 | 0 | 0 | 122.4 | |||||
| 528 | A | 25.5 | Very low | 25.8 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | -166.8 | 131.6 | 125.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 529 | R | 24.6 | Very low | 25.6 | Very low | 216 Ų | 216 | 142.6 Ų | 142.6 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | 46.2 | 117.4 | 140.3 | -67.1 | -171.1 | 169.1 | 121.1 | 1 | 123.3 | ||||
| 530 | E | 23.1 | Very low | 25.5 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | 47.6 | 121.7 | 114.9 | -57.5 | 161.9 | 150 | 0 | 0 | 120.5 | |||||
| 531 | L | 28.7 | Very low | 25.5 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 90% | 0.901 | 75% | 0.745 | S | S | * | * | -163.5 | 130 | 122.7 | -108.7 | 165.8 | 0 | 0 | 0 | 112.3 | |||||
| 532 | N | 24 | Very low | 25.3 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -80.9 | 155 | 167.2 | -93.8 | -44.1 | 0 | 0 | 0 | 110.6 | ||||
| 533 | I | 27.2 | Very low | 25.1 | Very low | 172 Ų | 172 | 148 Ų | 148 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | trans | -154.6 | 152.4 | 143.5 | -106.8 | 150.6 | 0 | 0 | 0 | 110.6 | ||||
| 534 | S | 25.2 | Very low | 25 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -93.1 | 157.2 | -154.4 | 53.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 535 | S | 24.9 | Very low | 25.1 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -30.2 | 153.9 | 154.5 | 56.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 536 | V | 28.4 | Very low | 25 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -116.7 | 140.5 | 153.3 | 177.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 537 | S | 26.4 | Very low | 24.8 | Very low | 92 Ų | 92 | 149.8 Ų | 149.8 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | -135.4 | 170.4 | -179.1 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 538 | Y | 25.9 | Very low | 24.7 | Very low | 210 Ų | 210 | 148.7 Ų | 148.7 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 162.2 | 150.7 | 151.4 | -103 | -137.2 | 0 | 0 | 0 | 110.3 | ||||
| 539 | N | 24.3 | Very low | 24.6 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 49% | 0.492 | 78% | 0.784 | S | S | . | * | cis | -169.9 | 153 | -26.5 | -134.2 | -31 | 0 | 0 | 0 | 111.3 | ||||
| 540 | Q | 24.9 | Very low | 24.5 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 63 | 155.2 | 156.8 | -65.5 | 150.2 | 21.3 | 0 | 0 | 117.6 | ||||
| 541 | C | 23.4 | Very low | 24.7 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | cis | -113.6 | 146.6 | 1 | -83.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 542 | R | 22.6 | Very low | 24.5 | Very low | 203 Ų | 203 | 140.2 Ų | 140.2 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | 86.3 | 112.5 | 52 | -99.4 | -173.3 | 174.8 | 177.2 | -0.9 | 115.6 | |||||
| 543 | N | 22.8 | Very low | 24.8 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 63.2 | 113 | 144.5 | -58.7 | 6 | 0 | 0 | 0 | 121.2 | ||||
| 544 | S | 25.2 | Very low | 24.7 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | -156.2 | 150.7 | 112.5 | 46.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 545 | Q | 24.8 | Very low | 24.8 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -128.1 | 136.7 | 179.2 | -56.4 | 168.2 | -49.4 | 0 | 0 | 109 | ||||
| 546 | S | 23.3 | Very low | 24.8 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | 177 | 158 | 150.9 | 40.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 547 | R | 21.2 | Very low | 24.6 | Very low | 223 Ų | 223 | 145.2 Ų | 145.2 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | cis | -163.8 | 134.3 | -33.1 | -111.8 | -177.4 | -174.9 | 177.4 | 0.7 | 108.7 | ||||
| 548 | I | 21.6 | Very low | 24.6 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | 35.5 | 117.6 | 135.4 | -49.2 | 166.1 | 0 | 0 | 0 | 118.7 | I550 | I548-I550 HydrophobicContact CG2-CD1 4.23Å; I548-I550 HydrophobicContact CG2-CG1 4.34Å | ||
| 549 | A | 23.3 | Very low | 24.6 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | -147.6 | 108.2 | 141.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 550 | I | 23.2 | Very low | 24.8 | Very low | 122 Ų | 122 | 145.4 Ų | 145.4 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | trans | -91.2 | 143.7 | -178.7 | -64 | 156.3 | 0 | 0 | 0 | 109.7 | I548 | I548-I550 HydrophobicContact CG2-CD1 4.23Å; I548-I550 HydrophobicContact CG2-CG1 4.34Å | ||
| 551 | T | 26.6 | Very low | 24.9 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | 167.9 | 162 | 133.8 | 34.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 552 | N | 25.7 | Very low | 25.1 | Very low | 107 Ų | 107 | 148.7 Ų | 148.7 | 57% | 0.572 | 77% | 0.774 | S | S | * | * | -177.8 | 158.5 | -54 | -109.7 | -13.9 | 0 | 0 | 0 | 108.3 | |||||
| 553 | H | 29 | Very low | 25.4 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | trans | 73.5 | 134.2 | 168.9 | -40 | -63.3 | 0 | 0 | 0 | 117.3 | ||||
| 554 | G | 27 | Very low | 25.7 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | cis | 162.5 | 167.5 | -14.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 555 | R | 26.3 | Very low | 25.8 | Very low | 244 Ų | 244 | 142.3 Ų | 142.3 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | 77.5 | 118.1 | 173.7 | -58.6 | 179.9 | 175.1 | 167.2 | -0.7 | 115.4 | ||||
| 556 | V | 24.8 | Very low | 26.1 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 74% | 0.739 | 75% | 0.753 | S | S | * | * | cis | 84 | 115.5 | 31.6 | -178.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 557 | L | 24.6 | Very low | 26.3 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | -154.1 | 154.5 | 119.9 | -104.7 | 170.9 | 0 | 0 | 0 | 111.2 | |||||
| 558 | T | 26.5 | Very low | 26.5 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | trans | -124.1 | 173.2 | -168.9 | 45.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 559 | L | 24.7 | Very low | 26.8 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | 172.7 | 120.1 | 118.5 | -88.2 | 164.8 | 0 | 0 | 0 | 114.8 | |||||
| 560 | H | 28.3 | Very low | 27 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | trans | 36.6 | 119.7 | 136.7 | -65.1 | -33.2 | 0 | 0 | 0 | 122.4 | ||||
| 561 | T | 27.8 | Very low | 27.1 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | 86.2 | 133.6 | 51.3 | 60.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 562 | R | 27.7 | Very low | 27.1 | Very low | 218 Ų | 218 | 134 Ų | 134 | 82% | 0.823 | 73% | 0.734 | S | S | * | * | 171 | 126.7 | 122.5 | -92.1 | -168 | 120.5 | 123.8 | 12.4 | 118.5 | |||||
| 563 | D | 28.2 | Very low | 27.2 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | 53 | 118.7 | 124.7 | -45.9 | -9.7 | 0 | 0 | 0 | 126.1 | |||||
| 564 | G | 29.7 | Very low | 26.8 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | 113.8 | 161.7 | 127.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 565 | L | 28.4 | Very low | 26.6 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | cis | -170.1 | 134.6 | -10 | -109.8 | 162.6 | 0 | 0 | 0 | 114 | ||||
| 566 | H | 30.2 | Very low | 26.5 | Very low | 152 Ų | 152 | 136 Ų | 136 | 70% | 0.704 | 74% | 0.744 | S | S | * | * | trans | 62.7 | 119.1 | 144.8 | -81.7 | -22.4 | 0 | 0 | 0 | 127.9 | ||||
| 567 | N | 26.8 | Very low | 26.4 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | 95.1 | 117.6 | 111.7 | -69.9 | 0.6 | 0 | 0 | 0 | 126.9 | |||||
| 568 | N | 27.2 | Very low | 26.4 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | 89.4 | 130.3 | 119 | -68.8 | -8.3 | 0 | 0 | 0 | 125.7 | |||||
| 569 | S | 27.2 | Very low | 26.3 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | trans | 71.6 | 151.6 | 138.4 | 62.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 570 | S | 27 | Very low | 26.3 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | cis | -170.7 | 164.9 | -26 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 571 | S | 26.1 | Very low | 26.1 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | 86.5 | 140.3 | 153.8 | 81.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 572 | N | 25 | Very low | 26.1 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | 82.2 | 147 | 145.4 | -66 | -18.8 | 0 | 0 | 0 | 122.9 | ||||
| 573 | Q | 28.2 | Very low | 26.1 | Very low | 183 Ų | 183 | 123.6 Ų | 123.6 | 86% | 0.855 | 72% | 0.716 | S | S | * | * | trans | 85.4 | 136.8 | 161 | -74.4 | 164.7 | -3.6 | 0 | 0 | 119.6 | ||||
| 574 | D | 21.6 | Very low | 25.8 | Very low | 149 Ų | 149 | 124.7 Ų | 124.7 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -80.3 | -167.8 | -178.4 | -47.5 | -98.7 | 0 | 0 | 0 | 112.2 | ||||
| 575 | L | 23.2 | Very low | 25.6 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 81% | 0.812 | 73% | 0.725 | S | S | * | * | trans | 83.6 | 120.4 | -176.7 | -50.7 | 158.8 | 0 | 0 | 0 | 111.4 | ||||
| 576 | I | 22.8 | Very low | 25.4 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 80% | 0.795 | 72% | 0.721 | S | S | * | * | 75.8 | 137.1 | 63.6 | -65.9 | 176.1 | 0 | 0 | 0 | 111.8 | |||||
| 577 | C | 22.2 | Very low | 25.1 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | trans | 75.6 | 151.6 | -173.3 | -142.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 578 | G | 26.6 | Very low | 25 | Very low | 60 Ų | 60 | 131.6 Ų | 131.6 | 62% | 0.619 | 73% | 0.729 | S | S | * | * | cis | -134.1 | 174.6 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 579 | Y | 24.1 | Very low | 25 | Very low | 100 Ų | 100 | 132 Ų | 132 | 39% | 0.392 | 73% | 0.727 | S | S | . | * | cis | 64 | 145.2 | 24.2 | -78.8 | -83 | 0 | 0 | 0 | 116.2 | E759 E760 | Y579-E759 HydrophobicContact CE1-CB 3.84Å; Y579-E759 WeakPolarHBondContact CE2-OE2 3.39Å; Y579-E759 WeakPolarHBondContact OH-CB 3.35Å; Y579-E759 VanDerWaalsContact OH-CD 3.28Å; Y579-E759 VanDerWaalsContact OH-CG 3.27Å; Y579-E759 WeakPolarHBondContact OH-CG 3.42Å; Y579-E759 PolarHBondContact OH-OE2 3.04Å; Y579-E760 HydrophobicContact CD1-CG 3.52Å; Y579-E760 HydrophobicContact CE1-CB 4.41Å; Y579-E760 HydrophobicContact CE1-CG 3.28Å | ||
| 580 | T | 23.5 | Very low | 25 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 56% | 0.564 | 72% | 0.716 | S | S | * | * | trans | 69.1 | 120.1 | 152.8 | 50.1 | 0 | 0 | 0 | 0 | 120.4 | E760 | T580-E760 PolarHBondContact N-OE1 3.27Š| ||
| 581 | T | 23.8 | Very low | 25.1 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | 69.2 | 138.8 | 130.3 | 61.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 582 | L | 29.3 | Very low | 25.2 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | trans | -55.6 | 141.2 | 148.7 | -69.2 | 160.2 | 0 | 0 | 0 | 110.3 | ||||
| 583 | P | 26.4 | Very low | 25.4 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | -132.8 | 150.1 | 111.5 | 41.4 | -33.1 | 0 | 0 | 0 | 110.3 | |||||
| 584 | D | 22.8 | Very low | 25.3 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | 43.2 | 116.2 | 74.6 | -68.9 | -34.3 | 0 | 0 | 0 | 111.1 | |||||
| 585 | E | 24.6 | Very low | 25.7 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | -163.4 | 150.3 | 62.5 | -90.2 | -159.8 | 121.3 | 0 | 0 | 113.2 | |||||
| 586 | V | 24.7 | Very low | 25.8 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 70% | 0.697 | 70% | 0.704 | S | S | * | * | trans | 47.6 | 118.5 | 130.5 | -161.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 587 | I | 24.5 | Very low | 25.7 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | -169.5 | 129.1 | 84.5 | -82.4 | 175.9 | 0 | 0 | 0 | 109.8 | |||||
| 588 | R | 25 | Very low | 25.9 | Very low | 213 Ų | 213 | 126.3 Ų | 126.3 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | 65.2 | 146.2 | 159.5 | -67.6 | 170.2 | 179 | 144.5 | 5 | 118.4 | ||||
| 589 | E | 26.5 | Very low | 25.7 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 65% | 0.645 | 72% | 0.715 | S | S | * | * | cis | -152.1 | 157.2 | -2 | -131.4 | 166.9 | -113.6 | 0 | 0 | 114.5 | ||||
| 590 | N | 27.7 | Very low | 25.8 | Very low | 106 Ų | 106 | 136 Ų | 136 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | trans | 63 | 96.5 | 155 | -60.3 | -40.7 | 0 | 0 | 0 | 120.1 | ||||
| 591 | N | 27.7 | Very low | 26.1 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | 73.4 | 140 | 115.4 | -57.7 | -25.1 | 0 | 0 | 0 | 119.8 | |||||
| 592 | S | 29.1 | Very low | 26.2 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | cis | -171.1 | 146.5 | -10.6 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 593 | T | 29.4 | Very low | 26.2 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | 46.8 | 126.1 | 148.4 | 57.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 594 | G | 26 | Very low | 26.3 | Very low | 69 Ų | 69 | 142.3 Ų | 142.3 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | trans | -70.1 | -151 | 155.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 595 | P | 29 | Very low | 26.6 | Very low | 111 Ų | 111 | 144 Ų | 144 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | cis | -138.3 | -150 | 17.1 | 37.7 | -14.5 | 0 | 0 | 0 | 112.7 | ||||
| 596 | Q | 25.9 | Very low | 26.9 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | trans | 67.2 | 102.3 | 158.6 | -71.7 | 172.5 | 18.4 | 0 | 0 | 117.3 | ||||
| 597 | T | 21.7 | Very low | 27 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | 60.1 | 106.5 | 84.1 | 65.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 598 | I | 25.8 | Very low | 27.4 | Very low | 158 Ų | 158 | 137 Ų | 137 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | trans | -167 | 107 | 137 | -96.8 | 146.3 | 0 | 0 | 0 | 105 | ||||
| 599 | R | 23.2 | Very low | 27.5 | Very low | 227 Ų | 227 | 137.3 Ų | 137.3 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | 58 | 113.6 | 90 | -147.2 | 177.5 | -160.7 | 158.3 | 3.9 | 110.9 | |||||
| 600 | I | 26.1 | Very low | 27.4 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | -170 | 131.7 | 105.9 | -97.9 | 158.9 | 0 | 0 | 0 | 111.6 | |||||
| 601 | Q | 29.1 | Very low | 27.4 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | trans | 61.3 | 110.3 | 154 | -65.2 | 173.2 | 11.3 | 0 | 0 | 119 | ||||
| 602 | R | 25.6 | Very low | 27.3 | Very low | 201 Ų | 201 | 138 Ų | 138 | 76% | 0.758 | 75% | 0.748 | S | S | * | * | 85.4 | 135.2 | 83.5 | -80.9 | 176.3 | 179.1 | 178.5 | -3 | 112.4 | |||||
| 603 | H | 30.2 | Very low | 27.1 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | cis | -152.8 | 158.8 | 7.2 | -101 | -66.7 | 0 | 0 | 0 | 110.4 | ||||
| 604 | T | 27.6 | Very low | 26.9 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 64% | 0.644 | 76% | 0.759 | S | S | * | * | trans | 51.1 | 132.8 | 151.3 | 55.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 605 | E | 29.6 | Very low | 27 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 86% | 0.855 | 75% | 0.751 | S | S | * | * | cis | -157.8 | -175.5 | 6.8 | -125.2 | 152.4 | -138.3 | 0 | 0 | 111.7 | ||||
| 606 | A | 29.7 | Very low | 26.8 | Very low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -69.9 | 167.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 607 | G | 28.4 | Very low | 26.9 | Very low | 69 Ų | 69 | 143.1 Ų | 143.1 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | cis | 85.5 | 159.7 | 17.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 608 | P | 33.1 | Very low | 27.3 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -140 | -156.5 | -11.1 | 41.3 | -20.1 | 0 | 0 | 0 | 112.9 | ||||
| 609 | R | 26.3 | Very low | 27.3 | Very low | 221 Ų | 221 | 146.6 Ų | 146.6 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | 59.9 | 115.7 | 147.7 | -77.2 | 174.4 | -166.3 | 160.1 | 1.4 | 119.5 | ||||
| 610 | S | 24.4 | Very low | 27.4 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | 87.3 | 177.1 | 72.9 | 78.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 611 | V | 26.6 | Very low | 27.3 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 68.3 | 130.8 | -178.6 | -132.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 612 | H | 26.2 | Very low | 27.3 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | 56.1 | 136.9 | 56.3 | -108.3 | 76.4 | 0 | 0 | 0 | 113.6 | |||||
| 613 | S | 24.5 | Very low | 27.4 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 65.9 | 101.5 | 177.9 | -160.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 614 | A | 26.6 | Very low | 27.4 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | -154.8 | 18.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 615 | Y | 27.1 | Very low | 27.5 | Very low | 139 Ų | 139 | 132 Ų | 132 | 55% | 0.545 | 73% | 0.732 | S | S | . | * | S | Bend | trans | -89.2 | 135.4 | 160.6 | -134.4 | -105 | 0 | 0 | 0 | 106.5 | Q700 | Y615-Q700 PolarHBondContact OH-NE2 2.93Š|
| 616 | N | 25.5 | Very low | 27.9 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 67% | 0.674 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 66.3 | 72.1 | -170.5 | -54.9 | -25.8 | 0 | 0 | 0 | 116.5 | ||
| 617 | Q | 28.6 | Very low | 27.9 | Very low | 188 Ų | 188 | 125.9 Ų | 125.9 | 88% | 0.879 | 70% | 0.696 | S | S | * | * | trans | -162.9 | 55 | 145.6 | -120.2 | 166.5 | 84.3 | 0 | 0 | 116.2 | ||||
| 618 | L | 29.1 | Very low | 28 | Very low | 178 Ų | 178 | 128 Ų | 128 | 93% | 0.932 | 69% | 0.691 | S | S | * | * | trans | -140.3 | 76 | 155 | -92.8 | -175.5 | 0 | 0 | 0 | 110.3 | ||||
| 619 | Q | 26.8 | Very low | 27.8 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -107.2 | 114.3 | 171.6 | -164.9 | -176.2 | 17.9 | 0 | 0 | 107.9 | ||||
| 620 | T | 24.8 | Very low | 28.1 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 76% | 0.761 | 69% | 0.688 | S | S | * | * | trans | 62.7 | 161 | 175.8 | 69 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 621 | V | 23.9 | Very low | 28.6 | Very low | 107 Ų | 107 | 125 Ų | 125 | 65% | 0.648 | 69% | 0.689 | S | S | * | * | cis | -133.8 | -175.3 | 17.1 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | A623 | V621-A623 HydrophobicContact CG1-CB 4.37Š| ||
| 622 | F | 27.9 | Very low | 28.9 | Very low | 196 Ų | 196 | 127.6 Ų | 127.6 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | trans | 87.2 | 83.1 | 179 | -51.4 | -66.2 | 0 | 0 | 0 | 114.5 | ||||
| 623 | A | 28.5 | Very low | 29.1 | Very low | 79 Ų | 79 | 124.5 Ų | 124.5 | 65% | 0.653 | 69% | 0.687 | S | S | * | * | cis | 60.4 | 110.1 | 17.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V621 | V621-A623 HydrophobicContact CG1-CB 4.37Š| ||
| 624 | E | 29.7 | Very low | 29.6 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 45% | 0.449 | 69% | 0.686 | S | S | . | * | trans | -179.3 | 134.7 | 148.2 | -87 | -141.5 | 132.2 | 0 | 0 | 109 | S471 L472 | S471-E624 WeakPolarHBondContact CB-OE2 3.41Å; S471-E624 PolarHBondContact OG-OE2 3.39Å; L472-E624 WeakPolarHBondContact CD2-OE1 3.25Å; L472-E624 WeakPolarHBondContact CG-OE2 3.24Å; L472-E624 PolarHBondContact N-OE2 2.99Å | ||
| 625 | N | 31 | Very low | 30 | Very low | 74 Ų | 74 | 125.1 Ų | 125.1 | 40% | 0.396 | 68% | 0.679 | S | S | . | * | cis | -158.1 | -176 | -10.6 | -130.3 | -17.7 | 0 | 0 | 0 | 111 | N473 | N473-N625 HydrophobicContact CB-CB 4.47Å; N473-N625 WeakPolarHBondContact ND2-CB 3.38Å | ||
| 626 | P | 36.3 | Very low | 30.3 | Very low | 73 Ų | 73 | 124 Ų | 124 | 47% | 0.474 | 69% | 0.687 | S | S | . | * | -127.6 | -94.9 | -119.2 | 41.5 | -22.7 | 0 | 0 | 0 | 119.1 | N473 P474 | N473-P626 WeakPolarHBondContact OD1-CD 3.43Å; P474-P626 WeakPolarHBondContact CB-O 3.45Å; P474-P626 WeakPolarHBondContact CG-O 3.44Å | |||
| 627 | L | 31.1 | Very low | 30.6 | Very low | 76 Ų | 76 | 124.6 Ų | 124.6 | 40% | 0.398 | 69% | 0.69 | S | S | . | * | trans | 54.6 | 126 | 179 | -54.7 | -177.6 | 0 | 0 | 0 | 118.6 | P474 | P474-L627 HydrophobicContact CG-CB 3.66Å; P474-L627 HydrophobicContact CG-CD1 3.86Å; P474-L627 HydrophobicContact CG-CG 3.6Å | ||
| 628 | D | 28.8 | Very low | 30.8 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 62% | 0.615 | 69% | 0.686 | S | S | * | * | cis | -159.7 | 159.3 | 4.9 | -153.1 | 7.9 | 0 | 0 | 0 | 114.7 | ||||
| 629 | M | 30.5 | Very low | 30.8 | Very low | 147 Ų | 147 | 118.2 Ų | 118.2 | 72% | 0.724 | 67% | 0.67 | S | S | * | * | trans | 57.1 | 148.9 | 163.8 | -64.8 | -58.7 | 151.3 | 0 | 0 | 119.9 | ||||
| 630 | S | 33.1 | Very low | 30.9 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | cis | -156.6 | 164.9 | -4 | -126.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 631 | P | 34.9 | Very low | 30.9 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 69% | 0.688 | 67% | 0.674 | S | S | * | * | trans | -116.8 | 173.9 | -167 | 42.9 | -34.4 | 0 | 0 | 0 | 116 | ||||
| 632 | Q | 32.6 | Very low | 31.3 | Very low | 182 Ų | 182 | 120.6 Ų | 120.6 | 85% | 0.85 | 67% | 0.674 | S | S | * | * | trans | 168.3 | 151.1 | 148.2 | -98.1 | 162.9 | 48.8 | 0 | 0 | 111.9 | ||||
| 633 | T | 30.7 | Very low | 31.2 | Very low | 117 Ų | 117 | 118.8 Ų | 118.8 | 72% | 0.718 | 67% | 0.674 | S | S | * | * | cis | -166.1 | 166.9 | -22.7 | 13.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 634 | P | 33.7 | Very low | 31 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | -123.5 | -105.7 | -127.7 | 25.2 | 2.7 | 0 | 0 | 0 | 119 | |||||
| 635 | P | 36 | Very low | 30.8 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -129.5 | -169 | -136.3 | 43.1 | -23.1 | 0 | 0 | 0 | 114.8 | ||||
| 636 | T | 32.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | -174.1 | 137.2 | 145 | 39.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 637 | D | 32.1 | Very low | 30.2 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 53 | 149.6 | 128.4 | -41 | -19.4 | 0 | 0 | 0 | 120.6 | |||||
| 638 | D | 32.5 | Very low | 29.9 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | cis | -154.1 | -174.8 | 3.1 | -137.8 | -25.2 | 0 | 0 | 0 | 114.7 | ||||
| 639 | S | 28.8 | Very low | 29.8 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | trans | -74.6 | 169.4 | -166.8 | 62.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 640 | E | 30.1 | Very low | 29.6 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 89 | 94.9 | 142.6 | -83 | 175.5 | -166.9 | 0 | 0 | 124 | ||||
| 641 | Q | 25.3 | Very low | 29.3 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | 59.3 | -164.6 | 136.5 | -48.7 | -162.6 | -29 | 0 | 0 | 118.6 | ||||
| 642 | P | 30.8 | Very low | 29.1 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | -129.7 | 151.1 | -110.4 | 37.9 | -18.3 | 0 | 0 | 0 | 115.8 | |||||
| 643 | N | 26 | Very low | 29 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -169.7 | 174.5 | 144.7 | -108.9 | -47.5 | 0 | 0 | 0 | 113.6 | ||||
| 644 | M | 23.7 | Very low | 29.1 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 83% | 0.833 | 76% | 0.757 | S | S | * | * | trans | -62.4 | 131.9 | 166.6 | -64.1 | 172 | -76.6 | 0 | 0 | 111.2 | ||||
| 645 | E | 26.3 | Very low | 29.3 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -159.7 | 152.2 | 136.5 | -116.8 | 165.3 | -143.6 | 0 | 0 | 110.2 | P647 | E645-P647 WeakPolarHBondContact O-CD 3.16Š| ||
| 646 | I | 25.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | -86.4 | 114.9 | -179.6 | -63.3 | 167.6 | 0 | 0 | 0 | 107.7 | N648 | I646-N648 PolarHBondContact O-N 2.88Å; I646-N648 VanDerWaalsContact O-N 3.14Å | ||
| 647 | P | 28.3 | Very low | 31.4 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | trans | -70 | 114.1 | 175.4 | -15.3 | 31.3 | 0 | 0 | 0 | 109 | E645 C649 | E645-P647 WeakPolarHBondContact O-CD 3.16Å; P647-C649 PolarHBondContact O-N 3.36Å; P647-C649 VanDerWaalsContact O-N 3.15Å | ||
| 648 | N | 25 | Very low | 33.3 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | -60.5 | 116.6 | 171.8 | -82.2 | -50.5 | 0 | 0 | 0 | 109.6 | I646 S650 | I646-N648 PolarHBondContact O-N 2.88Å; I646-N648 VanDerWaalsContact O-N 3.14Å; N648-S650 PolarHBondContact O-N 3.36Å | ||
| 649 | C | 26.9 | Very low | 35.5 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -74.9 | 52.3 | 166.9 | -82.8 | 0 | 0 | 0 | 0 | 111.8 | P647 | P647-C649 PolarHBondContact O-N 3.36Å; P647-C649 VanDerWaalsContact O-N 3.15Å |
| 650 | S | 26.8 | Very low | 38 | Very low | 73 Ų | 73 | 129.1 Ų | 129.1 | 51% | 0.51 | 70% | 0.704 | S | S | . | * | trans | -124.8 | 125 | 164.8 | 48.6 | 0 | 0 | 0 | 0 | 108.3 | N648 | N648-S650 PolarHBondContact O-N 3.36Š| ||
| 651 | H | 26 | Very low | 40.6 | Very low | 180 Ų | 180 | 124 Ų | 124 | 83% | 0.833 | 68% | 0.683 | S | S | * | * | trans | 82.8 | 61.3 | -174.6 | -49.7 | -71.6 | 0 | 0 | 0 | 118.5 | ||||
| 652 | A | 31.6 | Very low | 43.6 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 81% | 0.81 | 64% | 0.642 | S | S | * | * | trans | -140.5 | 90.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 653 | Q | 30.4 | Very low | 46.3 | Very low | 182 Ų | 182 | 111.4 Ų | 111.4 | 85% | 0.85 | 62% | 0.615 | S | S | * | * | 51.9 | 118.9 | 81.8 | -63.6 | -164.9 | -4.5 | 0 | 0 | 114.8 | |||||
| 654 | A | 33.1 | Very low | 49.1 | Very low | 75 Ų | 75 | 107.4 Ų | 107.4 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | trans | 70.7 | 54.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | S656 | A654-S656 PolarHBondContact O-N 3.36Å; A654-S656 PolarHBondContact O-OG 3.45Å | ||
| 655 | H | 37.8 | Very low | 52.3 | Low | 200 Ų | 200 | 99.3 Ų | 99.3 | 93% | 0.926 | 55% | 0.552 | S | S | * | * | S | Bend | 55.3 | -3.5 | 125.4 | -69.3 | -67.5 | 0 | 0 | 0 | 124.2 | |||
| 656 | S | 49.2 | Very low | 55.3 | Low | 83 Ų | 83 | 90.4 Ų | 90.4 | 58% | 0.58 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -106.8 | -41.8 | -177 | 50.1 | 0 | 0 | 0 | 0 | 116.3 | A654 N658 | A654-S656 PolarHBondContact O-N 3.36Å; A654-S656 PolarHBondContact O-OG 3.45Å; S656-N658 PolarHBondContact O-N 3.4Å |
| 657 | N | 62.3 | Low | 58.3 | Low | 102 Ų | 102 | 85.2 Ų | 85.2 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -6.2 | -157 | -62.2 | 17.9 | 0 | 0 | 0 | 115.6 | S659 E660 D661 | N657-S659 VanDerWaalsContact C-N 3.28Å; N657-S659 PolarHBondContact O-N 3.29Å; N657-S659 VanDerWaalsContact O-N 3.17Å; N657-E660 PolarHBondContact O-N 3.08Å; N657-D661 PolarHBondContact O-N 2.85Å; N657-D661 VanDerWaalsContact O-N 3.17Å |
| 658 | N | 71.8 | Confident | 61.2 | Low | 81 Ų | 81 | 83.8 Ų | 83.8 | 43% | 0.433 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.2 | -28.5 | -170.9 | -66.3 | 14.5 | 0 | 0 | 0 | 114.6 | S656 L662 N682 | S656-N658 PolarHBondContact O-N 3.4Å; N658-L662 WeakPolarHBondContact O-CB 3.25Å; N658-L662 PolarHBondContact O-N 2.97Å; N658-N682 PolarHBondContact ND2-O 3.03Å |
| 659 | S | 78.6 | Confident | 64.2 | Low | 30 Ų | 30 | 78.3 Ų | 78.3 | 21% | 0.21 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -77.8 | -40.5 | 177.9 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | N657 L662 I663 I688 | N657-S659 VanDerWaalsContact C-N 3.28Å; N657-S659 PolarHBondContact O-N 3.29Å; N657-S659 VanDerWaalsContact O-N 3.17Å; S659-L662 PolarHBondContact O-N 2.73Å; S659-I663 WeakPolarHBondContact O-CB 3.5Å; S659-I663 WeakPolarHBondContact O-CD1 3.16Å; S659-I663 VanDerWaalsContact O-CG1 3.22Å; S659-I663 WeakPolarHBondContact O-CG1 3.34Å; S659-I663 PolarHBondContact O-N 2.93Å; S659-I688 PolarHBondContact OG-O 3.46Å; S659-I688 VanDerWaalsContact OG-O 3.12Å |
| 660 | E | 82.8 | Confident | 67.1 | Low | 111 Ų | 111 | 75.6 Ų | 75.6 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 178.5 | -173.9 | 167.9 | -154.9 | 0 | 0 | 111.3 | N657 L662 I663 Q664 | N657-E660 PolarHBondContact O-N 3.08Å; E660-L662 VanDerWaalsContact C-N 3.32Å; E660-L662 PolarHBondContact O-N 3.4Å; E660-I663 PolarHBondContact O-N 3.24Å; E660-Q664 VanDerWaalsContact O-CB 3.32Å; E660-Q664 WeakPolarHBondContact O-CB 3.46Å; E660-Q664 PolarHBondContact O-N 3.41Å |
| 661 | D | 84.3 | Confident | 69.9 | Low | 66 Ų | 66 | 73.5 Ų | 73.5 | 35% | 0.353 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 178.7 | -144.8 | 66.9 | 0 | 0 | 0 | 112.6 | N657 A665 R673 | N657-D661 PolarHBondContact O-N 2.85Å; N657-D661 VanDerWaalsContact O-N 3.17Å; D661-A665 VanDerWaalsContact O-CB 3.31Å; D661-A665 WeakPolarHBondContact O-CB 3.41Å; D661-A665 PolarHBondContact O-N 3.47Å; D661-R673 IonicContact OD1-CZ 3.78Å; D661-R673 IonicContact OD1-NH2 3.74Å; D661-R673 PolarHBondContact OD1-NH2 3.15Å; D661-R673 IonicContact OD2-CZ 2.76Å; D661-R673 IonicContact OD2-NE 3.04Å; D661-R673 PolarHBondContact OD2-NE 3.1Å; D661-R673 IonicContact OD2-NH2 3.86Å; D661-R673 PolarHBondContact OD2-NH2 3.49Å |
| 662 | L | 87.8 | Confident | 72.6 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.1 | -41.8 | 172.7 | -175.7 | 71.4 | 0 | 0 | 0 | 112.3 | N658 S659 E660 A665 A666 L674 L677 L678 V683 A694 | N658-L662 WeakPolarHBondContact O-CB 3.25Å; N658-L662 PolarHBondContact O-N 2.97Å; S659-L662 PolarHBondContact O-N 2.73Å; E660-L662 VanDerWaalsContact C-N 3.32Å; E660-L662 PolarHBondContact O-N 3.4Å; L662-A665 PolarHBondContact O-N 3.18Å; L662-A666 WeakPolarHBondContact O-CB 3.29Å; L662-A666 PolarHBondContact O-N 3.5Å; L662-L674 HydrophobicContact CD1-CD1 4.29Å; L662-L674 HydrophobicContact CD1-CG 4.22Å; L662-L677 HydrophobicContact CD1-CB 4.04Å; L662-L677 HydrophobicContact CD1-CD1 4.32Å; L662-L678 HydrophobicContact CD1-CD2 3.94Å; L662-L678 HydrophobicContact CD1-CG 4.04Å; L662-L678 HydrophobicContact CD2-CD2 4.28Å; L662-V683 HydrophobicContact CD1-CG1 4.34Å; L662-V683 HydrophobicContact CD2-CG1 3.95Å; L662-A694 HydrophobicContact CD2-CB 4Å; L662-A694 HydrophobicContact CG-CB 3.89Å |
| 663 | I | 86.9 | Confident | 75.2 | Confident | 17 Ų | 17 | 72 Ų | 72 | 9% | 0.087 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 175.9 | -73.6 | 160.9 | 0 | 0 | 0 | 110.3 | S659 E660 A666 N667 L692 A694 A697 | S659-I663 WeakPolarHBondContact O-CB 3.5Å; S659-I663 WeakPolarHBondContact O-CD1 3.16Å; S659-I663 VanDerWaalsContact O-CG1 3.22Å; S659-I663 WeakPolarHBondContact O-CG1 3.34Å; S659-I663 PolarHBondContact O-N 2.93Å; E660-I663 PolarHBondContact O-N 3.24Å; I663-A666 WeakPolarHBondContact O-CB 2.87Å; I663-A666 PolarHBondContact O-N 3.41Å; I663-N667 WeakPolarHBondContact O-CB 3.28Å; I663-N667 PolarHBondContact O-N 2.7Å; I663-L692 VanDerWaalsContact CD1-O 3.25Å; I663-L692 WeakPolarHBondContact CD1-O 3.42Å; I663-L692 HydrophobicContact CG2-CD2 4.38Å; I663-A694 HydrophobicContact CG1-CB 4.15Å; I663-A697 HydrophobicContact CG2-CB 4.2Å |
| 664 | Q | 86.6 | Confident | 77.8 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 35% | 0.346 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 176.8 | 179.6 | 57.6 | 16.9 | 0 | 0 | 111.4 | E660 A666 N667 E668 | E660-Q664 VanDerWaalsContact O-CB 3.32Å; E660-Q664 WeakPolarHBondContact O-CB 3.46Å; E660-Q664 PolarHBondContact O-N 3.41Å; Q664-A666 VanDerWaalsContact C-N 3.26Å; Q664-A666 PolarHBondContact O-N 2.84Å; Q664-N667 PolarHBondContact O-N 3.47Å; Q664-E668 HydrophobicContact CG-CG 4.46Å; Q664-E668 WeakPolarHBondContact CG-OE1 3.31Å; Q664-E668 PolarHBondContact NE2-OE1 3.16Å; Q664-E668 WeakPolarHBondContact O-CB 3.24Å; Q664-E668 VanDerWaalsContact O-CG 3.24Å; Q664-E668 WeakPolarHBondContact O-CG 3.35Å; Q664-E668 PolarHBondContact O-N 2.94Å |
| 665 | A | 89.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -34 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D661 L662 G669 N670 R673 L674 L677 | D661-A665 VanDerWaalsContact O-CB 3.31Å; D661-A665 WeakPolarHBondContact O-CB 3.41Å; D661-A665 PolarHBondContact O-N 3.47Å; L662-A665 PolarHBondContact O-N 3.18Å; A665-G669 PolarHBondContact O-N 3.2Å; A665-N670 PolarHBondContact O-N 3.04Å; A665-R673 HydrophobicContact CB-CB 4.33Å; A665-R673 HydrophobicContact CB-CG 3.88Å; A665-L674 HydrophobicContact CB-CB 4.28Å; A665-L677 HydrophobicContact CB-CD1 3.9Å |
| 666 | A | 90.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.9 | -36.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L662 I663 Q664 G669 L674 A694 A697 A698 H703 L710 | L662-A666 WeakPolarHBondContact O-CB 3.29Å; L662-A666 PolarHBondContact O-N 3.5Å; I663-A666 WeakPolarHBondContact O-CB 2.87Å; I663-A666 PolarHBondContact O-N 3.41Å; Q664-A666 VanDerWaalsContact C-N 3.26Å; Q664-A666 PolarHBondContact O-N 2.84Å; A666-G669 PolarHBondContact O-N 2.7Å; A666-L674 HydrophobicContact CB-CD1 3.64Å; A666-A694 HydrophobicContact CB-CB 4.01Å; A666-A694 VanDerWaalsContact CB-O 3.31Å; A666-A694 WeakPolarHBondContact CB-O 3.49Å; A666-A697 HydrophobicContact CB-CB 4.32Å; A666-A698 HydrophobicContact CB-CB 4.29Å; A666-H703 PolarHBondContact O-CD2 2.7Å; A666-H703 VanDerWaalsContact O-CD2 3.29Å; A666-L710 HydrophobicContact CB-CD1 4.27Å |
| 667 | N | 89.3 | Confident | 84.1 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 24% | 0.235 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70.8 | -39.8 | 175.3 | -168.5 | 35.8 | 0 | 0 | 0 | 111.9 | I663 Q664 G669 A697 H703 | I663-N667 WeakPolarHBondContact O-CB 3.28Å; I663-N667 PolarHBondContact O-N 2.7Å; Q664-N667 PolarHBondContact O-N 3.47Å; N667-G669 PolarHBondContact O-N 3.32Å; N667-A697 HydrophobicContact CB-CB 4.23Å; N667-H703 PolarHBondContact O-CD2 3.11Å; N667-H703 PolarHBondContact O-NE2 3.37Å |
| 668 | E | 87.8 | Confident | 85.1 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.6 | 171.9 | -74.1 | 169 | -175.8 | 0 | 0 | 113.4 | Q664 N670 R673 | Q664-E668 HydrophobicContact CG-CG 4.46Å; Q664-E668 WeakPolarHBondContact CG-OE1 3.31Å; Q664-E668 PolarHBondContact NE2-OE1 3.16Å; Q664-E668 WeakPolarHBondContact O-CB 3.24Å; Q664-E668 VanDerWaalsContact O-CG 3.24Å; Q664-E668 WeakPolarHBondContact O-CG 3.35Å; Q664-E668 PolarHBondContact O-N 2.94Å; E668-N670 HydrophobicContact CB-CB 4.16Å; E668-N670 PolarHBondContact O-N 2.93Å; E668-R673 VanDerWaalsContact CD-NH1 3.26Å; E668-R673 IonicContact OE1-NH1 3.51Å; E668-R673 PolarHBondContact OE1-NH1 3.11Å; E668-R673 IonicContact OE2-CZ 3.93Å; E668-R673 IonicContact OE2-NH1 2.78Å; E668-R673 PolarHBondContact OE2-NH1 2.78Å |
| 669 | G | 87.7 | Confident | 85.4 | Confident | 22 Ų | 22 | 53 Ų | 53 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 14 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A665 A666 N667 A671 H703 | A665-G669 PolarHBondContact O-N 3.2Å; A666-G669 PolarHBondContact O-N 2.7Å; N667-G669 PolarHBondContact O-N 3.32Å; G669-A671 VanDerWaalsContact C-N 3.26Å; G669-A671 PolarHBondContact O-N 2.84Å; G669-H703 WeakPolarHBondContact CA-CD2 3.03Å; G669-H703 WeakPolarHBondContact CA-NE2 3.38Å; G669-H703 PolarHBondContact N-CD2 2.86Å; G669-H703 VanDerWaalsContact N-CD2 3.35Å; G669-H703 PolarHBondContact N-NE2 2.94Å |
| 670 | N | 88.1 | Confident | 85.3 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | trans | -78.6 | 74.7 | -173.5 | -169.6 | -18 | 0 | 0 | 0 | 111 | A665 E668 K672 R673 L674 | A665-N670 PolarHBondContact O-N 3.04Å; E668-N670 HydrophobicContact CB-CB 4.16Å; E668-N670 PolarHBondContact O-N 2.93Å; N670-K672 PolarHBondContact O-N 2.99Å; N670-R673 HydrophobicContact CB-CB 4.01Å; N670-R673 WeakPolarHBondContact ND2-CB 3.49Å; N670-R673 PolarHBondContact O-N 2.76Å; N670-R673 VanDerWaalsContact O-N 3.1Å; N670-R673 WeakPolarHBondContact OD1-CB 3.37Å; N670-R673 PolarHBondContact OD1-N 3.27Å; N670-L674 WeakPolarHBondContact O-CB 3.23Å; N670-L674 PolarHBondContact O-N 2.83Å | ||
| 671 | A | 85.8 | Confident | 84 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 24% | 0.24 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.3 | -28.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G669 K675 A705 L709 | G669-A671 VanDerWaalsContact C-N 3.26Å; G669-A671 PolarHBondContact O-N 2.84Å; A671-K675 WeakPolarHBondContact O-CB 3.32Å; A671-K675 PolarHBondContact O-N 2.73Å; A671-A705 HydrophobicContact CB-CB 4.4Å; A671-L709 HydrophobicContact CB-CD1 3.75Å; A671-L709 WeakPolarHBondContact O-CD1 3.34Å |
| 672 | K | 83.7 | Confident | 83.2 | Confident | 175 Ų | 175 | 64 Ų | 64 | 76% | 0.761 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -72.3 | -54.5 | 174.7 | -68.5 | -173.8 | 178.2 | -176.6 | 0 | 111.4 | N670 L674 K675 C676 | N670-K672 PolarHBondContact O-N 2.99Å; K672-L674 VanDerWaalsContact C-N 3.3Å; K672-L674 PolarHBondContact O-N 3.39Å; K672-K675 PolarHBondContact O-N 3.26Å; K672-C676 PolarHBondContact O-N 3.04Å; K672-C676 PolarHBondContact O-SG 2.82Å |
| 673 | R | 85.4 | Confident | 82.6 | Confident | 73 Ų | 73 | 65.1 Ų | 65.1 | 28% | 0.275 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -55.9 | -45.9 | 174.6 | -179.3 | -177.8 | 178.9 | -176.7 | 7.4 | 111 | D661 A665 E668 N670 C676 L677 | D661-R673 IonicContact OD1-CZ 3.78Å; D661-R673 IonicContact OD1-NH2 3.74Å; D661-R673 PolarHBondContact OD1-NH2 3.15Å; D661-R673 IonicContact OD2-CZ 2.76Å; D661-R673 IonicContact OD2-NE 3.04Å; D661-R673 PolarHBondContact OD2-NE 3.1Å; D661-R673 IonicContact OD2-NH2 3.86Å; D661-R673 PolarHBondContact OD2-NH2 3.49Å; A665-R673 HydrophobicContact CB-CB 4.33Å; A665-R673 HydrophobicContact CB-CG 3.88Å; E668-R673 VanDerWaalsContact CD-NH1 3.26Å; E668-R673 IonicContact OE1-NH1 3.51Å; E668-R673 PolarHBondContact OE1-NH1 3.11Å; E668-R673 IonicContact OE2-CZ 3.93Å; E668-R673 IonicContact OE2-NH1 2.78Å; E668-R673 PolarHBondContact OE2-NH1 2.78Å; N670-R673 HydrophobicContact CB-CB 4.01Å; N670-R673 WeakPolarHBondContact ND2-CB 3.49Å; N670-R673 PolarHBondContact O-N 2.76Å; N670-R673 VanDerWaalsContact O-N 3.1Å; N670-R673 WeakPolarHBondContact OD1-CB 3.37Å; N670-R673 PolarHBondContact OD1-N 3.27Å; R673-C676 PolarHBondContact O-N 3.41Å; R673-L677 HydrophobicContact CG-CD1 4.07Å; R673-L677 WeakPolarHBondContact O-CG 3.45Å; R673-L677 PolarHBondContact O-N 3.32Å |
| 674 | L | 86.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 177.7 | -176.9 | 131.9 | 0 | 0 | 0 | 112 | L662 A665 A666 N670 K672 L677 L678 C706 L709 L710 | L662-L674 HydrophobicContact CD1-CD1 4.29Å; L662-L674 HydrophobicContact CD1-CG 4.22Å; A665-L674 HydrophobicContact CB-CB 4.28Å; A666-L674 HydrophobicContact CB-CD1 3.64Å; N670-L674 WeakPolarHBondContact O-CB 3.23Å; N670-L674 PolarHBondContact O-N 2.83Å; K672-L674 VanDerWaalsContact C-N 3.3Å; K672-L674 PolarHBondContact O-N 3.39Å; L674-L677 PolarHBondContact O-N 3.4Å; L674-L678 HydrophobicContact CD2-CD1 3.54Å; L674-L678 HydrophobicContact CG-CD1 3.96Å; L674-L678 WeakPolarHBondContact O-CB 3.08Å; L674-L678 WeakPolarHBondContact O-CG 3.19Å; L674-L678 PolarHBondContact O-N 2.94Å; L674-C706 HydrophobicContact CD1-CB 4.31Å; L674-L709 HydrophobicContact CD2-CB 3.6Å; L674-L709 HydrophobicContact CD2-CD1 3.89Å; L674-L709 HydrophobicContact CD2-CG 4.4Å; L674-L710 HydrophobicContact CD1-CD1 4.21Å; L674-L710 HydrophobicContact CD1-CD2 4.19Å; L674-L710 HydrophobicContact CD1-CG 4.13Å; L674-L710 HydrophobicContact CD2-CG 4.27Å |
| 675 | K | 85.2 | Confident | 82.1 | Confident | 102 Ų | 102 | 66.5 Ų | 66.5 | 44% | 0.443 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 173.9 | -174.4 | 177.9 | 179.2 | -178.3 | 0 | 112 | A671 K672 L678 Q679 L709 | A671-K675 WeakPolarHBondContact O-CB 3.32Å; A671-K675 PolarHBondContact O-N 2.73Å; K672-K675 PolarHBondContact O-N 3.26Å; K675-L678 PolarHBondContact O-N 2.91Å; K675-Q679 VanDerWaalsContact O-CG 3.28Å; K675-Q679 WeakPolarHBondContact O-CG 3.09Å; K675-Q679 PolarHBondContact O-N 2.91Å; K675-Q679 PolarHBondContact O-OE1 2.9Å; K675-L709 HydrophobicContact CB-CD1 4.48Å |
| 676 | C | 83 | Confident | 81.9 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.6 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | K672 R673 L678 Q679 H680 | K672-C676 PolarHBondContact O-N 3.04Å; K672-C676 PolarHBondContact O-SG 2.82Å; R673-C676 PolarHBondContact O-N 3.41Å; C676-L678 PolarHBondContact O-N 3.21Å; C676-Q679 PolarHBondContact O-N 2.91Å; C676-Q679 VanDerWaalsContact O-N 3.16Å; C676-H680 PolarHBondContact O-CD2 2.95Å; C676-H680 PolarHBondContact O-N 3.36Å |
| 677 | L | 82.8 | Confident | 81.5 | Confident | 30 Ų | 30 | 68.4 Ų | 68.4 | 16% | 0.157 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57 | -47.9 | 174.7 | -72 | 169.5 | 0 | 0 | 0 | 111.2 | L662 A665 R673 L674 Q679 H680 V683 | L662-L677 HydrophobicContact CD1-CB 4.04Å; L662-L677 HydrophobicContact CD1-CD1 4.32Å; A665-L677 HydrophobicContact CB-CD1 3.9Å; R673-L677 HydrophobicContact CG-CD1 4.07Å; R673-L677 WeakPolarHBondContact O-CG 3.45Å; R673-L677 PolarHBondContact O-N 3.32Å; L674-L677 PolarHBondContact O-N 3.4Å; L677-Q679 PolarHBondContact O-N 3.16Å; L677-H680 PolarHBondContact O-N 3.24Å; L677-H680 VanDerWaalsContact O-N 3.15Å; L677-V683 WeakPolarHBondContact O-CB 3.3Å; L677-V683 WeakPolarHBondContact O-CG2 3.12Å |
| 678 | L | 83.4 | Confident | 81.2 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.3 | -18.2 | 179.2 | -66.5 | 170.3 | 0 | 0 | 0 | 114.3 | L662 L674 K675 C676 V685 L710 Y713 | L662-L678 HydrophobicContact CD1-CD2 3.94Å; L662-L678 HydrophobicContact CD1-CG 4.04Å; L662-L678 HydrophobicContact CD2-CD2 4.28Å; L674-L678 HydrophobicContact CD2-CD1 3.54Å; L674-L678 HydrophobicContact CG-CD1 3.96Å; L674-L678 WeakPolarHBondContact O-CB 3.08Å; L674-L678 WeakPolarHBondContact O-CG 3.19Å; L674-L678 PolarHBondContact O-N 2.94Å; K675-L678 PolarHBondContact O-N 2.91Å; C676-L678 PolarHBondContact O-N 3.21Å; L678-V685 HydrophobicContact CD2-CB 4.07Å; L678-V685 HydrophobicContact CD2-CG1 3.77Å; L678-V685 HydrophobicContact CD2-CG2 3.61Å; L678-L710 HydrophobicContact CD1-CD2 4.26Å; L678-L710 HydrophobicContact CD2-CD2 4.44Å; L678-Y713 HydrophobicContact CB-CD1 3.72Å; L678-Y713 HydrophobicContact CB-CD2 4.18Å; L678-Y713 HydrophobicContact CB-CE1 3.8Å; L678-Y713 HydrophobicContact CB-CE2 4.26Å; L678-Y713 HydrophobicContact CB-CG 3.91Å; L678-Y713 HydrophobicContact CD1-CD2 3.85Å; L678-Y713 HydrophobicContact CD1-CE2 4.38Å; L678-Y713 HydrophobicContact CD1-CG 3.98Å; L678-Y713 HydrophobicContact CD2-CG 4.48Å; L678-Y713 HydrophobicContact CG-CG 4.35Å; L678-Y713 WeakPolarHBondContact O-CE1 3.5Å |
| 679 | Q | 79.3 | Confident | 80.8 | Confident | 110 Ų | 110 | 69 Ų | 69 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -82.1 | -16.8 | 174.1 | -75.6 | 174 | -52.8 | 0 | 0 | 113.4 | K675 C676 L677 Y713 | K675-Q679 VanDerWaalsContact O-CG 3.28Å; K675-Q679 WeakPolarHBondContact O-CG 3.09Å; K675-Q679 PolarHBondContact O-N 2.91Å; K675-Q679 PolarHBondContact O-OE1 2.9Å; C676-Q679 PolarHBondContact O-N 2.91Å; C676-Q679 VanDerWaalsContact O-N 3.16Å; L677-Q679 PolarHBondContact O-N 3.16Å; Q679-Y713 WeakPolarHBondContact CG-OH 3.31Å |
| 680 | H | 75 | Confident | 80.1 | Confident | 102 Ų | 102 | 73.3 Ų | 73.3 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -78.5 | 125.4 | 175.4 | -68.5 | -67.2 | 0 | 0 | 0 | 111.3 | C676 L677 N682 V683 | C676-H680 PolarHBondContact O-CD2 2.95Å; C676-H680 PolarHBondContact O-N 3.36Å; L677-H680 PolarHBondContact O-N 3.24Å; L677-H680 VanDerWaalsContact O-N 3.15Å; H680-N682 PolarHBondContact O-N 2.98Å; H680-V683 HydrophobicContact CB-CG2 4.25Å; H680-V683 PolarHBondContact O-N 3.26Å; H680-V683 VanDerWaalsContact O-N 3.15Å |
| 681 | H | 57.1 | Low | 79.7 | Confident | 197 Ų | 197 | 71.6 Ų | 71.6 | 91% | 0.912 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -8.9 | -173.4 | -66.2 | -56.1 | 0 | 0 | 0 | 117.3 | ||
| 682 | N | 65.5 | Low | 79.6 | Confident | 140 Ų | 140 | 72 Ų | 72 | 75% | 0.749 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 16.3 | -177.3 | -73.8 | -14.7 | 0 | 0 | 0 | 114.2 | N658 H680 | N658-N682 PolarHBondContact ND2-O 3.03Å; H680-N682 PolarHBondContact O-N 2.98Å |
| 683 | V | 75.3 | Confident | 79.9 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 15% | 0.145 | 34% | 0.34 | C | S | . | . | trans | -96.6 | 116.9 | 178 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | L662 L677 H680 V685 | L662-V683 HydrophobicContact CD1-CG1 4.34Å; L662-V683 HydrophobicContact CD2-CG1 3.95Å; L677-V683 WeakPolarHBondContact O-CB 3.3Å; L677-V683 WeakPolarHBondContact O-CG2 3.12Å; H680-V683 HydrophobicContact CB-CG2 4.25Å; H680-V683 PolarHBondContact O-N 3.26Å; H680-V683 VanDerWaalsContact O-N 3.15Å; V683-V685 PolarHBondContact O-N 3.34Å | ||
| 684 | N | 81.1 | Confident | 80.1 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | trans | -77.4 | 105.4 | 171.3 | 178.6 | 13.7 | 0 | 0 | 0 | 110 | N686 G687 | N684-N686 PolarHBondContact O-N 3.2Å; N684-N686 VanDerWaalsContact O-N 3.17Å; N684-N686 WeakPolarHBondContact OD1-CA 3.39Å; N684-N686 PolarHBondContact OD1-N 2.9Å; N684-G687 PolarHBondContact ND2-N 2.77Å; N684-G687 WeakPolarHBondContact O-CA 3.32Å; N684-G687 PolarHBondContact O-N 2.78Å | ||
| 685 | V | 83.2 | Confident | 80.4 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -29.3 | 175.1 | -165.8 | 0 | 0 | 0 | 0 | 112.6 | L678 V683 G687 L710 Y713 A715 | L678-V685 HydrophobicContact CD2-CB 4.07Å; L678-V685 HydrophobicContact CD2-CG1 3.77Å; L678-V685 HydrophobicContact CD2-CG2 3.61Å; V683-V685 PolarHBondContact O-N 3.34Å; V685-G687 VanDerWaalsContact C-N 3.33Å; V685-L710 HydrophobicContact CG1-CD2 3.95Å; V685-Y713 WeakPolarHBondContact CG2-O 3.43Å; V685-A715 HydrophobicContact CG1-CB 3.98Å |
| 686 | N | 84.5 | Confident | 80.6 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 27 | 176.7 | -65.9 | -84.7 | 0 | 0 | 0 | 111.6 | N684 G714 R716 N719 | N684-N686 PolarHBondContact O-N 3.2Å; N684-N686 VanDerWaalsContact O-N 3.17Å; N684-N686 WeakPolarHBondContact OD1-CA 3.39Å; N684-N686 PolarHBondContact OD1-N 2.9Å; N686-G714 PolarHBondContact ND2-O 3.26Å; N686-R716 WeakPolarHBondContact OD1-CB 3.38Å; N686-R716 WeakPolarHBondContact OD1-CG 3.3Å; N686-R716 PolarHBondContact OD1-N 2.66Å; N686-N719 PolarHBondContact OD1-ND2 3.02Å |
| 687 | G | 82.3 | Confident | 81 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 4% | 0.041 | 29% | 0.286 | C | S | . | . | trans | -63.2 | 139.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N684 V685 | N684-G687 PolarHBondContact ND2-N 2.77Å; N684-G687 WeakPolarHBondContact O-CA 3.32Å; N684-G687 PolarHBondContact O-N 2.78Å; V685-G687 VanDerWaalsContact C-N 3.33Å | ||
| 688 | I | 83.3 | Confident | 81.4 | Confident | 109 Ų | 109 | 51 Ų | 51 | 56% | 0.559 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 145.3 | 172.5 | 52.1 | 173.7 | 0 | 0 | 0 | 110.3 | S659 L692 T693 | S659-I688 PolarHBondContact OG-O 3.46Å; S659-I688 VanDerWaalsContact OG-O 3.12Å; I688-L692 VanDerWaalsContact CA-O 3.31Å; I688-L692 WeakPolarHBondContact CA-O 3.39Å; I688-T693 HydrophobicContact CG2-CG2 3.74Å |
| 689 | S | 79.1 | Confident | 81.8 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 22% | 0.217 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 137.6 | 162.9 | -169.4 | 0 | 0 | 0 | 0 | 108.4 | G691 L692 | S689-G691 PolarHBondContact O-N 2.81Å; S689-L692 PolarHBondContact N-O 3.44Å; S689-L692 PolarHBondContact O-N 2.81Å |
| 690 | S | 72.9 | Confident | 82.3 | Confident | 113 Ų | 113 | 48.2 Ų | 48.2 | 79% | 0.79 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 28.8 | -171 | -59.9 | 0 | 0 | 0 | 0 | 114.4 | L692 | S690-L692 PolarHBondContact O-N 2.8Š|
| 691 | G | 79.3 | Confident | 83 | Confident | 28 Ų | 28 | 44.9 Ų | 44.9 | 29% | 0.289 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -16.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S689 D721 | S689-G691 PolarHBondContact O-N 2.81Å; G691-D721 WeakPolarHBondContact O-CA 3.22Å |
| 692 | L | 84.7 | Confident | 84.5 | Confident | 38 Ų | 38 | 36.5 Ų | 36.5 | 20% | 0.199 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 146.8 | -179.6 | -157.9 | 69.9 | 0 | 0 | 0 | 111 | I663 I688 S689 S690 H696 A697 D721 | I663-L692 VanDerWaalsContact CD1-O 3.25Å; I663-L692 WeakPolarHBondContact CD1-O 3.42Å; I663-L692 HydrophobicContact CG2-CD2 4.38Å; I688-L692 VanDerWaalsContact CA-O 3.31Å; I688-L692 WeakPolarHBondContact CA-O 3.39Å; S689-L692 PolarHBondContact N-O 3.44Å; S689-L692 PolarHBondContact O-N 2.81Å; S690-L692 PolarHBondContact O-N 2.8Å; L692-H696 HydrophobicContact CD1-CB 3.45Å; L692-H696 VanDerWaalsContact CD1-CB 3.45Å; L692-H696 HydrophobicContact CG-CB 3.88Å; L692-A697 HydrophobicContact CD2-CB 3.94Å; L692-D721 HydrophobicContact CD1-CB 4.35Å |
| 693 | T | 89.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 162.8 | 166.9 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | I688 L695 H696 A697 N719 | I688-T693 HydrophobicContact CG2-CG2 3.74Å; T693-L695 PolarHBondContact O-N 2.79Å; T693-L695 PolarHBondContact OG1-N 2.66Å; T693-H696 WeakPolarHBondContact CB-ND1 3.43Å; T693-H696 PolarHBondContact N-ND1 3Å; T693-H696 PolarHBondContact O-N 3.19Å; T693-H696 VanDerWaalsContact O-N 3.1Å; T693-H696 VanDerWaalsContact OG1-CG 3.31Å; T693-H696 PolarHBondContact OG1-N 3.39Å; T693-H696 VanDerWaalsContact OG1-N 3.11Å; T693-H696 PolarHBondContact OG1-ND1 2.88Å; T693-A697 PolarHBondContact O-N 3.02Å; T693-N719 HydrophobicContact CG2-CB 3.92Å |
| 694 | A | 90.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -32.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L662 I663 A666 A698 L710 | L662-A694 HydrophobicContact CD2-CB 4Å; L662-A694 HydrophobicContact CG-CB 3.89Å; I663-A694 HydrophobicContact CG1-CB 4.15Å; A666-A694 HydrophobicContact CB-CB 4.01Å; A666-A694 VanDerWaalsContact CB-O 3.31Å; A666-A694 WeakPolarHBondContact CB-O 3.49Å; A694-A698 WeakPolarHBondContact O-CB 3.24Å; A694-A698 PolarHBondContact O-N 2.74Å; A694-L710 HydrophobicContact CB-CD1 4.02Å; A694-L710 HydrophobicContact CB-CD2 3.89Å; A694-L710 VanDerWaalsContact O-CD1 3.31Å; A694-L710 WeakPolarHBondContact O-CD1 3.32Å |
| 695 | L | 91.2 | Very high | 86.6 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.2 | -40.1 | 175.9 | -174.1 | 63.9 | 0 | 0 | 0 | 111.8 | T693 A698 C699 V707 L710 L711 A715 A727 | T693-L695 PolarHBondContact O-N 2.79Å; T693-L695 PolarHBondContact OG1-N 2.66Å; L695-A698 PolarHBondContact O-N 2.76Å; L695-C699 WeakPolarHBondContact O-CB 3.47Å; L695-C699 PolarHBondContact O-N 3.11Å; L695-C699 PolarHBondContact O-SG 3.28Å; L695-V707 HydrophobicContact CD1-CG1 4.08Å; L695-L710 HydrophobicContact CB-CD1 4.49Å; L695-L710 HydrophobicContact CD1-CB 4.25Å; L695-L711 HydrophobicContact CD1-CD2 4.33Å; L695-L711 HydrophobicContact CD1-CG 4.36Å; L695-L711 HydrophobicContact CD2-CD2 4.2Å; L695-A715 HydrophobicContact CB-CB 4.19Å; L695-A715 HydrophobicContact CD2-CB 4.09Å; L695-A727 HydrophobicContact CD2-CB 3.97Å; L695-A727 HydrophobicContact CG-CB 4.04Å |
| 696 | H | 90.8 | Very high | 86.9 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 173.4 | -63.6 | 124.3 | 0 | 0 | 0 | 111.3 | L692 T693 C699 Q700 N719 L720 D721 N725 E726 A727 S730 | L692-H696 HydrophobicContact CD1-CB 3.45Å; L692-H696 VanDerWaalsContact CD1-CB 3.45Å; L692-H696 HydrophobicContact CG-CB 3.88Å; T693-H696 WeakPolarHBondContact CB-ND1 3.43Å; T693-H696 PolarHBondContact N-ND1 3Å; T693-H696 PolarHBondContact O-N 3.19Å; T693-H696 VanDerWaalsContact O-N 3.1Å; T693-H696 VanDerWaalsContact OG1-CG 3.31Å; T693-H696 PolarHBondContact OG1-N 3.39Å; T693-H696 VanDerWaalsContact OG1-N 3.11Å; T693-H696 PolarHBondContact OG1-ND1 2.88Å; H696-C699 PolarHBondContact O-N 3.41Å; H696-Q700 WeakPolarHBondContact O-CB 3.27Å; H696-Q700 PolarHBondContact O-N 2.95Å; H696-N719 PolarHBondContact CE1-O 2.97Å; H696-N719 PolarHBondContact NE2-O 3.33Å; H696-L720 WeakPolarHBondContact CE1-CA 3.29Å; H696-L720 PolarHBondContact CE1-N 3.45Å; H696-L720 PolarHBondContact CE1-O 3.46Å; H696-D721 PolarHBondContact CE1-N 2.86Å; H696-N725 PolarHBondContact NE2-O 2.84Å; H696-E726 WeakPolarHBondContact NE2-CA 3.33Å; H696-A727 PolarHBondContact NE2-N 3.24Å; H696-A727 VanDerWaalsContact NE2-N 3.14Å; H696-S730 PolarHBondContact CD2-OG 2.86Å |
| 697 | A | 90 | Very high | 87.1 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -49.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I663 A666 N667 L692 T693 C699 Q700 A701 | I663-A697 HydrophobicContact CG2-CB 4.2Å; A666-A697 HydrophobicContact CB-CB 4.32Å; N667-A697 HydrophobicContact CB-CB 4.23Å; L692-A697 HydrophobicContact CD2-CB 3.94Å; T693-A697 PolarHBondContact O-N 3.02Å; A697-C699 PolarHBondContact O-N 2.79Å; A697-Q700 PolarHBondContact O-N 2.95Å; A697-A701 VanDerWaalsContact O-CB 3.32Å; A697-A701 WeakPolarHBondContact O-CB 3.17Å; A697-A701 PolarHBondContact O-N 2.92Å |
| 698 | A | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | A666 A694 L695 G702 H703 C706 V707 L710 | A666-A698 HydrophobicContact CB-CB 4.29Å; A694-A698 WeakPolarHBondContact O-CB 3.24Å; A694-A698 PolarHBondContact O-N 2.74Å; L695-A698 PolarHBondContact O-N 2.76Å; A698-G702 PolarHBondContact O-N 2.76Å; A698-G702 VanDerWaalsContact O-N 3.14Å; A698-H703 PolarHBondContact O-N 2.74Å; A698-C706 HydrophobicContact CB-CB 3.95Å; A698-V707 HydrophobicContact CB-CG2 3.7Å; A698-L710 HydrophobicContact CB-CD1 3.9Å |
| 699 | C | 91.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.8 | -41.7 | 176.4 | -71.9 | 0 | 0 | 0 | 0 | 112.7 | L695 H696 A697 G702 A731 S734 I739 | L695-C699 WeakPolarHBondContact O-CB 3.47Å; L695-C699 PolarHBondContact O-N 3.11Å; L695-C699 PolarHBondContact O-SG 3.28Å; H696-C699 PolarHBondContact O-N 3.41Å; A697-C699 PolarHBondContact O-N 2.79Å; C699-G702 PolarHBondContact O-N 3.05Å; C699-A731 HydrophobicContact CB-CB 4.33Å; C699-S734 VanDerWaalsContact O-CB 3.23Å; C699-S734 WeakPolarHBondContact O-CB 3.36Å; C699-S734 PolarHBondContact O-OG 2.95Å; C699-I739 HydrophobicContact CB-CG2 4.29Å |
| 700 | Q | 89.5 | Confident | 87.8 | Confident | 66 Ų | 66 | 25.9 Ų | 25.9 | 31% | 0.308 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.5 | -38.6 | 179.2 | 177.1 | 171.5 | -33 | 0 | 0 | 112.3 | Y615 H696 A697 S734 | Y615-Q700 PolarHBondContact OH-NE2 2.93Å; H696-Q700 WeakPolarHBondContact O-CB 3.27Å; H696-Q700 PolarHBondContact O-N 2.95Å; A697-Q700 PolarHBondContact O-N 2.95Å; Q700-S734 VanDerWaalsContact O-CB 3.22Å; Q700-S734 WeakPolarHBondContact O-CB 3.26Å |
| 701 | A | 88.7 | Confident | 88.5 | Confident | 31 Ų | 31 | 20.8 Ų | 20.8 | 26% | 0.256 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -84.5 | -8.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A697 H703 | A697-A701 VanDerWaalsContact O-CB 3.32Å; A697-A701 WeakPolarHBondContact O-CB 3.17Å; A697-A701 PolarHBondContact O-N 2.92Å; A701-H703 WeakPolarHBondContact CB-CD2 3.38Å |
| 702 | G | 89.8 | Confident | 88.7 | Confident | 21 Ų | 21 | 23.6 Ų | 23.6 | 22% | 0.216 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 12.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A698 C699 L704 N736 | A698-G702 PolarHBondContact O-N 2.76Å; A698-G702 VanDerWaalsContact O-N 3.14Å; C699-G702 PolarHBondContact O-N 3.05Å; G702-L704 PolarHBondContact O-N 3.35Å; G702-N736 WeakPolarHBondContact CA-ND2 3.44Å |
| 703 | H | 91 | Very high | 88.6 | Confident | 60 Ų | 60 | 26 Ų | 26 | 28% | 0.278 | 14% | 0.143 | S | C | . | . | trans | -82.7 | 76.7 | -170.7 | -64.7 | -53.3 | 0 | 0 | 0 | 113 | A666 N667 G669 A698 A701 A705 C706 V707 | A666-H703 PolarHBondContact O-CD2 2.7Å; A666-H703 VanDerWaalsContact O-CD2 3.29Å; N667-H703 PolarHBondContact O-CD2 3.11Å; N667-H703 PolarHBondContact O-NE2 3.37Å; G669-H703 WeakPolarHBondContact CA-CD2 3.03Å; G669-H703 WeakPolarHBondContact CA-NE2 3.38Å; G669-H703 PolarHBondContact N-CD2 2.86Å; G669-H703 VanDerWaalsContact N-CD2 3.35Å; G669-H703 PolarHBondContact N-NE2 2.94Å; A698-H703 PolarHBondContact O-N 2.74Å; A701-H703 WeakPolarHBondContact CB-CD2 3.38Å; H703-A705 PolarHBondContact O-N 2.95Å; H703-A705 VanDerWaalsContact O-N 3.11Å; H703-C706 HydrophobicContact CB-CB 3.95Å; H703-C706 WeakPolarHBondContact O-CA 3.48Å; H703-C706 PolarHBondContact O-N 3.13Å; H703-V707 PolarHBondContact O-N 2.79Å | ||
| 704 | L | 88.3 | Confident | 88.2 | Confident | 67 Ų | 67 | 28 Ų | 28 | 35% | 0.351 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -46.1 | -43.4 | -178.4 | -168.9 | 71.6 | 0 | 0 | 0 | 113.7 | G702 V707 I708 D738 I739 I742 | G702-L704 PolarHBondContact O-N 3.35Å; L704-V707 PolarHBondContact O-N 3.41Å; L704-I708 HydrophobicContact CG-CD1 4.16Å; L704-I708 WeakPolarHBondContact O-CB 3.44Å; L704-I708 VanDerWaalsContact O-CG1 3.3Å; L704-I708 WeakPolarHBondContact O-CG1 3.5Å; L704-I708 PolarHBondContact O-N 3.1Å; L704-D738 HydrophobicContact CD1-CB 4.31Å; L704-I739 HydrophobicContact CD1-CG1 3.68Å; L704-I742 HydrophobicContact CD1-CD1 3.69Å; L704-I742 HydrophobicContact CG-CD1 4.35Å |
| 705 | A | 86.5 | Confident | 87.9 | Confident | 57 Ų | 57 | 28.1 Ų | 28.1 | 47% | 0.471 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.2 | -37.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A671 H703 L709 | A671-A705 HydrophobicContact CB-CB 4.4Å; H703-A705 PolarHBondContact O-N 2.95Å; H703-A705 VanDerWaalsContact O-N 3.11Å; A705-L709 WeakPolarHBondContact O-CG 3.38Å; A705-L709 PolarHBondContact O-N 3.26Å |
| 706 | C | 89.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.9 | -38.6 | 174.9 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | L674 A698 H703 I708 L709 L710 | L674-C706 HydrophobicContact CD1-CB 4.31Å; A698-C706 HydrophobicContact CB-CB 3.95Å; H703-C706 HydrophobicContact CB-CB 3.95Å; H703-C706 WeakPolarHBondContact O-CA 3.48Å; H703-C706 PolarHBondContact O-N 3.13Å; C706-I708 VanDerWaalsContact C-N 3.35Å; C706-I708 PolarHBondContact O-N 2.5Å; C706-L709 PolarHBondContact O-N 2.79Å; C706-L710 VanDerWaalsContact O-CB 3.3Å; C706-L710 WeakPolarHBondContact O-CB 3.45Å; C706-L710 WeakPolarHBondContact O-CD1 3.06Å; C706-L710 VanDerWaalsContact O-CG 3.22Å; C706-L710 WeakPolarHBondContact O-CG 3.22Å; C706-L710 PolarHBondContact O-N 2.82Å |
| 707 | V | 88.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -47.4 | 171.7 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | L695 A698 H703 L704 L710 L711 I739 | L695-V707 HydrophobicContact CD1-CG1 4.08Å; A698-V707 HydrophobicContact CB-CG2 3.7Å; H703-V707 PolarHBondContact O-N 2.79Å; L704-V707 PolarHBondContact O-N 3.41Å; V707-L710 PolarHBondContact O-N 3.16Å; V707-L711 HydrophobicContact CG1-CD1 3.82Å; V707-L711 HydrophobicContact CG1-CG 4.37Å; V707-L711 WeakPolarHBondContact O-CB 3.4Å; V707-L711 VanDerWaalsContact O-CG 3.23Å; V707-L711 WeakPolarHBondContact O-CG 3.34Å; V707-L711 PolarHBondContact O-N 3.43Å; V707-I739 HydrophobicContact CG1-CG2 4.31Å; V707-I739 HydrophobicContact CG2-CD1 4.24Å; V707-I739 HydrophobicContact CG2-CG2 4.17Å |
| 708 | I | 86.5 | Confident | 86.8 | Confident | 32 Ų | 32 | 37.7 Ų | 37.7 | 16% | 0.164 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -50.6 | 177.6 | -73.9 | 166 | 0 | 0 | 0 | 111.3 | L704 C706 L710 L711 Q712 I742 L754 | L704-I708 HydrophobicContact CG-CD1 4.16Å; L704-I708 WeakPolarHBondContact O-CB 3.44Å; L704-I708 VanDerWaalsContact O-CG1 3.3Å; L704-I708 WeakPolarHBondContact O-CG1 3.5Å; L704-I708 PolarHBondContact O-N 3.1Å; C706-I708 VanDerWaalsContact C-N 3.35Å; C706-I708 PolarHBondContact O-N 2.5Å; I708-L710 PolarHBondContact O-N 3.08Å; I708-L711 PolarHBondContact O-N 3.46Å; I708-Q712 WeakPolarHBondContact O-CG 3.24Å; I708-Q712 PolarHBondContact O-N 3.33Å; I708-I742 HydrophobicContact CD1-CD1 3.8Å; I708-I742 HydrophobicContact CG1-CD1 3.77Å; I708-L754 HydrophobicContact CG2-CD1 3.39Å; I708-L754 HydrophobicContact CG2-CD2 4.13Å; I708-L754 HydrophobicContact CG2-CG 4.42Å |
| 709 | L | 85.8 | Confident | 86.4 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 178.5 | -76.4 | 166.3 | 0 | 0 | 0 | 111.6 | A671 L674 K675 A705 C706 L711 Q712 Y713 | A671-L709 HydrophobicContact CB-CD1 3.75Å; A671-L709 WeakPolarHBondContact O-CD1 3.34Å; L674-L709 HydrophobicContact CD2-CB 3.6Å; L674-L709 HydrophobicContact CD2-CD1 3.89Å; L674-L709 HydrophobicContact CD2-CG 4.4Å; K675-L709 HydrophobicContact CB-CD1 4.48Å; A705-L709 WeakPolarHBondContact O-CG 3.38Å; A705-L709 PolarHBondContact O-N 3.26Å; C706-L709 PolarHBondContact O-N 2.79Å; L709-L711 VanDerWaalsContact C-N 3.32Å; L709-L711 PolarHBondContact O-N 2.85Å; L709-Q712 WeakPolarHBondContact O-CB 3.13Å; L709-Q712 PolarHBondContact O-N 2.97Å; L709-Q712 VanDerWaalsContact O-N 3.13Å; L709-Y713 HydrophobicContact CD2-CE2 4.5Å; L709-Y713 WeakPolarHBondContact O-CD2 3.47Å; L709-Y713 PolarHBondContact O-N 3.43Å |
| 710 | L | 87.6 | Confident | 86 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 177.9 | -74.4 | 167.7 | 0 | 0 | 0 | 111.7 | A666 L674 L678 V685 A694 L695 A698 C706 V707 I708 Y713 G714 A715 | A666-L710 HydrophobicContact CB-CD1 4.27Å; L674-L710 HydrophobicContact CD1-CD1 4.21Å; L674-L710 HydrophobicContact CD1-CD2 4.19Å; L674-L710 HydrophobicContact CD1-CG 4.13Å; L674-L710 HydrophobicContact CD2-CG 4.27Å; L678-L710 HydrophobicContact CD1-CD2 4.26Å; L678-L710 HydrophobicContact CD2-CD2 4.44Å; V685-L710 HydrophobicContact CG1-CD2 3.95Å; A694-L710 HydrophobicContact CB-CD1 4.02Å; A694-L710 HydrophobicContact CB-CD2 3.89Å; A694-L710 VanDerWaalsContact O-CD1 3.31Å; A694-L710 WeakPolarHBondContact O-CD1 3.32Å; L695-L710 HydrophobicContact CB-CD1 4.49Å; L695-L710 HydrophobicContact CD1-CB 4.25Å; A698-L710 HydrophobicContact CB-CD1 3.9Å; C706-L710 VanDerWaalsContact O-CB 3.3Å; C706-L710 WeakPolarHBondContact O-CB 3.45Å; C706-L710 WeakPolarHBondContact O-CD1 3.06Å; C706-L710 VanDerWaalsContact O-CG 3.22Å; C706-L710 WeakPolarHBondContact O-CG 3.22Å; C706-L710 PolarHBondContact O-N 2.82Å; V707-L710 PolarHBondContact O-N 3.16Å; I708-L710 PolarHBondContact O-N 3.08Å; L710-Y713 CarbonylContact O-C 3.33Å; L710-Y713 PolarHBondContact O-N 2.98Å; L710-G714 PolarHBondContact O-N 3.23Å; L710-A715 HydrophobicContact CB-CB 3.79Å; L710-A715 WeakPolarHBondContact O-CB 3.37Å; L710-A715 PolarHBondContact O-N 3.41Å |
| 711 | L | 86.4 | Confident | 85.9 | Confident | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -33.7 | 175.6 | -67.1 | 173.4 | 0 | 0 | 0 | 113 | L695 V707 I708 L709 G714 R717 I742 L743 I750 | L695-L711 HydrophobicContact CD1-CD2 4.33Å; L695-L711 HydrophobicContact CD1-CG 4.36Å; L695-L711 HydrophobicContact CD2-CD2 4.2Å; V707-L711 HydrophobicContact CG1-CD1 3.82Å; V707-L711 HydrophobicContact CG1-CG 4.37Å; V707-L711 WeakPolarHBondContact O-CB 3.4Å; V707-L711 VanDerWaalsContact O-CG 3.23Å; V707-L711 WeakPolarHBondContact O-CG 3.34Å; V707-L711 PolarHBondContact O-N 3.43Å; I708-L711 PolarHBondContact O-N 3.46Å; L709-L711 VanDerWaalsContact C-N 3.32Å; L709-L711 PolarHBondContact O-N 2.85Å; L711-G714 PolarHBondContact O-N 3.06Å; L711-R717 HydrophobicContact CD2-CG 3.73Å; L711-I742 HydrophobicContact CD1-CG2 3.68Å; L711-L743 HydrophobicContact CD1-CD2 4.3Å; L711-L743 HydrophobicContact CD2-CD2 4.48Å; L711-I750 HydrophobicContact CD1-CD1 4.08Å |
| 712 | Q | 83.6 | Confident | 85.7 | Confident | 86 Ų | 86 | 44.1 Ų | 44.1 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.1 | -39.4 | 172.8 | -75.3 | 178.6 | -55 | 0 | 0 | 112.2 | I708 L709 G714 L754 | I708-Q712 WeakPolarHBondContact O-CG 3.24Å; I708-Q712 PolarHBondContact O-N 3.33Å; L709-Q712 WeakPolarHBondContact O-CB 3.13Å; L709-Q712 PolarHBondContact O-N 2.97Å; L709-Q712 VanDerWaalsContact O-N 3.13Å; Q712-G714 VanDerWaalsContact C-N 3.3Å; Q712-G714 PolarHBondContact O-N 3.45Å; Q712-L754 HydrophobicContact CG-CD1 4.17Å |
| 713 | Y | 83.6 | Confident | 85.4 | Confident | 89 Ų | 89 | 45.5 Ų | 45.5 | 35% | 0.349 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 8.9 | 178.1 | -77 | -98.2 | 0 | 0 | 0 | 113.7 | L678 Q679 V685 L709 L710 | L678-Y713 HydrophobicContact CB-CD1 3.72Å; L678-Y713 HydrophobicContact CB-CD2 4.18Å; L678-Y713 HydrophobicContact CB-CE1 3.8Å; L678-Y713 HydrophobicContact CB-CE2 4.26Å; L678-Y713 HydrophobicContact CB-CG 3.91Å; L678-Y713 HydrophobicContact CD1-CD2 3.85Å; L678-Y713 HydrophobicContact CD1-CE2 4.38Å; L678-Y713 HydrophobicContact CD1-CG 3.98Å; L678-Y713 HydrophobicContact CD2-CG 4.48Å; L678-Y713 HydrophobicContact CG-CG 4.35Å; L678-Y713 WeakPolarHBondContact O-CE1 3.5Å; Q679-Y713 WeakPolarHBondContact CG-OH 3.31Å; V685-Y713 WeakPolarHBondContact CG2-O 3.43Å; L709-Y713 HydrophobicContact CD2-CE2 4.5Å; L709-Y713 WeakPolarHBondContact O-CD2 3.47Å; L709-Y713 PolarHBondContact O-N 3.43Å; L710-Y713 CarbonylContact O-C 3.33Å; L710-Y713 PolarHBondContact O-N 2.98Å |
| 714 | G | 80.5 | Confident | 85 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 44% | 0.443 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 30.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | N686 L710 L711 Q712 R716 | N686-G714 PolarHBondContact ND2-O 3.26Å; L710-G714 PolarHBondContact O-N 3.23Å; L711-G714 PolarHBondContact O-N 3.06Å; Q712-G714 VanDerWaalsContact C-N 3.3Å; Q712-G714 PolarHBondContact O-N 3.45Å; G714-R716 PolarHBondContact O-N 3.01Å |
| 715 | A | 85.1 | Confident | 84.9 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | trans | -65.6 | 125.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V685 L695 L710 R717 | V685-A715 HydrophobicContact CG1-CB 3.98Å; L695-A715 HydrophobicContact CB-CB 4.19Å; L695-A715 HydrophobicContact CD2-CB 4.09Å; L710-A715 HydrophobicContact CB-CB 3.79Å; L710-A715 WeakPolarHBondContact O-CB 3.37Å; L710-A715 PolarHBondContact O-N 3.41Å; A715-R717 PolarHBondContact O-N 2.67Å | ||
| 716 | R | 83.1 | Confident | 84.9 | Confident | 143 Ų | 143 | 42 Ų | 42 | 54% | 0.54 | 22% | 0.222 | S | C | . | . | trans | -81.1 | 118.6 | -178.1 | -67.5 | 173.5 | 177.5 | 169.7 | 1.1 | 110.9 | N686 G714 R718 N719 | N686-R716 WeakPolarHBondContact OD1-CB 3.38Å; N686-R716 WeakPolarHBondContact OD1-CG 3.3Å; N686-R716 PolarHBondContact OD1-N 2.66Å; G714-R716 PolarHBondContact O-N 3.01Å; R716-R718 PolarHBondContact O-N 2.99Å; R716-N719 WeakPolarHBondContact CB-OD1 3.36Å; R716-N719 PolarHBondContact O-N 2.64Å | ||
| 717 | R | 83.4 | Confident | 84.8 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 2% | 0.019 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.8 | -178.3 | -47.3 | -179.3 | -168.3 | -172.2 | 2.6 | 114.4 | L711 A715 A727 L743 R745 H747 S790 | L711-R717 HydrophobicContact CD2-CG 3.73Å; A715-R717 PolarHBondContact O-N 2.67Å; R717-A727 PolarHBondContact O-N 2.92Å; R717-L743 HydrophobicContact CB-CD2 4.44Å; R717-L743 HydrophobicContact CG-CD2 4.16Å; R717-L743 PolarHBondContact NH1-O 3.47Å; R717-R745 VanDerWaalsContact CZ-O 3.27Å; R717-R745 PolarHBondContact NH1-O 3.48Å; R717-R745 PolarHBondContact NH2-O 3.21Å; R717-H747 PolarHBondContact NE-CE1 2.92Å; R717-H747 VanDerWaalsContact NE-CE1 3.32Å; R717-H747 PolarHBondContact NE-NE2 2.96Å; R717-H747 PolarHBondContact NH2-CD2 3.29Å; R717-H747 PolarHBondContact NH2-CE1 3.08Å; R717-H747 PolarHBondContact NH2-NE2 2.93Å; R717-S790 VanDerWaalsContact CB-OG 3.26Å; R717-S790 WeakPolarHBondContact CB-OG 3.33Å |
| 718 | R | 81.7 | Confident | 84.9 | Confident | 57 Ų | 57 | 42.1 Ų | 42.1 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 19.2 | -178.5 | -55.8 | -165.2 | -69.1 | 167.2 | -7.8 | 114 | R333 R716 E726 | R333-R718 PolarHBondContact O-NH2 2.91Å; R716-R718 PolarHBondContact O-N 2.99Å; R718-E726 HydrophobicContact CB-CG 4.47Å; R718-E726 WeakPolarHBondContact CB-OE1 3.43Å; R718-E726 WeakPolarHBondContact CG-OE1 3.46Å |
| 719 | N | 83.2 | Confident | 85 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | trans | -68.2 | 146 | 162.4 | -66.7 | -16.5 | 0 | 0 | 0 | 108.3 | N686 T693 H696 R716 | N686-N719 PolarHBondContact OD1-ND2 3.02Å; T693-N719 HydrophobicContact CG2-CB 3.92Å; H696-N719 PolarHBondContact CE1-O 2.97Å; H696-N719 PolarHBondContact NE2-O 3.33Å; R716-N719 WeakPolarHBondContact CB-OD1 3.36Å; R716-N719 PolarHBondContact O-N 2.64Å | ||
| 720 | L | 84.8 | Confident | 85.2 | Confident | 84 Ų | 84 | 39.7 Ų | 39.7 | 44% | 0.44 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -101.3 | 148.4 | 178.6 | -56.9 | -175.7 | 0 | 0 | 0 | 110.4 | H696 D724 N725 E726 | H696-L720 WeakPolarHBondContact CE1-CA 3.29Å; H696-L720 PolarHBondContact CE1-N 3.45Å; H696-L720 PolarHBondContact CE1-O 3.46Å; L720-D724 HydrophobicContact CD1-CB 4.34Å; L720-N725 WeakPolarHBondContact CA-O 3.16Å; L720-E726 HydrophobicContact CD2-CG 3.69Å |
| 721 | D | 85.8 | Confident | 85.3 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | trans | -89.7 | -173.7 | 168.7 | 77.2 | 5.6 | 0 | 0 | 0 | 112.2 | G691 L692 H696 S723 D724 N725 | G691-D721 WeakPolarHBondContact O-CA 3.22Å; L692-D721 HydrophobicContact CD1-CB 4.35Å; H696-D721 PolarHBondContact CE1-N 2.86Å; D721-S723 PolarHBondContact O-N 3.49Å; D721-S723 WeakPolarHBondContact OD1-CA 3.43Å; D721-S723 PolarHBondContact OD1-N 3.06Å; D721-S723 PolarHBondContact OD1-OG 3.27Å; D721-S723 PolarHBondContact OD2-OG 2.94Å; D721-D724 PolarHBondContact O-N 3.08Å; D721-D724 VanDerWaalsContact O-N 3.08Å; D721-D724 PolarHBondContact OD1-N 2.73Å; D721-N725 PolarHBondContact N-O 3.08Å; D721-N725 VanDerWaalsContact N-O 3.1Å; D721-N725 WeakPolarHBondContact OD1-CB 3.46Å; D721-N725 PolarHBondContact OD1-N 3.02Å; D721-N725 PolarHBondContact OD1-ND2 3.38Å; D721-N725 WeakPolarHBondContact OD2-CB 3.4Å; D721-N725 PolarHBondContact OD2-ND2 2.86Å | ||
| 722 | S | 84.9 | Confident | 85.5 | Confident | 99 Ų | 99 | 39.4 Ų | 39.4 | 69% | 0.692 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -3.9 | 178.3 | 46.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 723 | S | 82.6 | Confident | 85.7 | Confident | 49 Ų | 49 | 38.6 Ų | 38.6 | 34% | 0.343 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 21.4 | 175.7 | 42.2 | 0 | 0 | 0 | 0 | 112.3 | D721 N725 A797 | D721-S723 PolarHBondContact O-N 3.49Å; D721-S723 WeakPolarHBondContact OD1-CA 3.43Å; D721-S723 PolarHBondContact OD1-N 3.06Å; D721-S723 PolarHBondContact OD1-OG 3.27Å; D721-S723 PolarHBondContact OD2-OG 2.94Å; S723-N725 PolarHBondContact O-N 3.35Å; S723-N725 PolarHBondContact OG-ND2 2.87Å; S723-A797 VanDerWaalsContact O-CB 3.29Å; S723-A797 WeakPolarHBondContact O-CB 3.18Å; S723-A797 PolarHBondContact O-N 2.93Å |
| 724 | D | 82.9 | Confident | 85.8 | Confident | 83 Ų | 83 | 36 Ų | 36 | 44% | 0.444 | 20% | 0.199 | S | C | . | . | trans | 57.8 | 25.2 | -176.1 | -66.5 | -39.1 | 0 | 0 | 0 | 114.9 | L720 D721 E726 A797 | L720-D724 HydrophobicContact CD1-CB 4.34Å; D721-D724 PolarHBondContact O-N 3.08Å; D721-D724 VanDerWaalsContact O-N 3.08Å; D721-D724 PolarHBondContact OD1-N 2.73Å; D724-E726 PolarHBondContact O-N 2.81Å; D724-A797 HydrophobicContact CB-CB 4.21Å | ||
| 725 | N | 86.7 | Confident | 86.2 | Confident | 18 Ų | 18 | 35.1 Ų | 35.1 | 10% | 0.096 | 19% | 0.19 | C | C | . | . | trans | -77.8 | 121.3 | 174.9 | -63.2 | -50.6 | 0 | 0 | 0 | 111.9 | H696 L720 D721 S723 H729 N796 | H696-N725 PolarHBondContact NE2-O 2.84Å; L720-N725 WeakPolarHBondContact CA-O 3.16Å; D721-N725 PolarHBondContact N-O 3.08Å; D721-N725 VanDerWaalsContact N-O 3.1Å; D721-N725 WeakPolarHBondContact OD1-CB 3.46Å; D721-N725 PolarHBondContact OD1-N 3.02Å; D721-N725 PolarHBondContact OD1-ND2 3.38Å; D721-N725 WeakPolarHBondContact OD2-CB 3.4Å; D721-N725 PolarHBondContact OD2-ND2 2.86Å; S723-N725 PolarHBondContact O-N 3.35Å; S723-N725 PolarHBondContact OG-ND2 2.87Å; N725-H729 HydrophobicContact CB-CB 3.88Å; N725-N796 WeakPolarHBondContact OD1-CB 3.47Å; N725-N796 PolarHBondContact OD1-ND2 3.05Å | ||
| 726 | E | 86.7 | Confident | 86.3 | Confident | 11 Ų | 11 | 38 Ų | 38 | 5% | 0.051 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -62.8 | 156 | 153.9 | -71.2 | -161.5 | -178.5 | 0 | 0 | 111.6 | H696 R718 L720 D724 I728 H729 A794 | H696-E726 WeakPolarHBondContact NE2-CA 3.33Å; R718-E726 HydrophobicContact CB-CG 4.47Å; R718-E726 WeakPolarHBondContact CB-OE1 3.43Å; R718-E726 WeakPolarHBondContact CG-OE1 3.46Å; L720-E726 HydrophobicContact CD2-CG 3.69Å; D724-E726 PolarHBondContact O-N 2.81Å; E726-I728 HydrophobicContact CB-CG1 4.07Å; E726-I728 PolarHBondContact O-N 3.07Å; E726-H729 PolarHBondContact N-ND1 3.27Å; E726-H729 WeakPolarHBondContact O-CB 3.48Å; E726-H729 PolarHBondContact O-N 3.49Å; E726-H729 PolarHBondContact O-ND1 2.82Å; E726-A794 HydrophobicContact CG-CB 4.36Å |
| 727 | A | 87.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -16.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | L695 H696 R717 A731 | L695-A727 HydrophobicContact CD2-CB 3.97Å; L695-A727 HydrophobicContact CG-CB 4.04Å; H696-A727 PolarHBondContact NE2-N 3.24Å; H696-A727 VanDerWaalsContact NE2-N 3.14Å; R717-A727 PolarHBondContact O-N 2.92Å; A727-A731 PolarHBondContact O-N 2.61Å; A727-A731 VanDerWaalsContact O-N 3.08Å |
| 728 | I | 89.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.4 | -31.9 | 171.4 | 55.3 | 171.8 | 0 | 0 | 0 | 113.1 | E726 A731 V732 L740 L743 S790 D791 A794 P802 | E726-I728 HydrophobicContact CB-CG1 4.07Å; E726-I728 PolarHBondContact O-N 3.07Å; I728-A731 PolarHBondContact O-N 2.7Å; I728-V732 WeakPolarHBondContact O-CG2 3.37Å; I728-V732 PolarHBondContact O-N 2.96Å; I728-L740 HydrophobicContact CB-CD1 4.17Å; I728-L740 HydrophobicContact CG2-CD1 4.12Å; I728-L743 HydrophobicContact CG2-CB 3.9Å; I728-L743 HydrophobicContact CG2-CD1 3.88Å; I728-S790 VanDerWaalsContact CG2-CB 3.43Å; I728-D791 WeakPolarHBondContact CD1-O 3.38Å; I728-A794 HydrophobicContact CD1-CB 4.03Å; I728-P802 HydrophobicContact CD1-CG 3.85Å; I728-P802 HydrophobicContact CG1-CG 4.18Å |
| 729 | H | 90.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -45.2 | 173 | -52.2 | 91.5 | 0 | 0 | 0 | 108.8 | N725 E726 A731 V732 Q733 L805 | N725-H729 HydrophobicContact CB-CB 3.88Å; E726-H729 PolarHBondContact N-ND1 3.27Å; E726-H729 WeakPolarHBondContact O-CB 3.48Å; E726-H729 PolarHBondContact O-N 3.49Å; E726-H729 PolarHBondContact O-ND1 2.82Å; H729-A731 VanDerWaalsContact C-N 3.27Å; H729-A731 PolarHBondContact O-N 3.22Å; H729-V732 PolarHBondContact O-N 2.89Å; H729-Q733 WeakPolarHBondContact O-CB 3.46Å; H729-Q733 PolarHBondContact O-N 3.12Å; H729-L805 HydrophobicContact CB-CD1 3.68Å |
| 730 | S | 89 | Confident | 87 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -35.1 | 174.6 | -43.8 | 0 | 0 | 0 | 0 | 113 | H696 S734 | H696-S730 PolarHBondContact CD2-OG 2.86Å; S730-S734 PolarHBondContact O-N 2.77Å; S730-S734 VanDerWaalsContact O-N 3.1Å |
| 731 | A | 90.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.2 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C699 A727 I728 H729 S734 G735 N736 I739 L743 | C699-A731 HydrophobicContact CB-CB 4.33Å; A727-A731 PolarHBondContact O-N 2.61Å; A727-A731 VanDerWaalsContact O-N 3.08Å; I728-A731 PolarHBondContact O-N 2.7Å; H729-A731 VanDerWaalsContact C-N 3.27Å; H729-A731 PolarHBondContact O-N 3.22Å; A731-S734 PolarHBondContact O-N 3.49Å; A731-S734 PolarHBondContact O-OG 3.01Å; A731-G735 PolarHBondContact O-N 2.82Å; A731-N736 PolarHBondContact O-N 3.33Å; A731-I739 HydrophobicContact CB-CB 4.28Å; A731-I739 HydrophobicContact CB-CG2 3.62Å; A731-L743 HydrophobicContact CB-CD1 3.73Å |
| 732 | V | 90.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69 | -39.2 | 174.2 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | I728 H729 S734 G735 L740 P802 L805 A806 M814 L818 | I728-V732 WeakPolarHBondContact O-CG2 3.37Å; I728-V732 PolarHBondContact O-N 2.96Å; H729-V732 PolarHBondContact O-N 2.89Å; V732-S734 VanDerWaalsContact C-N 3.28Å; V732-S734 PolarHBondContact O-N 3.46Å; V732-G735 PolarHBondContact O-N 3.4Å; V732-L740 HydrophobicContact CG2-CD1 4.11Å; V732-L740 HydrophobicContact CG2-CD2 4.11Å; V732-P802 WeakPolarHBondContact CG1-O 3.37Å; V732-P802 HydrophobicContact CG2-CB 4.06Å; V732-L805 HydrophobicContact CG1-CB 4.18Å; V732-A806 HydrophobicContact CG1-CB 3.84Å; V732-M814 HydrophobicContact CG1-CG 4.01Å; V732-M814 HydrophobicContact CG2-CG 4.3Å; V732-M814 HydrophobicContact CG2-SD 3.95Å; V732-L818 HydrophobicContact CG2-CD1 4.35Å; V732-L818 HydrophobicContact CG2-CD2 4.37Å |
| 733 | Q | 87.3 | Confident | 87 | Confident | 70 Ų | 70 | 28.1 Ų | 28.1 | 33% | 0.327 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -54.6 | -43.1 | 172.5 | -173.5 | 91.2 | -44.2 | 0 | 0 | 111 | H729 G735 R809 | H729-Q733 WeakPolarHBondContact O-CB 3.46Å; H729-Q733 PolarHBondContact O-N 3.12Å; Q733-G735 VanDerWaalsContact C-N 3.31Å; Q733-G735 PolarHBondContact O-N 2.84Å; Q733-R809 PolarHBondContact O-NE 2.81Å; Q733-R809 PolarHBondContact O-NH1 3.01Å; Q733-R809 VanDerWaalsContact OE1-CZ 3.22Å |
| 734 | S | 86 | Confident | 87 | Confident | 34 Ų | 34 | 28 Ų | 28 | 24% | 0.238 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -77.7 | -11 | 176.6 | 75.6 | 0 | 0 | 0 | 0 | 114.5 | C699 Q700 S730 A731 V732 N736 | C699-S734 VanDerWaalsContact O-CB 3.23Å; C699-S734 WeakPolarHBondContact O-CB 3.36Å; C699-S734 PolarHBondContact O-OG 2.95Å; Q700-S734 VanDerWaalsContact O-CB 3.22Å; Q700-S734 WeakPolarHBondContact O-CB 3.26Å; S730-S734 PolarHBondContact O-N 2.77Å; S730-S734 VanDerWaalsContact O-N 3.1Å; A731-S734 PolarHBondContact O-N 3.49Å; A731-S734 PolarHBondContact O-OG 3.01Å; V732-S734 VanDerWaalsContact C-N 3.28Å; V732-S734 PolarHBondContact O-N 3.46Å; S734-N736 VanDerWaalsContact C-N 3.27Å; S734-N736 WeakPolarHBondContact CB-ND2 3.4Å; S734-N736 PolarHBondContact O-N 3.04Å; S734-N736 PolarHBondContact O-ND2 2.98Å; S734-N736 PolarHBondContact OG-ND2 2.88Å |
| 735 | G | 87.4 | Confident | 86.8 | Confident | 24 Ų | 24 | 29.2 Ų | 29.2 | 25% | 0.247 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 4.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A731 V732 Q733 I737 M814 | A731-G735 PolarHBondContact O-N 2.82Å; V732-G735 PolarHBondContact O-N 3.4Å; Q733-G735 VanDerWaalsContact C-N 3.31Å; Q733-G735 PolarHBondContact O-N 2.84Å; G735-I737 PolarHBondContact O-N 3.16Å; G735-M814 VanDerWaalsContact O-CE 3.3Å; G735-M814 WeakPolarHBondContact O-CE 3.19Å |
| 736 | N | 87.1 | Confident | 85.8 | Confident | 63 Ų | 63 | 30.7 Ų | 30.7 | 34% | 0.337 | 16% | 0.157 | S | C | . | . | trans | -86.6 | 93.6 | -172.3 | -71.4 | -74.1 | 0 | 0 | 0 | 112.5 | G702 A731 S734 D738 I739 L740 | G702-N736 WeakPolarHBondContact CA-ND2 3.44Å; A731-N736 PolarHBondContact O-N 3.33Å; S734-N736 VanDerWaalsContact C-N 3.27Å; S734-N736 WeakPolarHBondContact CB-ND2 3.4Å; S734-N736 PolarHBondContact O-N 3.04Å; S734-N736 PolarHBondContact O-ND2 2.98Å; S734-N736 PolarHBondContact OG-ND2 2.88Å; N736-D738 VanDerWaalsContact C-N 3.27Å; N736-D738 PolarHBondContact O-N 3.37Å; N736-I739 HydrophobicContact CB-CB 4.15Å; N736-I739 HydrophobicContact CB-CD1 3.8Å; N736-I739 HydrophobicContact CB-CG1 3.93Å; N736-I739 PolarHBondContact O-N 3.05Å; N736-I739 VanDerWaalsContact O-N 3.13Å; N736-L740 PolarHBondContact O-N 3.5Å | ||
| 737 | I | 87.1 | Confident | 84.4 | Confident | 37 Ų | 37 | 31.5 Ų | 31.5 | 19% | 0.19 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.2 | -39.6 | -179.2 | -68.1 | 168.9 | 0 | 0 | 0 | 112.3 | G735 I739 L740 R741 P813 M814 C817 | G735-I737 PolarHBondContact O-N 3.16Å; I737-I739 PolarHBondContact O-N 3.5Å; I737-L740 WeakPolarHBondContact O-CB 3.49Å; I737-L740 PolarHBondContact O-N 3.37Å; I737-R741 HydrophobicContact CG2-CG 4.26Å; I737-R741 WeakPolarHBondContact O-CG 3.42Å; I737-R741 PolarHBondContact O-N 2.91Å; I737-P813 HydrophobicContact CD1-CB 3.97Å; I737-M814 HydrophobicContact CB-CE 4.47Å; I737-M814 HydrophobicContact CG1-CE 3.7Å; I737-M814 HydrophobicContact CG1-SD 4.03Å; I737-C817 HydrophobicContact CG2-CB 4.37Å |
| 738 | D | 85.7 | Confident | 82.8 | Confident | 90 Ų | 90 | 36 Ų | 36 | 48% | 0.481 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -72.3 | -28 | -177.7 | -64 | -46.5 | 0 | 0 | 0 | 113.5 | L704 N736 R741 I742 | L704-D738 HydrophobicContact CD1-CB 4.31Å; N736-D738 VanDerWaalsContact C-N 3.27Å; N736-D738 PolarHBondContact O-N 3.37Å; D738-R741 IonicContact OD1-CZ 3.79Å; D738-R741 IonicContact OD1-NH1 3.76Å; D738-R741 PolarHBondContact OD1-NH1 2.93Å; D738-I742 WeakPolarHBondContact O-CG1 3.44Å; D738-I742 PolarHBondContact O-N 3.01Å |
| 739 | I | 87.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -46.4 | 169.8 | -65 | -178.7 | 0 | 0 | 0 | 109.5 | C699 L704 V707 A731 N736 I737 R741 I742 L743 | C699-I739 HydrophobicContact CB-CG2 4.29Å; L704-I739 HydrophobicContact CD1-CG1 3.68Å; V707-I739 HydrophobicContact CG1-CG2 4.31Å; V707-I739 HydrophobicContact CG2-CD1 4.24Å; V707-I739 HydrophobicContact CG2-CG2 4.17Å; A731-I739 HydrophobicContact CB-CB 4.28Å; A731-I739 HydrophobicContact CB-CG2 3.62Å; N736-I739 HydrophobicContact CB-CB 4.15Å; N736-I739 HydrophobicContact CB-CD1 3.8Å; N736-I739 HydrophobicContact CB-CG1 3.93Å; N736-I739 PolarHBondContact O-N 3.05Å; N736-I739 VanDerWaalsContact O-N 3.13Å; I737-I739 PolarHBondContact O-N 3.5Å; I739-R741 PolarHBondContact O-N 3.02Å; I739-I742 PolarHBondContact O-N 3.49Å; I739-L743 HydrophobicContact CG2-CD1 3.98Å; I739-L743 HydrophobicContact CG2-CG 4.35Å; I739-L743 WeakPolarHBondContact O-CG 3.42Å; I739-L743 PolarHBondContact O-N 3.4Å |
| 740 | L | 86.8 | Confident | 79.7 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 176 | -176.9 | 68.6 | 0 | 0 | 0 | 111.4 | I728 V732 N736 I737 I742 L743 M744 M814 L818 M822 | I728-L740 HydrophobicContact CB-CD1 4.17Å; I728-L740 HydrophobicContact CG2-CD1 4.12Å; V732-L740 HydrophobicContact CG2-CD1 4.11Å; V732-L740 HydrophobicContact CG2-CD2 4.11Å; N736-L740 PolarHBondContact O-N 3.5Å; I737-L740 WeakPolarHBondContact O-CB 3.49Å; I737-L740 PolarHBondContact O-N 3.37Å; L740-I742 VanDerWaalsContact C-N 3.3Å; L740-I742 PolarHBondContact O-N 3.4Å; L740-L743 PolarHBondContact O-N 2.88Å; L740-M744 WeakPolarHBondContact O-CG 3.27Å; L740-M744 PolarHBondContact O-N 2.94Å; L740-M814 HydrophobicContact CD2-SD 3.64Å; L740-L818 HydrophobicContact CD2-CD2 3.66Å; L740-L818 HydrophobicContact CD2-CG 4.24Å; L740-M822 HydrophobicContact CD2-CE 4.04Å; L740-M822 HydrophobicContact CD2-SD 3.83Å; L740-M822 HydrophobicContact CG-CE 3.94Å; L740-M822 HydrophobicContact CG-SD 3.91Å |
| 741 | R | 86.4 | Confident | 78 | Confident | 80 Ų | 80 | 43.7 Ų | 43.7 | 30% | 0.302 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.8 | -35.5 | 175.7 | -73.3 | 171.1 | 172.4 | 158.5 | -4.9 | 112.8 | I737 D738 I739 R745 E821 M822 | I737-R741 HydrophobicContact CG2-CG 4.26Å; I737-R741 WeakPolarHBondContact O-CG 3.42Å; I737-R741 PolarHBondContact O-N 2.91Å; D738-R741 IonicContact OD1-CZ 3.79Å; D738-R741 IonicContact OD1-NH1 3.76Å; D738-R741 PolarHBondContact OD1-NH1 2.93Å; I739-R741 PolarHBondContact O-N 3.02Å; R741-R745 WeakPolarHBondContact O-CG 3.49Å; R741-R745 PolarHBondContact O-N 3.31Å; R741-E821 IonicContact CZ-OE1 2.7Å; R741-E821 IonicContact CZ-OE2 3.58Å; R741-E821 IonicContact NE-OE1 3.04Å; R741-E821 IonicContact NE-OE2 2.73Å; R741-E821 PolarHBondContact NE-OE2 3.47Å; R741-E821 IonicContact NH2-OE1 3.56Å; R741-E821 PolarHBondContact NH2-OE1 2.98Å; R741-E821 IonicContact NH2-OE2 3.5Å; R741-E821 PolarHBondContact NH2-OE2 2.91Å; R741-M822 HydrophobicContact CB-CE 4.36Å; R741-M822 HydrophobicContact CG-CE 3.67Å |
| 742 | I | 84.9 | Confident | 76.2 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.6 | -43.1 | 173.6 | -70.3 | -176.6 | 0 | 0 | 0 | 111.5 | L704 I708 L711 D738 I739 L740 M744 R745 I750 | L704-I742 HydrophobicContact CD1-CD1 3.69Å; L704-I742 HydrophobicContact CG-CD1 4.35Å; I708-I742 HydrophobicContact CD1-CD1 3.8Å; I708-I742 HydrophobicContact CG1-CD1 3.77Å; L711-I742 HydrophobicContact CD1-CG2 3.68Å; D738-I742 WeakPolarHBondContact O-CG1 3.44Å; D738-I742 PolarHBondContact O-N 3.01Å; I739-I742 PolarHBondContact O-N 3.49Å; L740-I742 VanDerWaalsContact C-N 3.3Å; L740-I742 PolarHBondContact O-N 3.4Å; I742-M744 PolarHBondContact O-N 3.42Å; I742-M744 VanDerWaalsContact O-N 3.16Å; I742-R745 PolarHBondContact O-N 3.5Å; I742-I750 HydrophobicContact CG2-CD1 3.97Å |
| 743 | L | 84.6 | Confident | 74 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -18.4 | 175.7 | -70.3 | 173.1 | 0 | 0 | 0 | 113.7 | L711 R717 I728 A731 I739 L740 S790 | L711-L743 HydrophobicContact CD1-CD2 4.3Å; L711-L743 HydrophobicContact CD2-CD2 4.48Å; R717-L743 HydrophobicContact CB-CD2 4.44Å; R717-L743 HydrophobicContact CG-CD2 4.16Å; R717-L743 PolarHBondContact NH1-O 3.47Å; I728-L743 HydrophobicContact CG2-CB 3.9Å; I728-L743 HydrophobicContact CG2-CD1 3.88Å; A731-L743 HydrophobicContact CB-CD1 3.73Å; I739-L743 HydrophobicContact CG2-CD1 3.98Å; I739-L743 HydrophobicContact CG2-CG 4.35Å; I739-L743 WeakPolarHBondContact O-CG 3.42Å; I739-L743 PolarHBondContact O-N 3.4Å; L740-L743 PolarHBondContact O-N 2.88Å; L743-S790 PolarHBondContact O-OG 3.09Å |
| 744 | M | 82.5 | Confident | 71.9 | Confident | 45 Ų | 45 | 53.9 Ų | 53.9 | 22% | 0.222 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -97.4 | -9.9 | 173.6 | -63.6 | -58.3 | -72.3 | 0 | 0 | 114.5 | L740 I742 I789 I792 M822 | L740-M744 WeakPolarHBondContact O-CG 3.27Å; L740-M744 PolarHBondContact O-N 2.94Å; I742-M744 PolarHBondContact O-N 3.42Å; I742-M744 VanDerWaalsContact O-N 3.16Å; M744-I789 VanDerWaalsContact O-CG2 3.29Å; M744-I789 WeakPolarHBondContact O-CG2 3.36Å; M744-I789 HydrophobicContact SD-CG2 4.39Å; M744-I792 HydrophobicContact CE-CB 4.04Å; M744-I792 HydrophobicContact CE-CG2 4.5Å; M744-M822 HydrophobicContact CB-SD 4.47Å; M744-M822 HydrophobicContact CG-CE 4.39Å; M744-M822 HydrophobicContact CG-SD 3.82Å |
| 745 | R | 78.1 | Confident | 69.7 | Low | 110 Ų | 110 | 57.2 Ų | 57.2 | 42% | 0.415 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -80.7 | 137.6 | 175.7 | -80.1 | 170.8 | -171 | 176.8 | 6.2 | 112 | R717 R741 I742 I750 | R717-R745 VanDerWaalsContact CZ-O 3.27Å; R717-R745 PolarHBondContact NH1-O 3.48Å; R717-R745 PolarHBondContact NH2-O 3.21Å; R741-R745 WeakPolarHBondContact O-CG 3.49Å; R741-R745 PolarHBondContact O-N 3.31Å; I742-R745 PolarHBondContact O-N 3.5Å; R745-I750 HydrophobicContact CB-CG1 4.43Å |
| 746 | P | 64.7 | Low | 67.1 | Low | 49 Ų | 49 | 61.7 Ų | 61.7 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | trans | -55.9 | 143.5 | 172.3 | -22.8 | 33.4 | 0 | 0 | 0 | 111.8 | T748 D749 I789 | P746-T748 PolarHBondContact O-N 3.19Å; P746-D749 PolarHBondContact O-N 2.94Å; P746-I789 HydrophobicContact CG-CD1 4.15Å | ||
| 747 | H | 58.7 | Low | 64.7 | Low | 28 Ų | 28 | 64.8 Ų | 64.8 | 13% | 0.13 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.7 | -31.5 | -179.4 | -72.5 | 110.5 | 0 | 0 | 0 | 113.6 | R717 D749 I750 T751 F784 E788 | R717-H747 PolarHBondContact NE-CE1 2.92Å; R717-H747 VanDerWaalsContact NE-CE1 3.32Å; R717-H747 PolarHBondContact NE-NE2 2.96Å; R717-H747 PolarHBondContact NH2-CD2 3.29Å; R717-H747 PolarHBondContact NH2-CE1 3.08Å; R717-H747 PolarHBondContact NH2-NE2 2.93Å; H747-D749 VanDerWaalsContact C-N 3.28Å; H747-D749 PolarHBondContact O-N 2.9Å; H747-I750 PolarHBondContact O-N 2.87Å; H747-I750 VanDerWaalsContact O-N 3.15Å; H747-T751 PolarHBondContact O-N 2.91Å; H747-F784 HydrophobicContact CB-CE1 4.45Å; H747-E788 PolarHBondContact CE1-O 3.22Å; H747-E788 IonicContact CE1-OE2 2.71Å |
| 748 | T | 53.8 | Low | 62.1 | Low | 94 Ų | 94 | 67.1 Ų | 67.1 | 58% | 0.577 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.7 | -27.9 | 176.1 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | P746 S752 | P746-T748 PolarHBondContact O-N 3.19Å; T748-S752 WeakPolarHBondContact O-CB 3.36Å; T748-S752 PolarHBondContact O-N 3.2Å; T748-S752 PolarHBondContact O-OG 2.7Å |
| 749 | D | 57 | Low | 59.6 | Low | 74 Ų | 74 | 69.3 Ų | 69.3 | 40% | 0.396 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -87.5 | -14.7 | 178.3 | -70.7 | 4.7 | 0 | 0 | 0 | 111.8 | P746 H747 S752 | P746-D749 PolarHBondContact O-N 2.94Å; H747-D749 VanDerWaalsContact C-N 3.28Å; H747-D749 PolarHBondContact O-N 2.9Å; D749-S752 WeakPolarHBondContact CA-OG 3.5Å |
| 750 | I | 58 | Low | 56.9 | Low | 15 Ų | 15 | 75.2 Ų | 75.2 | 8% | 0.077 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -81.2 | -51 | 175.9 | -58 | 178.5 | 0 | 0 | 0 | 109.3 | L711 I742 R745 H747 L754 | L711-I750 HydrophobicContact CD1-CD1 4.08Å; I742-I750 HydrophobicContact CG2-CD1 3.97Å; R745-I750 HydrophobicContact CB-CG1 4.43Å; H747-I750 PolarHBondContact O-N 2.87Å; H747-I750 VanDerWaalsContact O-N 3.15Å; I750-L754 HydrophobicContact CG2-CD1 3.92Å; I750-L754 WeakPolarHBondContact O-CD1 3.48Å; I750-L754 PolarHBondContact O-N 2.73Å |
| 751 | T | 53.8 | Low | 54.3 | Low | 79 Ų | 79 | 82.8 Ų | 82.8 | 49% | 0.485 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 179.6 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | H747 R753 L754 | H747-T751 PolarHBondContact O-N 2.91Å; T751-R753 PolarHBondContact O-N 2.8Å; T751-L754 PolarHBondContact O-N 2.75Å |
| 752 | S | 51.3 | Low | 51.7 | Low | 66 Ų | 66 | 86.4 Ų | 86.4 | 46% | 0.462 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.1 | -22 | -176 | 54.8 | 0 | 0 | 0 | 0 | 115.1 | T748 D749 | T748-S752 WeakPolarHBondContact O-CB 3.36Å; T748-S752 PolarHBondContact O-N 3.2Å; T748-S752 PolarHBondContact O-OG 2.7Å; D749-S752 WeakPolarHBondContact CA-OG 3.5Å |
| 753 | R | 44.9 | Very low | 49.1 | Very low | 164 Ų | 164 | 91.7 Ų | 91.7 | 62% | 0.619 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -92.5 | -19.3 | 175.4 | -64.1 | -168.9 | 77.6 | 160.8 | 3.1 | 113.7 | T751 V755 N756 I757 | T751-R753 PolarHBondContact O-N 2.8Å; R753-V755 VanDerWaalsContact C-N 3.28Å; R753-V755 PolarHBondContact O-N 3.03Å; R753-N756 PolarHBondContact O-N 2.91Å; R753-I757 WeakPolarHBondContact O-CD1 3.27Å; R753-I757 WeakPolarHBondContact O-CG1 3.42Å |
| 754 | L | 43.5 | Very low | 46.6 | Very low | 54 Ų | 54 | 98 Ų | 98 | 28% | 0.283 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -79.6 | -7.7 | 178.3 | -76.3 | 159.2 | 0 | 0 | 0 | 114.1 | I708 Q712 I750 T751 N756 | I708-L754 HydrophobicContact CG2-CD1 3.39Å; I708-L754 HydrophobicContact CG2-CD2 4.13Å; I708-L754 HydrophobicContact CG2-CG 4.42Å; Q712-L754 HydrophobicContact CG-CD1 4.17Å; I750-L754 HydrophobicContact CG2-CD1 3.92Å; I750-L754 WeakPolarHBondContact O-CD1 3.48Å; I750-L754 PolarHBondContact O-N 2.73Å; T751-L754 PolarHBondContact O-N 2.75Å; L754-N756 VanDerWaalsContact C-N 3.28Å |
| 755 | V | 40.3 | Very low | 43.8 | Very low | 105 Ų | 105 | 105.1 Ų | 105.1 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -17.8 | 167.1 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | R753 S758 | R753-V755 VanDerWaalsContact C-N 3.28Å; R753-V755 PolarHBondContact O-N 3.03Å; V755-S758 PolarHBondContact O-OG 3.39Å |
| 756 | N | 33.2 | Very low | 41.4 | Very low | 117 Ų | 117 | 102.8 Ų | 102.8 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 25.2 | -173.5 | -65.5 | 47.8 | 0 | 0 | 0 | 112.6 | R753 L754 | R753-N756 PolarHBondContact O-N 2.91Å; L754-N756 VanDerWaalsContact C-N 3.28Å |
| 757 | I | 35.5 | Very low | 39.7 | Very low | 128 Ų | 128 | 108 Ų | 108 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -135.8 | 39.9 | 175.9 | -47.3 | 166 | 0 | 0 | 0 | 108.5 | R753 | R753-I757 WeakPolarHBondContact O-CD1 3.27Å; R753-I757 WeakPolarHBondContact O-CG1 3.42Å |
| 758 | S | 32.2 | Very low | 38.1 | Very low | 87 Ų | 87 | 114.1 Ų | 114.1 | 61% | 0.608 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -136.1 | 14.3 | -169.9 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | V755 | V755-S758 PolarHBondContact O-OG 3.39Š|
| 759 | E | 33 | Very low | 37.1 | Very low | 135 Ų | 135 | 115 Ų | 115 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -127.4 | -4.9 | 179.7 | -23.4 | 167.8 | 96.3 | 0 | 0 | 113.3 | Y579 | Y579-E759 HydrophobicContact CE1-CB 3.84Å; Y579-E759 WeakPolarHBondContact CE2-OE2 3.39Å; Y579-E759 WeakPolarHBondContact OH-CB 3.35Å; Y579-E759 VanDerWaalsContact OH-CD 3.28Å; Y579-E759 VanDerWaalsContact OH-CG 3.27Å; Y579-E759 WeakPolarHBondContact OH-CG 3.42Å; Y579-E759 PolarHBondContact OH-OE2 3.04Å |
| 760 | E | 32.2 | Very low | 35.8 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 59% | 0.593 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -103.8 | 75.9 | 163.7 | -63.8 | -152.6 | 148.5 | 0 | 0 | 110.9 | Y579 T580 | Y579-E760 HydrophobicContact CD1-CG 3.52Å; Y579-E760 HydrophobicContact CE1-CB 4.41Å; Y579-E760 HydrophobicContact CE1-CG 3.28Å; T580-E760 PolarHBondContact N-OE1 3.27Å |
| 761 | N | 31.9 | Very low | 34.8 | Very low | 160 Ų | 160 | 124.8 Ų | 124.8 | 86% | 0.856 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 171.9 | 127.7 | 139 | -96.4 | -76.7 | 0 | 0 | 0 | 109.1 | ||
| 762 | D | 30.8 | Very low | 33.8 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | trans | -66.5 | 175.5 | -172.1 | -67 | -77.9 | 0 | 0 | 0 | 116.2 | ||||
| 763 | V | 30.6 | Very low | 32.8 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | trans | 109.6 | 103.5 | 155 | -176.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 764 | V | 32.3 | Very low | 32.1 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | 81.4 | 86.5 | 169.2 | -172.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 765 | E | 25 | Very low | 31.3 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | trans | -56.3 | 149.1 | 140.8 | -61 | 173.4 | 100.4 | 0 | 0 | 110.5 | ||||
| 766 | G | 27.1 | Very low | 30.9 | Very low | 61 Ų | 61 | 134.1 Ų | 134.1 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | 173 | 123.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 767 | N | 28.5 | Very low | 30.5 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | 65.7 | 75.1 | 163.6 | -54.6 | -19.2 | 0 | 0 | 0 | 116.7 | ||||
| 768 | L | 25.5 | Very low | 30.3 | Very low | 155 Ų | 155 | 132 Ų | 132 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | -15.4 | 127.6 | 119.6 | -70.9 | 157.9 | 0 | 0 | 0 | 113.8 | |||||
| 769 | V | 32.5 | Very low | 30.2 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | -142.7 | 110.4 | 142.3 | -164.9 | 0 | 0 | 0 | 0 | 107.5 | L771 | V769-L771 HydrophobicContact CG1-CD1 4.39Å; V769-L771 HydrophobicContact CG1-CD2 4.23Å; V769-L771 HydrophobicContact CG1-CG 3.92Å; V769-L771 PolarHBondContact O-N 2.9Å | ||
| 770 | D | 29.6 | Very low | 30.1 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -67.8 | 126.3 | 164.7 | -59.9 | -70.9 | 0 | 0 | 0 | 108.5 | ||||
| 771 | L | 36.5 | Very low | 30 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -134.8 | 116.5 | 172.2 | -73.9 | 178.2 | 0 | 0 | 0 | 110.1 | V769 | V769-L771 HydrophobicContact CG1-CD1 4.39Å; V769-L771 HydrophobicContact CG1-CD2 4.23Å; V769-L771 HydrophobicContact CG1-CG 3.92Å; V769-L771 PolarHBondContact O-N 2.9Å | ||
| 772 | D | 33.1 | Very low | 30 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | -70.6 | 152.4 | -167.8 | -50.9 | -75.3 | 0 | 0 | 0 | 115 | N774 | D772-N774 PolarHBondContact O-N 2.98Š| ||
| 773 | D | 31.5 | Very low | 30 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | 23.9 | 71.2 | 143.9 | -79.7 | -16.2 | 0 | 0 | 0 | 118 | ||||
| 774 | N | 29.1 | Very low | 30.4 | Very low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | trans | -139.1 | 87.4 | 156.7 | -88.4 | -72.7 | 0 | 0 | 0 | 113.4 | D772 | D772-N774 PolarHBondContact O-N 2.98Š| ||
| 775 | S | 26.9 | Very low | 30.6 | Very low | 87 Ų | 87 | 129.4 Ų | 129.4 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | trans | -18 | 131.4 | 148.4 | 178.2 | 0 | 0 | 0 | 0 | 114.6 | T777 | S775-T777 PolarHBondContact OG-N 3.49Š| ||
| 776 | P | 32.1 | Very low | 31.3 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 79% | 0.792 | 69% | 0.688 | S | S | * | * | -112.9 | 109.1 | 96.5 | 31.2 | -34.2 | 0 | 0 | 0 | 113.2 | N778 | P776-N778 PolarHBondContact O-N 3.17Š| |||
| 777 | T | 25.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 72% | 0.718 | 66% | 0.661 | S | S | * | * | trans | -46.1 | 108.4 | 161.5 | 44.1 | 0 | 0 | 0 | 0 | 111 | S775 | S775-T777 PolarHBondContact OG-N 3.49Š| ||
| 778 | N | 30 | Very low | 33.6 | Very low | 85 Ų | 85 | 118 Ų | 118 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | trans | -144.1 | 65.6 | 162.1 | -159.3 | 1.5 | 0 | 0 | 0 | 111.2 | P776 N780 N781 | P776-N778 PolarHBondContact O-N 3.17Å; N778-N780 PolarHBondContact O-N 2.92Å; N778-N781 PolarHBondContact ND2-ND2 2.89Å; N778-N781 PolarHBondContact O-N 3.37Å | ||
| 779 | E | 31.3 | Very low | 35.7 | Very low | 188 Ų | 188 | 112.5 Ų | 112.5 | 88% | 0.879 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 3.6 | 178 | -60 | -177.5 | 120 | 0 | 0 | 113.9 | ||
| 780 | N | 30.2 | Very low | 37.5 | Very low | 139 Ų | 139 | 107 Ų | 107 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -15.9 | -179.5 | -63.9 | -46.3 | 0 | 0 | 0 | 114.5 | N778 | N778-N780 PolarHBondContact O-N 2.92Š|
| 781 | N | 31.1 | Very low | 39.9 | Very low | 124 Ų | 124 | 101 Ų | 101 | 66% | 0.663 | 54% | 0.541 | S | S | * | . | trans | -91.6 | -5.3 | -165.8 | -89.6 | 14.4 | 0 | 0 | 0 | 116.5 | N778 R783 | N778-N781 PolarHBondContact ND2-ND2 2.89Å; N778-N781 PolarHBondContact O-N 3.37Å; N781-R783 PolarHBondContact O-N 3.37Å | ||
| 782 | N | 32 | Very low | 42.2 | Very low | 142 Ų | 142 | 94.1 Ų | 94.1 | 76% | 0.759 | 51% | 0.505 | S | S | * | . | trans | -96.7 | 36.9 | -177.2 | -90.7 | -24.7 | 0 | 0 | 0 | 115.2 | F784 | N782-F784 PolarHBondContact O-N 3.37Š| ||
| 783 | R | 30.4 | Very low | 44.7 | Very low | 115 Ų | 115 | 88.5 Ų | 88.5 | 43% | 0.434 | 48% | 0.475 | S | S | . | . | trans | -73.4 | 66.2 | 151.3 | -81.3 | 178.4 | 97.8 | 150 | 0.8 | 109.8 | T336 R337 D340 N781 D785 | T336-R783 PolarHBondContact O-NH2 3.11Å; R337-R783 HydrophobicContact CB-CB 4.39Å; R337-R783 HydrophobicContact CG-CB 4.49Å; D340-R783 IonicContact OD2-CZ 2.76Å; D340-R783 IonicContact OD2-NH1 3.84Å; D340-R783 PolarHBondContact OD2-NH1 3Å; D340-R783 IonicContact OD2-NH2 3.44Å; D340-R783 PolarHBondContact OD2-NH2 3.25Å; N781-R783 PolarHBondContact O-N 3.37Å; R783-D785 PolarHBondContact O-N 2.92Å | ||
| 784 | F | 38.3 | Very low | 47.2 | Very low | 130 Ų | 130 | 80.9 Ų | 80.9 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | trans | -43.6 | 135.4 | 150.8 | -100.9 | -85.6 | 0 | 0 | 0 | 108.1 | R337 H747 N782 | R337-F784 WeakPolarHBondContact CD-O 3.39Å; R337-F784 VanDerWaalsContact CZ-O 3.23Å; R337-F784 PolarHBondContact NE-O 3.29Å; R337-F784 PolarHBondContact NH1-O 3.49Å; H747-F784 HydrophobicContact CB-CE1 4.45Å; N782-F784 PolarHBondContact O-N 3.37Å | ||
| 785 | D | 37.2 | Very low | 50 | Low | 37 Ų | 37 | 75.4 Ų | 75.4 | 20% | 0.198 | 40% | 0.402 | C | S | . | . | trans | -101 | 132.4 | 177 | -145.8 | -25.4 | 0 | 0 | 0 | 113.7 | R337 R783 Q787 | R337-D785 VanDerWaalsContact CB-OD2 3.23Å; R337-D785 WeakPolarHBondContact CB-OD2 3.44Å; R337-D785 VanDerWaalsContact CD-CG 3.43Å; R337-D785 WeakPolarHBondContact CD-OD1 3.44Å; R337-D785 HydrophobicContact CG-CB 4.46Å; R337-D785 VanDerWaalsContact CG-OD2 3.32Å; R337-D785 WeakPolarHBondContact CG-OD2 3.34Å; R337-D785 IonicContact CZ-OD1 3.86Å; R337-D785 PolarHBondContact N-OD2 3.23Å; R337-D785 IonicContact NE-OD1 3.04Å; R337-D785 PolarHBondContact NE-OD1 2.84Å; R337-D785 IonicContact NE-OD2 2.67Å; R337-D785 IonicContact NH2-OD1 3.19Å; R337-D785 PolarHBondContact NH2-OD1 2.85Å; R783-D785 PolarHBondContact O-N 2.92Å; D785-Q787 HydrophobicContact CB-CB 4.37Å; D785-Q787 PolarHBondContact O-N 3.49Å; D785-Q787 VanDerWaalsContact OD1-CG 3.31Å; D785-Q787 WeakPolarHBondContact OD1-CG 3.47Å; D785-Q787 PolarHBondContact OD1-OE1 3.46Å; D785-Q787 PolarHBondContact OD2-OE1 3.32Å | ||
| 786 | S | 38.3 | Very low | 52.9 | Low | 95 Ų | 95 | 72 Ų | 72 | 66% | 0.664 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 28.1 | 173.6 | -51.2 | 0 | 0 | 0 | 0 | 111.8 | R337 | R337-S786 PolarHBondContact NH2-OG 3.22Š|
| 787 | Q | 48.5 | Very low | 55.5 | Low | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.056 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -14.7 | -173.1 | -63.9 | -176.9 | -75.2 | 0 | 0 | 111.5 | R332 R333 T336 D785 I789 | R332-Q787 PolarHBondContact O-NE2 2.98Å; R333-Q787 VanDerWaalsContact CA-NE2 3.32Å; R333-Q787 HydrophobicContact CB-CB 3.98Å; R333-Q787 HydrophobicContact CG-CB 4.32Å; R333-Q787 PolarHBondContact NH1-O 2.92Å; R333-Q787 VanDerWaalsContact O-CB 3.29Å; R333-Q787 WeakPolarHBondContact O-CB 3.49Å; T336-Q787 PolarHBondContact OG1-NE2 3.07Å; T336-Q787 PolarHBondContact OG1-OE1 3.04Å; D785-Q787 HydrophobicContact CB-CB 4.37Å; D785-Q787 PolarHBondContact O-N 3.49Å; D785-Q787 VanDerWaalsContact OD1-CG 3.31Å; D785-Q787 WeakPolarHBondContact OD1-CG 3.47Å; D785-Q787 PolarHBondContact OD1-OE1 3.46Å; D785-Q787 PolarHBondContact OD2-OE1 3.32Å; Q787-I789 PolarHBondContact O-N 2.94Å |
| 788 | E | 57.2 | Low | 58.5 | Low | 67 Ų | 67 | 67.9 Ų | 67.9 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | trans | -82 | 51.6 | 173.9 | -61.2 | -164.4 | 137.1 | 0 | 0 | 114.1 | H747 | H747-E788 PolarHBondContact CE1-O 3.22Å; H747-E788 IonicContact CE1-OE2 2.71Å | ||
| 789 | I | 67.7 | Low | 61.1 | Low | 40 Ų | 40 | 68.7 Ų | 68.7 | 21% | 0.205 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -102 | 138.5 | 154.8 | -46.1 | 172 | 0 | 0 | 0 | 105.2 | R333 M744 P746 Q787 | R333-I789 PolarHBondContact NH1-O 3.31Å; M744-I789 VanDerWaalsContact O-CG2 3.29Å; M744-I789 WeakPolarHBondContact O-CG2 3.36Å; M744-I789 HydrophobicContact SD-CG2 4.39Å; P746-I789 HydrophobicContact CG-CD1 4.15Å; Q787-I789 PolarHBondContact O-N 2.94Å |
| 790 | S | 71.6 | Confident | 63.8 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -57.1 | 155.2 | 170.6 | -47.5 | 0 | 0 | 0 | 0 | 110.4 | R717 I728 L743 | R717-S790 VanDerWaalsContact CB-OG 3.26Å; R717-S790 WeakPolarHBondContact CB-OG 3.33Å; I728-S790 VanDerWaalsContact CG2-CB 3.43Å; L743-S790 PolarHBondContact O-OG 3.09Å | ||
| 791 | D | 79.3 | Confident | 66.7 | Low | 10 Ų | 10 | 54.6 Ų | 54.6 | 5% | 0.053 | 28% | 0.278 | C | S | . | . | trans | -104.6 | 117 | 174.8 | -168.6 | -35.3 | 0 | 0 | 0 | 109.2 | H326 E329 I728 N793 A794 | H326-D791 VanDerWaalsContact CD2-CG 3.43Å; H326-D791 IonicContact CD2-OD1 3.96Å; H326-D791 IonicContact CD2-OD2 2.91Å; H326-D791 WeakPolarHBondContact NE2-CB 3.04Å; E329-D791 WeakPolarHBondContact CB-OD2 3.1Å; I728-D791 WeakPolarHBondContact CD1-O 3.38Å; D791-N793 PolarHBondContact O-N 3.18Å; D791-N793 PolarHBondContact OD1-N 2.8Å; D791-N793 PolarHBondContact OD1-ND2 2.77Å; D791-A794 VanDerWaalsContact O-CB 3.31Å; D791-A794 WeakPolarHBondContact O-CB 3.29Å; D791-A794 PolarHBondContact O-N 3.06Å | ||
| 792 | I | 84.4 | Confident | 69.6 | Low | 12 Ų | 12 | 48.8 Ų | 48.8 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -19 | -179.1 | -172.8 | 163.1 | 0 | 0 | 0 | 113.9 | M744 P802 L818 M822 A824 | M744-I792 HydrophobicContact CE-CB 4.04Å; M744-I792 HydrophobicContact CE-CG2 4.5Å; I792-P802 WeakPolarHBondContact O-CD 3.48Å; I792-P802 WeakPolarHBondContact O-CG 3.48Å; I792-L818 HydrophobicContact CD1-CB 4.45Å; I792-L818 HydrophobicContact CD1-CD2 3.54Å; I792-L818 HydrophobicContact CG1-CD2 3.82Å; I792-M822 HydrophobicContact CD1-CB 3.23Å; I792-M822 HydrophobicContact CD1-CG 4.24Å; I792-M822 HydrophobicContact CD1-SD 4.13Å; I792-A824 HydrophobicContact CD1-CB 3.89Å; I792-A824 HydrophobicContact CG1-CB 4.02Å |
| 793 | N | 86.1 | Confident | 72.5 | Confident | 21 Ų | 21 | 42 Ų | 42 | 11% | 0.112 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 18.6 | 178.5 | -55.3 | -71.4 | 0 | 0 | 0 | 113.1 | H326 D791 L825 L828 | H326-N793 WeakPolarHBondContact CB-O 3.49Å; H326-N793 PolarHBondContact CD2-O 2.81Å; D791-N793 PolarHBondContact O-N 3.18Å; D791-N793 PolarHBondContact OD1-N 2.8Å; D791-N793 PolarHBondContact OD1-ND2 2.77Å; N793-L825 HydrophobicContact CB-CD1 4.49Å; N793-L825 WeakPolarHBondContact OD1-CB 3.25Å; N793-L825 WeakPolarHBondContact OD1-CG 3.49Å; N793-L825 PolarHBondContact OD1-N 3.1Å; N793-L828 HydrophobicContact CB-CD1 3.78Å |
| 794 | A | 85.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | trans | -54.1 | 158.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | H326 E726 I728 D791 T801 P802 | H326-A794 PolarHBondContact CD2-N 2.79Å; H326-A794 WeakPolarHBondContact NE2-CA 3.12Å; E726-A794 HydrophobicContact CG-CB 4.36Å; I728-A794 HydrophobicContact CD1-CB 4.03Å; D791-A794 VanDerWaalsContact O-CB 3.31Å; D791-A794 WeakPolarHBondContact O-CB 3.29Å; D791-A794 PolarHBondContact O-N 3.06Å; A794-T801 VanDerWaalsContact O-CA 3.27Å; A794-T801 WeakPolarHBondContact O-CA 3.46Å; A794-P802 VanDerWaalsContact O-CD 3.32Å; A794-P802 WeakPolarHBondContact O-CD 3.48Å | ||
| 795 | R | 87.3 | Confident | 78 | Confident | 39 Ų | 39 | 31.2 Ų | 31.2 | 15% | 0.147 | 17% | 0.168 | C | C | . | . | trans | -137 | 125.7 | -174.5 | -70.8 | 178.7 | 165.7 | -121.1 | 7.7 | 108.9 | N324 R799 Q800 T801 Q829 | N324-R795 WeakPolarHBondContact OD1-CD 3.4Å; N324-R795 PolarHBondContact OD1-NE 3.05Å; N324-R795 VanDerWaalsContact OD1-NE 3.13Å; N324-R795 PolarHBondContact OD1-NH1 3.24Å; R795-R799 VanDerWaalsContact CG-O 3.31Å; R795-R799 WeakPolarHBondContact CG-O 3.47Å; R795-R799 PolarHBondContact NH1-O 3.44Å; R795-Q800 WeakPolarHBondContact CA-O 3.38Å; R795-T801 HydrophobicContact CG-CG2 4.02Å; R795-Q829 PolarHBondContact NH1-O 3.38Å; R795-Q829 PolarHBondContact NH2-O 3.13Å | ||
| 796 | N | 87.6 | Confident | 80.6 | Confident | 17 Ų | 17 | 29.5 Ų | 29.5 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | trans | -80.6 | -169.6 | 176 | 70.7 | 6.1 | 0 | 0 | 0 | 112 | N725 L798 R799 Q800 | N725-N796 WeakPolarHBondContact OD1-CB 3.47Å; N725-N796 PolarHBondContact OD1-ND2 3.05Å; N796-L798 PolarHBondContact O-N 2.91Å; N796-L798 WeakPolarHBondContact OD1-CA 3.31Å; N796-L798 WeakPolarHBondContact OD1-CB 3.45Å; N796-L798 PolarHBondContact OD1-N 3.49Å; N796-R799 VanDerWaalsContact O-CA 3.31Å; N796-R799 WeakPolarHBondContact O-CA 3.37Å; N796-R799 PolarHBondContact O-N 2.9Å; N796-R799 PolarHBondContact OD1-N 2.7Å; N796-Q800 PolarHBondContact N-O 3.2Å; N796-Q800 PolarHBondContact OD1-N 3.36Å; N796-Q800 VanDerWaalsContact OD1-N 3.11Å | ||
| 797 | A | 86.6 | Confident | 83.2 | Confident | 59 Ų | 59 | 25 Ų | 25 | 49% | 0.488 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S723 D724 R799 | S723-A797 VanDerWaalsContact O-CB 3.29Å; S723-A797 WeakPolarHBondContact O-CB 3.18Å; S723-A797 PolarHBondContact O-N 2.93Å; D724-A797 HydrophobicContact CB-CB 4.21Å; A797-R799 PolarHBondContact O-N 2.91Å |
| 798 | L | 87.3 | Confident | 85.2 | Confident | 93 Ų | 93 | 28.2 Ų | 28.2 | 49% | 0.487 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 10.8 | 172.2 | -59.1 | 179.7 | 0 | 0 | 0 | 112.5 | N796 Q800 C831 | N796-L798 PolarHBondContact O-N 2.91Å; N796-L798 WeakPolarHBondContact OD1-CA 3.31Å; N796-L798 WeakPolarHBondContact OD1-CB 3.45Å; N796-L798 PolarHBondContact OD1-N 3.49Å; L798-Q800 HydrophobicContact CB-CG 4Å; L798-Q800 PolarHBondContact O-N 3.25Å; L798-C831 VanDerWaalsContact O-CB 3.3Å; L798-C831 WeakPolarHBondContact O-CB 3.19Å; L798-C831 PolarHBondContact O-N 2.98Å; L798-C831 PolarHBondContact O-SG 2.82Å |
| 799 | R | 85.2 | Confident | 86.8 | Confident | 101 Ų | 101 | 31.2 Ų | 31.2 | 38% | 0.381 | 15% | 0.153 | S | C | . | . | trans | 57.9 | 4.2 | -173.6 | -69.3 | 176.1 | 164.1 | -133.4 | -5.6 | 115.4 | R795 N796 A797 D830 | R795-R799 VanDerWaalsContact CG-O 3.31Å; R795-R799 WeakPolarHBondContact CG-O 3.47Å; R795-R799 PolarHBondContact NH1-O 3.44Å; N796-R799 VanDerWaalsContact O-CA 3.31Å; N796-R799 WeakPolarHBondContact O-CA 3.37Å; N796-R799 PolarHBondContact O-N 2.9Å; N796-R799 PolarHBondContact OD1-N 2.7Å; A797-R799 PolarHBondContact O-N 2.91Å; R799-D830 VanDerWaalsContact CB-C 3.45Å; R799-D830 WeakPolarHBondContact CB-O 3.45Å; R799-D830 WeakPolarHBondContact CD-O 3.27Å | ||
| 800 | Q | 89.4 | Confident | 87.8 | Confident | 31 Ų | 31 | 33.9 Ų | 33.9 | 15% | 0.145 | 17% | 0.165 | C | C | . | . | trans | -69.3 | 139 | -179 | -70.6 | 177.8 | -19 | 0 | 0 | 110.6 | R795 N796 L798 H804 D830 | R795-Q800 WeakPolarHBondContact CA-O 3.38Å; N796-Q800 PolarHBondContact N-O 3.2Å; N796-Q800 PolarHBondContact OD1-N 3.36Å; N796-Q800 VanDerWaalsContact OD1-N 3.11Å; L798-Q800 HydrophobicContact CB-CG 4Å; L798-Q800 PolarHBondContact O-N 3.25Å; Q800-H804 HydrophobicContact CB-CB 4.01Å; Q800-H804 HydrophobicContact CG-CB 4.25Å; Q800-D830 HydrophobicContact CG-CB 3.79Å | ||
| 801 | T | 90.8 | Very high | 88.7 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | trans | -90.3 | 163.6 | 174.1 | 73.4 | 0 | 0 | 0 | 0 | 111.4 | A794 R795 L803 H804 L805 L828 | A794-T801 VanDerWaalsContact O-CA 3.27Å; A794-T801 WeakPolarHBondContact O-CA 3.46Å; R795-T801 HydrophobicContact CG-CG2 4.02Å; T801-L803 PolarHBondContact O-N 2.89Å; T801-L803 PolarHBondContact OG1-N 3.15Å; T801-H804 PolarHBondContact N-ND1 2.98Å; T801-H804 VanDerWaalsContact N-ND1 3.1Å; T801-H804 WeakPolarHBondContact O-CB 3.37Å; T801-H804 PolarHBondContact O-N 3.15Å; T801-H804 PolarHBondContact OG1-ND1 2.62Å; T801-L805 PolarHBondContact O-N 3.34Å; T801-L805 VanDerWaalsContact O-N 3.13Å; T801-L828 HydrophobicContact CG2-CB 4.03Å; T801-L828 HydrophobicContact CG2-CD1 3.82Å | ||
| 802 | P | 90.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -49.1 | -30.6 | 169.2 | -29.8 | 35.6 | 0 | 0 | 0 | 114 | I728 V732 I792 A794 L805 A806 L818 | I728-P802 HydrophobicContact CD1-CG 3.85Å; I728-P802 HydrophobicContact CG1-CG 4.18Å; V732-P802 WeakPolarHBondContact CG1-O 3.37Å; V732-P802 HydrophobicContact CG2-CB 4.06Å; I792-P802 WeakPolarHBondContact O-CD 3.48Å; I792-P802 WeakPolarHBondContact O-CG 3.48Å; A794-P802 VanDerWaalsContact O-CD 3.32Å; A794-P802 WeakPolarHBondContact O-CD 3.48Å; P802-L805 PolarHBondContact O-N 3.02Å; P802-A806 WeakPolarHBondContact O-CB 3.47Å; P802-A806 PolarHBondContact O-N 2.8Å; P802-L818 HydrophobicContact CB-CD2 4.38Å |
| 803 | L | 92.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.7 | -40.5 | 175.3 | -174.2 | 59.5 | 0 | 0 | 0 | 112.9 | T801 A806 V807 V815 L818 L819 A824 T826 P836 L852 | T801-L803 PolarHBondContact O-N 2.89Å; T801-L803 PolarHBondContact OG1-N 3.15Å; L803-A806 PolarHBondContact O-N 3.39Å; L803-V807 WeakPolarHBondContact O-CG2 3.38Å; L803-V807 PolarHBondContact O-N 3.41Å; L803-V815 HydrophobicContact CD1-CG1 4.14Å; L803-L818 HydrophobicContact CD1-CB 4.28Å; L803-L818 HydrophobicContact CD1-CD1 4.3Å; L803-L819 HydrophobicContact CD1-CD1 4.16Å; L803-L819 HydrophobicContact CD1-CD2 4.25Å; L803-L819 HydrophobicContact CD1-CG 4.02Å; L803-L819 HydrophobicContact CD2-CD2 3.77Å; L803-L819 HydrophobicContact CD2-CG 4.45Å; L803-A824 HydrophobicContact CB-CB 4.33Å; L803-A824 HydrophobicContact CD2-CB 4.13Å; L803-T826 HydrophobicContact CD2-CG2 4.31Å; L803-P836 HydrophobicContact CB-CG 4.27Å; L803-P836 HydrophobicContact CD2-CB 4.05Å; L803-P836 HydrophobicContact CD2-CG 3.87Å; L803-P836 HydrophobicContact CG-CB 3.91Å; L803-P836 HydrophobicContact CG-CG 3.9Å; L803-L852 HydrophobicContact CD2-CD2 4.46Å |
| 804 | H | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 172.1 | -61.5 | 76.5 | 0 | 0 | 0 | 110.3 | Q800 T801 A806 V807 N808 L828 D834 P836 D839 | Q800-H804 HydrophobicContact CB-CB 4.01Å; Q800-H804 HydrophobicContact CG-CB 4.25Å; T801-H804 PolarHBondContact N-ND1 2.98Å; T801-H804 VanDerWaalsContact N-ND1 3.1Å; T801-H804 WeakPolarHBondContact O-CB 3.37Å; T801-H804 PolarHBondContact O-N 3.15Å; T801-H804 PolarHBondContact OG1-ND1 2.62Å; H804-A806 VanDerWaalsContact C-N 3.29Å; H804-A806 PolarHBondContact O-N 3.17Å; H804-V807 PolarHBondContact O-N 2.9Å; H804-N808 WeakPolarHBondContact O-CB 3.26Å; H804-N808 PolarHBondContact O-N 2.83Å; H804-N808 PolarHBondContact O-ND2 3.37Å; H804-L828 PolarHBondContact CE1-O 3.06Å; H804-L828 PolarHBondContact NE2-O 3.13Å; H804-D834 PolarHBondContact NE2-O 3.33Å; H804-P836 WeakPolarHBondContact NE2-CD 3.43Å; H804-D839 WeakPolarHBondContact CB-OD2 3.4Å; H804-D839 IonicContact CD2-OD2 2.8Å; H804-D839 PolarHBondContact CD2-OD2 2.91Å; H804-D839 VanDerWaalsContact CD2-OD2 3.29Å; H804-D839 IonicContact CG-OD2 3.18Å |
| 805 | L | 91.2 | Very high | 90 | Very high | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.089 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -33.8 | 178.5 | -62.7 | -179.3 | 0 | 0 | 0 | 112.8 | H729 V732 T801 P802 R809 | H729-L805 HydrophobicContact CB-CD1 3.68Å; V732-L805 HydrophobicContact CG1-CB 4.18Å; T801-L805 PolarHBondContact O-N 3.34Å; T801-L805 VanDerWaalsContact O-N 3.13Å; P802-L805 PolarHBondContact O-N 3.02Å; L805-R809 WeakPolarHBondContact O-CB 3.46Å; L805-R809 VanDerWaalsContact O-CG 3.27Å; L805-R809 WeakPolarHBondContact O-CG 3.49Å; L805-R809 PolarHBondContact O-N 3.13Å |
| 806 | A | 92.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.9 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V732 P802 L803 H804 R809 Q810 N811 M814 V815 L818 | V732-A806 HydrophobicContact CG1-CB 3.84Å; P802-A806 WeakPolarHBondContact O-CB 3.47Å; P802-A806 PolarHBondContact O-N 2.8Å; L803-A806 PolarHBondContact O-N 3.39Å; H804-A806 VanDerWaalsContact C-N 3.29Å; H804-A806 PolarHBondContact O-N 3.17Å; A806-R809 PolarHBondContact O-N 3Å; A806-Q810 PolarHBondContact O-N 2.92Å; A806-N811 PolarHBondContact O-N 2.91Å; A806-M814 HydrophobicContact CB-CB 4.37Å; A806-M814 HydrophobicContact CB-CG 3.93Å; A806-V815 HydrophobicContact CB-CG2 3.6Å; A806-L818 HydrophobicContact CB-CD1 3.57Å |
| 807 | V | 92.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -47.3 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | L803 H804 R809 Q810 V815 P836 D839 A840 L852 | L803-V807 WeakPolarHBondContact O-CG2 3.38Å; L803-V807 PolarHBondContact O-N 3.41Å; H804-V807 PolarHBondContact O-N 2.9Å; V807-R809 PolarHBondContact O-N 2.73Å; V807-Q810 VanDerWaalsContact O-CA 3.3Å; V807-Q810 WeakPolarHBondContact O-CA 3.2Å; V807-Q810 PolarHBondContact O-N 3.02Å; V807-V815 HydrophobicContact CG2-CG2 3.95Å; V807-P836 HydrophobicContact CG2-CB 4.3Å; V807-D839 HydrophobicContact CB-CB 4.44Å; V807-D839 HydrophobicContact CG1-CB 3.7Å; V807-A840 HydrophobicContact CG1-CB 3.85Å; V807-L852 HydrophobicContact CG2-CD1 4.19Å |
| 808 | N | 91 | Very high | 90.4 | Very high | 80 Ų | 80 | 38.3 Ų | 38.3 | 43% | 0.428 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.9 | -21.2 | 178.2 | -71 | -45.9 | 0 | 0 | 0 | 113.4 | H804 Q810 D839 | H804-N808 WeakPolarHBondContact O-CB 3.26Å; H804-N808 PolarHBondContact O-N 2.83Å; H804-N808 PolarHBondContact O-ND2 3.37Å; N808-Q810 VanDerWaalsContact C-N 3.35Å; N808-D839 PolarHBondContact ND2-OD2 2.96Å |
| 809 | R | 89.2 | Confident | 90.5 | Very high | 130 Ų | 130 | 34.2 Ų | 34.2 | 49% | 0.491 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.3 | 167.9 | -73 | 179.5 | 170.3 | -86.3 | -21.8 | 114 | Q733 L805 A806 V807 N811 | Q733-R809 PolarHBondContact O-NE 2.81Å; Q733-R809 PolarHBondContact O-NH1 3.01Å; Q733-R809 VanDerWaalsContact OE1-CZ 3.22Å; L805-R809 WeakPolarHBondContact O-CB 3.46Å; L805-R809 VanDerWaalsContact O-CG 3.27Å; L805-R809 WeakPolarHBondContact O-CG 3.49Å; L805-R809 PolarHBondContact O-N 3.13Å; A806-R809 PolarHBondContact O-N 3Å; V807-R809 PolarHBondContact O-N 2.73Å; R809-N811 PolarHBondContact O-N 2.69Å; R809-N811 VanDerWaalsContact O-N 3.11Å |
| 810 | Q | 90 | Very high | 90.6 | Very high | 96 Ų | 96 | 34.4 Ų | 34.4 | 45% | 0.449 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 30.1 | -174.9 | -53.2 | -166.5 | 16.9 | 0 | 0 | 114.6 | A806 V807 N808 I812 N845 L848 | A806-Q810 PolarHBondContact O-N 2.92Å; V807-Q810 VanDerWaalsContact O-CA 3.3Å; V807-Q810 WeakPolarHBondContact O-CA 3.2Å; V807-Q810 PolarHBondContact O-N 3.02Å; N808-Q810 VanDerWaalsContact C-N 3.35Å; Q810-I812 PolarHBondContact O-N 3.41Å; Q810-N845 PolarHBondContact OE1-ND2 3.27Å; Q810-L848 HydrophobicContact CB-CD1 4.05Å; Q810-L848 HydrophobicContact CG-CD1 4.16Å |
| 811 | N | 90.3 | Very high | 90.3 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | trans | -86.4 | 81.4 | -173.9 | -173.7 | -18.4 | 0 | 0 | 0 | 110.4 | A806 R809 P813 M814 V815 | A806-N811 PolarHBondContact O-N 2.91Å; R809-N811 PolarHBondContact O-N 2.69Å; R809-N811 VanDerWaalsContact O-N 3.11Å; N811-P813 WeakPolarHBondContact OD1-CD 3.28Å; N811-M814 HydrophobicContact CB-CB 3.94Å; N811-M814 VanDerWaalsContact CG-CB 3.4Å; N811-M814 WeakPolarHBondContact O-CA 3.31Å; N811-M814 WeakPolarHBondContact O-CB 3.48Å; N811-M814 PolarHBondContact O-N 2.77Å; N811-M814 WeakPolarHBondContact OD1-CB 3.39Å; N811-M814 PolarHBondContact OD1-N 3.42Å; N811-V815 WeakPolarHBondContact O-CG2 3.44Å; N811-V815 PolarHBondContact O-N 3.17Å | ||
| 812 | I | 90.5 | Very high | 89.8 | Confident | 58 Ų | 58 | 39.3 Ų | 39.3 | 30% | 0.297 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -49.4 | -50.9 | -176.7 | -63.1 | 167.9 | 0 | 0 | 0 | 112.4 | Q810 M814 V815 Q816 T847 L848 L851 | Q810-I812 PolarHBondContact O-N 3.41Å; I812-M814 VanDerWaalsContact C-N 3.29Å; I812-M814 PolarHBondContact O-N 3.25Å; I812-V815 PolarHBondContact O-N 2.73Å; I812-V815 VanDerWaalsContact O-N 3.12Å; I812-Q816 HydrophobicContact CG2-CG 4.44Å; I812-Q816 WeakPolarHBondContact O-CG 3.19Å; I812-Q816 PolarHBondContact O-N 3.17Å; I812-T847 WeakPolarHBondContact CD1-OG1 3.34Å; I812-L848 HydrophobicContact CB-CD2 4.49Å; I812-L848 HydrophobicContact CG1-CD2 3.7Å; I812-L848 HydrophobicContact CG1-CG 4.12Å; I812-L851 HydrophobicContact CG2-CD1 3.95Å |
| 813 | P | 91.4 | Very high | 89.3 | Confident | 73 Ų | 73 | 43 Ų | 43 | 47% | 0.474 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.4 | -33.2 | 177.6 | -26.2 | 36.3 | 0 | 0 | 0 | 114.6 | I737 N811 C817 | I737-P813 HydrophobicContact CD1-CB 3.97Å; N811-P813 WeakPolarHBondContact OD1-CD 3.28Å; P813-C817 WeakPolarHBondContact O-CB 3.36Å; P813-C817 PolarHBondContact O-N 2.8Å |
| 814 | M | 89.5 | Confident | 89 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72 | -40.5 | 174.7 | -174.6 | 64.3 | 74.7 | 0 | 0 | 111.5 | V732 G735 I737 L740 A806 N811 I812 C817 L818 | V732-M814 HydrophobicContact CG1-CG 4.01Å; V732-M814 HydrophobicContact CG2-CG 4.3Å; V732-M814 HydrophobicContact CG2-SD 3.95Å; G735-M814 VanDerWaalsContact O-CE 3.3Å; G735-M814 WeakPolarHBondContact O-CE 3.19Å; I737-M814 HydrophobicContact CB-CE 4.47Å; I737-M814 HydrophobicContact CG1-CE 3.7Å; I737-M814 HydrophobicContact CG1-SD 4.03Å; L740-M814 HydrophobicContact CD2-SD 3.64Å; A806-M814 HydrophobicContact CB-CB 4.37Å; A806-M814 HydrophobicContact CB-CG 3.93Å; N811-M814 HydrophobicContact CB-CB 3.94Å; N811-M814 VanDerWaalsContact CG-CB 3.4Å; N811-M814 WeakPolarHBondContact O-CA 3.31Å; N811-M814 WeakPolarHBondContact O-CB 3.48Å; N811-M814 PolarHBondContact O-N 2.77Å; N811-M814 WeakPolarHBondContact OD1-CB 3.39Å; N811-M814 PolarHBondContact OD1-N 3.42Å; I812-M814 VanDerWaalsContact C-N 3.29Å; I812-M814 PolarHBondContact O-N 3.25Å; M814-C817 PolarHBondContact O-N 3.31Å; M814-L818 HydrophobicContact CG-CD1 4.1Å; M814-L818 WeakPolarHBondContact O-CB 3.47Å; M814-L818 VanDerWaalsContact O-CG 3.25Å; M814-L818 WeakPolarHBondContact O-CG 3.39Å; M814-L818 PolarHBondContact O-N 2.75Å |
| 815 | V | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | L803 A806 V807 N811 I812 L818 L819 L848 L851 | L803-V815 HydrophobicContact CD1-CG1 4.14Å; A806-V815 HydrophobicContact CB-CG2 3.6Å; V807-V815 HydrophobicContact CG2-CG2 3.95Å; N811-V815 WeakPolarHBondContact O-CG2 3.44Å; N811-V815 PolarHBondContact O-N 3.17Å; I812-V815 PolarHBondContact O-N 2.73Å; I812-V815 VanDerWaalsContact O-N 3.12Å; V815-L818 PolarHBondContact O-N 2.84Å; V815-L819 HydrophobicContact CG1-CD1 3.64Å; V815-L819 WeakPolarHBondContact O-CB 3.45Å; V815-L819 WeakPolarHBondContact O-CG 3.47Å; V815-L819 PolarHBondContact O-N 2.79Å; V815-L848 HydrophobicContact CB-CD2 4.23Å; V815-L848 HydrophobicContact CG1-CD2 4.24Å; V815-L848 HydrophobicContact CG2-CD2 4Å; V815-L851 HydrophobicContact CB-CD1 4.3Å; V815-L851 HydrophobicContact CG1-CD1 3.85Å; V815-L851 HydrophobicContact CG1-CD2 3.88Å |
| 816 | Q | 91.4 | Very high | 88.5 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 36% | 0.355 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.4 | -50.2 | 172 | -68.5 | -167.9 | -91.6 | 0 | 0 | 111.8 | I812 L818 L819 E820 L851 | I812-Q816 HydrophobicContact CG2-CG 4.44Å; I812-Q816 WeakPolarHBondContact O-CG 3.19Å; I812-Q816 PolarHBondContact O-N 3.17Å; Q816-L818 VanDerWaalsContact C-N 3.33Å; Q816-L818 PolarHBondContact O-N 3.06Å; Q816-L819 PolarHBondContact O-N 3.05Å; Q816-E820 WeakPolarHBondContact CB-OE1 3.26Å; Q816-E820 WeakPolarHBondContact CG-OE1 3.44Å; Q816-E820 PolarHBondContact NE2-OE1 3.4Å; Q816-E820 VanDerWaalsContact O-CB 3.24Å; Q816-E820 WeakPolarHBondContact O-CB 3.25Å; Q816-E820 WeakPolarHBondContact O-CG 3.46Å; Q816-E820 PolarHBondContact O-N 2.91Å; Q816-L851 HydrophobicContact CG-CD1 3.65Å; Q816-L851 HydrophobicContact CG-CD2 4.47Å; Q816-L851 HydrophobicContact CG-CG 4.21Å |
| 817 | C | 89.4 | Confident | 88.4 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.034 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -58.5 | -43.3 | 178.8 | -179 | 0 | 0 | 0 | 0 | 112.4 | I737 P813 M814 L819 E821 M822 | I737-C817 HydrophobicContact CG2-CB 4.37Å; P813-C817 WeakPolarHBondContact O-CB 3.36Å; P813-C817 PolarHBondContact O-N 2.8Å; M814-C817 PolarHBondContact O-N 3.31Å; C817-L819 PolarHBondContact O-N 2.99Å; C817-E821 WeakPolarHBondContact O-CB 3.37Å; C817-E821 PolarHBondContact O-N 3.19Å; C817-E821 PolarHBondContact SG-OE2 3.11Å; C817-M822 PolarHBondContact O-N 2.81Å |
| 818 | L | 89 | Confident | 88.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -63.2 | -39.8 | 177.6 | -72.6 | 167.7 | 0 | 0 | 0 | 112.5 | V732 L740 I792 P802 L803 A806 M814 V815 Q816 M822 N823 A824 | V732-L818 HydrophobicContact CG2-CD1 4.35Å; V732-L818 HydrophobicContact CG2-CD2 4.37Å; L740-L818 HydrophobicContact CD2-CD2 3.66Å; L740-L818 HydrophobicContact CD2-CG 4.24Å; I792-L818 HydrophobicContact CD1-CB 4.45Å; I792-L818 HydrophobicContact CD1-CD2 3.54Å; I792-L818 HydrophobicContact CG1-CD2 3.82Å; P802-L818 HydrophobicContact CB-CD2 4.38Å; L803-L818 HydrophobicContact CD1-CB 4.28Å; L803-L818 HydrophobicContact CD1-CD1 4.3Å; A806-L818 HydrophobicContact CB-CD1 3.57Å; M814-L818 HydrophobicContact CG-CD1 4.1Å; M814-L818 WeakPolarHBondContact O-CB 3.47Å; M814-L818 VanDerWaalsContact O-CG 3.25Å; M814-L818 WeakPolarHBondContact O-CG 3.39Å; M814-L818 PolarHBondContact O-N 2.75Å; V815-L818 PolarHBondContact O-N 2.84Å; Q816-L818 VanDerWaalsContact C-N 3.33Å; Q816-L818 PolarHBondContact O-N 3.06Å; L818-M822 CarbonylContact O-C 3.58Å; L818-N823 PolarHBondContact O-N 3.28Å; L818-N823 VanDerWaalsContact O-N 3.09Å; L818-A824 HydrophobicContact CB-CB 4.09Å; L818-A824 WeakPolarHBondContact O-CB 3.44Å; L818-A824 PolarHBondContact O-N 2.82Å |
| 819 | L | 89.2 | Confident | 88.1 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -86.1 | -49.9 | -176 | -68.3 | 164.7 | 0 | 0 | 0 | 113.1 | L803 V815 Q816 C817 N823 A824 T826 L851 L852 | L803-L819 HydrophobicContact CD1-CD1 4.16Å; L803-L819 HydrophobicContact CD1-CD2 4.25Å; L803-L819 HydrophobicContact CD1-CG 4.02Å; L803-L819 HydrophobicContact CD2-CD2 3.77Å; L803-L819 HydrophobicContact CD2-CG 4.45Å; V815-L819 HydrophobicContact CG1-CD1 3.64Å; V815-L819 WeakPolarHBondContact O-CB 3.45Å; V815-L819 WeakPolarHBondContact O-CG 3.47Å; V815-L819 PolarHBondContact O-N 2.79Å; Q816-L819 PolarHBondContact O-N 3.05Å; C817-L819 PolarHBondContact O-N 2.99Å; L819-N823 WeakPolarHBondContact O-CA 3.46Å; L819-N823 PolarHBondContact O-N 2.9Å; L819-A824 HydrophobicContact CD2-CB 4.48Å; L819-T826 HydrophobicContact CD2-CG2 3.53Å; L819-L851 HydrophobicContact CD1-CD2 3.48Å; L819-L851 VanDerWaalsContact CD1-CD2 3.48Å; L819-L852 HydrophobicContact CD1-CD2 3.84Å |
| 820 | E | 86.8 | Confident | 88.2 | Confident | 105 Ų | 105 | 43.9 Ų | 43.9 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | I | π-helix | trans | -79.6 | -52.1 | -174.4 | -58.2 | 174.8 | -152.2 | 0 | 0 | 112.3 | Q816 | Q816-E820 WeakPolarHBondContact CB-OE1 3.26Å; Q816-E820 WeakPolarHBondContact CG-OE1 3.44Å; Q816-E820 PolarHBondContact NE2-OE1 3.4Å; Q816-E820 VanDerWaalsContact O-CB 3.24Å; Q816-E820 WeakPolarHBondContact O-CB 3.25Å; Q816-E820 WeakPolarHBondContact O-CG 3.46Å; Q816-E820 PolarHBondContact O-N 2.91Å |
| 821 | E | 83 | Confident | 88.1 | Confident | 104 Ų | 104 | 41.5 Ų | 41.5 | 49% | 0.486 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -79.3 | -33.9 | -178 | -59.5 | -172.5 | 174.5 | 0 | 0 | 112.4 | R741 C817 | R741-E821 IonicContact CZ-OE1 2.7Å; R741-E821 IonicContact CZ-OE2 3.58Å; R741-E821 IonicContact NE-OE1 3.04Å; R741-E821 IonicContact NE-OE2 2.73Å; R741-E821 PolarHBondContact NE-OE2 3.47Å; R741-E821 IonicContact NH2-OE1 3.56Å; R741-E821 PolarHBondContact NH2-OE1 2.98Å; R741-E821 IonicContact NH2-OE2 3.5Å; R741-E821 PolarHBondContact NH2-OE2 2.91Å; C817-E821 WeakPolarHBondContact O-CB 3.37Å; C817-E821 PolarHBondContact O-N 3.19Å; C817-E821 PolarHBondContact SG-OE2 3.11Å |
| 822 | M | 80.4 | Confident | 88 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 16% | 0.158 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -7.2 | -164.5 | -54.9 | -169 | -176.7 | 0 | 0 | 115.9 | L740 R741 M744 I792 C817 L818 | L740-M822 HydrophobicContact CD2-CE 4.04Å; L740-M822 HydrophobicContact CD2-SD 3.83Å; L740-M822 HydrophobicContact CG-CE 3.94Å; L740-M822 HydrophobicContact CG-SD 3.91Å; R741-M822 HydrophobicContact CB-CE 4.36Å; R741-M822 HydrophobicContact CG-CE 3.67Å; M744-M822 HydrophobicContact CB-SD 4.47Å; M744-M822 HydrophobicContact CG-CE 4.39Å; M744-M822 HydrophobicContact CG-SD 3.82Å; I792-M822 HydrophobicContact CD1-CB 3.23Å; I792-M822 HydrophobicContact CD1-CG 4.24Å; I792-M822 HydrophobicContact CD1-SD 4.13Å; C817-M822 PolarHBondContact O-N 2.81Å; L818-M822 CarbonylContact O-C 3.58Å |
| 823 | N | 80.7 | Confident | 87.8 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | trans | 57.3 | 47.3 | 177.6 | -50.4 | -66.9 | 0 | 0 | 0 | 115.2 | L818 L819 K1649 | L818-N823 PolarHBondContact O-N 3.28Å; L818-N823 VanDerWaalsContact O-N 3.09Å; L819-N823 WeakPolarHBondContact O-CA 3.46Å; L819-N823 PolarHBondContact O-N 2.9Å; N823-K1649 WeakPolarHBondContact OD1-CE 3.38Å; N823-K1649 PolarHBondContact OD1-NZ 3.24Å | ||
| 824 | A | 86 | Confident | 87.8 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | trans | -57.5 | 145.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I792 L803 L818 L819 | I792-A824 HydrophobicContact CD1-CB 3.89Å; I792-A824 HydrophobicContact CG1-CB 4.02Å; L803-A824 HydrophobicContact CB-CB 4.33Å; L803-A824 HydrophobicContact CD2-CB 4.13Å; L818-A824 HydrophobicContact CB-CB 4.09Å; L818-A824 WeakPolarHBondContact O-CB 3.44Å; L818-A824 PolarHBondContact O-N 2.82Å; L819-A824 HydrophobicContact CD2-CB 4.48Å | ||
| 825 | L | 85.6 | Confident | 87.9 | Confident | 63 Ų | 63 | 39.6 Ų | 39.6 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | trans | -85.2 | 116.2 | -178.6 | -64.2 | 172.6 | 0 | 0 | 0 | 111.8 | L325 N793 N827 L828 | L325-L825 HydrophobicContact CD2-CD1 3.66Å; N793-L825 HydrophobicContact CB-CD1 4.49Å; N793-L825 WeakPolarHBondContact OD1-CB 3.25Å; N793-L825 WeakPolarHBondContact OD1-CG 3.49Å; N793-L825 PolarHBondContact OD1-N 3.1Å; L825-N827 VanDerWaalsContact C-N 3.31Å; L825-N827 PolarHBondContact O-N 2.93Å; L825-L828 HydrophobicContact CB-CD1 3.82Å; L825-L828 HydrophobicContact CB-CG 3.9Å; L825-L828 HydrophobicContact CD1-CD1 4.09Å; L825-L828 HydrophobicContact CD1-CG 4.4Å | ||
| 826 | T | 88.4 | Confident | 88 | Confident | 18 Ų | 18 | 39.6 Ų | 39.6 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.9 | 179.5 | 44.6 | 0 | 0 | 0 | 0 | 115.3 | L803 L819 P836 L852 H855 | L803-T826 HydrophobicContact CD2-CG2 4.31Å; L819-T826 HydrophobicContact CD2-CG2 3.53Å; T826-P836 WeakPolarHBondContact O-CD 3.12Å; T826-L852 HydrophobicContact CG2-CD2 4.08Å; T826-H855 HydrophobicContact CG2-CB 4.45Å |
| 827 | N | 89.6 | Confident | 88.1 | Confident | 62 Ų | 62 | 36.1 Ų | 36.1 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 11 | -170.2 | -66.5 | -5 | 0 | 0 | 0 | 113.9 | L825 D858 I861 | L825-N827 VanDerWaalsContact C-N 3.31Å; L825-N827 PolarHBondContact O-N 2.93Å; N827-D858 VanDerWaalsContact ND2-CB 3.26Å; N827-D858 WeakPolarHBondContact ND2-CB 3.31Å; N827-D858 PolarHBondContact OD1-N 3.29Å; N827-I861 HydrophobicContact CB-CD1 3.71Å |
| 828 | L | 88.3 | Confident | 88.2 | Confident | 16 Ų | 16 | 35.9 Ų | 35.9 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | trans | -81.8 | 125.8 | 175.9 | -68.9 | 176.4 | 0 | 0 | 0 | 109.4 | N793 T801 H804 L825 | N793-L828 HydrophobicContact CB-CD1 3.78Å; T801-L828 HydrophobicContact CG2-CB 4.03Å; T801-L828 HydrophobicContact CG2-CD1 3.82Å; H804-L828 PolarHBondContact CE1-O 3.06Å; H804-L828 PolarHBondContact NE2-O 3.13Å; L825-L828 HydrophobicContact CB-CD1 3.82Å; L825-L828 HydrophobicContact CB-CG 3.9Å; L825-L828 HydrophobicContact CD1-CD1 4.09Å; L825-L828 HydrophobicContact CD1-CG 4.4Å | ||
| 829 | Q | 89.3 | Confident | 88.4 | Confident | 69 Ų | 69 | 36.4 Ų | 36.4 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | trans | -89.4 | 147.1 | 178 | -61.2 | 176.6 | -87 | 0 | 0 | 112.6 | R795 G833 D834 T835 I861 L862 | R795-Q829 PolarHBondContact NH1-O 3.38Å; R795-Q829 PolarHBondContact NH2-O 3.13Å; Q829-G833 WeakPolarHBondContact CG-O 3.49Å; Q829-G833 PolarHBondContact NE2-O 2.93Å; Q829-D834 CarbonylContact C-O 3.52Å; Q829-D834 VanDerWaalsContact CA-O 3.22Å; Q829-D834 WeakPolarHBondContact CA-O 3.05Å; Q829-T835 HydrophobicContact CG-CG2 3.75Å; Q829-I861 VanDerWaalsContact CD-CG2 3.49Å; Q829-I861 HydrophobicContact CG-CG2 3.76Å; Q829-L862 PolarHBondContact NE2-O 3.47Å | ||
| 830 | D | 91.1 | Very high | 88.5 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | trans | -85.5 | -139.2 | -178.1 | 80.1 | -17.5 | 0 | 0 | 0 | 114.9 | R799 Q800 D832 G833 D834 | R799-D830 VanDerWaalsContact CB-C 3.45Å; R799-D830 WeakPolarHBondContact CB-O 3.45Å; R799-D830 WeakPolarHBondContact CD-O 3.27Å; Q800-D830 HydrophobicContact CG-CB 3.79Å; D830-D832 PolarHBondContact OD1-N 2.83Å; D830-G833 PolarHBondContact OD1-N 2.92Å; D830-D834 PolarHBondContact N-O 3.27Å; D830-D834 PolarHBondContact OD1-N 3.36Å; D830-D834 VanDerWaalsContact OD1-N 3.08Å | ||
| 831 | C | 89.1 | Confident | 88.8 | Confident | 45 Ų | 45 | 31.1 Ų | 31.1 | 30% | 0.304 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -83.7 | -36.6 | 173 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | L798 N864 | L798-C831 VanDerWaalsContact O-CB 3.3Å; L798-C831 WeakPolarHBondContact O-CB 3.19Å; L798-C831 PolarHBondContact O-N 2.98Å; L798-C831 PolarHBondContact O-SG 2.82Å; C831-N864 PolarHBondContact O-ND2 3.22Å |
| 832 | D | 87.7 | Confident | 89.1 | Confident | 98 Ų | 98 | 28.7 Ų | 28.7 | 52% | 0.524 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -86.6 | -1.4 | 177.8 | -66.4 | -66.2 | 0 | 0 | 0 | 112.1 | D830 D834 N864 | D830-D832 PolarHBondContact OD1-N 2.83Å; D832-D834 VanDerWaalsContact C-N 3.27Å; D832-N864 VanDerWaalsContact C-CG 3.45Å; D832-N864 WeakPolarHBondContact CA-ND2 3.24Å; D832-N864 WeakPolarHBondContact O-CB 3.48Å; D832-N864 PolarHBondContact O-N 2.87Å; D832-N864 PolarHBondContact O-ND2 2.74Å |
| 833 | G | 86.4 | Confident | 89.4 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 86.9 | 2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q829 D830 N863 | Q829-G833 WeakPolarHBondContact CG-O 3.49Å; Q829-G833 PolarHBondContact NE2-O 2.93Å; D830-G833 PolarHBondContact OD1-N 2.92Å; G833-N863 WeakPolarHBondContact O-CA 3.43Å |
| 834 | D | 91.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 28.7 Ų | 28.7 | 16% | 0.155 | 16% | 0.161 | C | C | . | . | trans | -74.3 | 145.6 | 178.4 | -76.2 | -49.6 | 0 | 0 | 0 | 109.9 | H804 Q829 D830 D832 H838 N863 | H804-D834 PolarHBondContact NE2-O 3.33Å; Q829-D834 CarbonylContact C-O 3.52Å; Q829-D834 VanDerWaalsContact CA-O 3.22Å; Q829-D834 WeakPolarHBondContact CA-O 3.05Å; D830-D834 PolarHBondContact N-O 3.27Å; D830-D834 PolarHBondContact OD1-N 3.36Å; D830-D834 VanDerWaalsContact OD1-N 3.08Å; D832-D834 VanDerWaalsContact C-N 3.27Å; D834-H838 HydrophobicContact CB-CB 3.64Å; D834-H838 WeakPolarHBondContact OD1-CB 3.48Å; D834-H838 IonicContact OD1-CD2 3.96Å; D834-H838 PolarHBondContact OD1-CD2 3.23Å; D834-H838 IonicContact OD1-CG 2.88Å; D834-N863 WeakPolarHBondContact OD1-CB 3.41Å; D834-N863 PolarHBondContact OD1-ND2 3.37Å | ||
| 835 | T | 91.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | trans | -97.6 | 168 | 171.5 | 65 | 0 | 0 | 0 | 0 | 109.4 | Q829 L837 H838 D839 I861 | Q829-T835 HydrophobicContact CG-CG2 3.75Å; T835-L837 PolarHBondContact O-N 2.69Å; T835-H838 WeakPolarHBondContact O-CA 3.42Å; T835-H838 WeakPolarHBondContact O-CB 3.48Å; T835-H838 PolarHBondContact O-N 2.73Å; T835-H838 PolarHBondContact OG1-ND1 2.87Å; T835-D839 PolarHBondContact O-N 2.89Å; T835-I861 HydrophobicContact CG2-CB 4.45Å; T835-I861 HydrophobicContact CG2-CD1 4.24Å; T835-I861 HydrophobicContact CG2-CG2 3.85Å | ||
| 836 | P | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.5 | -21.3 | 174.1 | -27.5 | 36.4 | 0 | 0 | 0 | 114.6 | L803 H804 V807 T826 A840 L852 | L803-P836 HydrophobicContact CB-CG 4.27Å; L803-P836 HydrophobicContact CD2-CB 4.05Å; L803-P836 HydrophobicContact CD2-CG 3.87Å; L803-P836 HydrophobicContact CG-CB 3.91Å; L803-P836 HydrophobicContact CG-CG 3.9Å; H804-P836 WeakPolarHBondContact NE2-CD 3.43Å; V807-P836 HydrophobicContact CG2-CB 4.3Å; T826-P836 WeakPolarHBondContact O-CD 3.12Å; P836-A840 WeakPolarHBondContact O-CB 3.39Å; P836-A840 PolarHBondContact O-N 2.84Å; P836-A840 VanDerWaalsContact O-N 3.1Å; P836-L852 HydrophobicContact CB-CD2 4.41Å; P836-L852 VanDerWaalsContact O-CD1 3.25Å; P836-L852 WeakPolarHBondContact O-CD1 3.5Å |
| 837 | L | 93.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -76.9 | -37.4 | 170.8 | -177.4 | 63.1 | 0 | 0 | 0 | 112.4 | T835 A840 I841 V849 L852 L853 P857 L859 L885 | T835-L837 PolarHBondContact O-N 2.69Å; L837-A840 PolarHBondContact O-N 3.38Å; L837-I841 HydrophobicContact CD1-CD1 4.24Å; L837-I841 HydrophobicContact CD1-CG1 4.4Å; L837-I841 HydrophobicContact CG-CD1 3.93Å; L837-I841 WeakPolarHBondContact O-CB 3.18Å; L837-I841 WeakPolarHBondContact O-CD1 3.24Å; L837-I841 WeakPolarHBondContact O-CG1 3.33Å; L837-I841 PolarHBondContact O-N 2.74Å; L837-V849 HydrophobicContact CD1-CG1 4.19Å; L837-V849 HydrophobicContact CD1-CG2 4.4Å; L837-L852 HydrophobicContact CD1-CB 4.21Å; L837-L852 HydrophobicContact CD1-CD1 4.44Å; L837-L853 HydrophobicContact CD2-CD2 4.32Å; L837-P857 HydrophobicContact CD2-CB 4.23Å; L837-P857 HydrophobicContact CD2-CG 3.81Å; L837-L859 HydrophobicContact CD2-CD2 3.37Å; L837-L885 HydrophobicContact CD2-CD2 4.5Å |
| 838 | H | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 171.9 | -68.4 | 79.7 | 0 | 0 | 0 | 110.9 | D834 T835 A840 I841 S842 Q867 S869 | D834-H838 HydrophobicContact CB-CB 3.64Å; D834-H838 WeakPolarHBondContact OD1-CB 3.48Å; D834-H838 IonicContact OD1-CD2 3.96Å; D834-H838 PolarHBondContact OD1-CD2 3.23Å; D834-H838 IonicContact OD1-CG 2.88Å; T835-H838 WeakPolarHBondContact O-CA 3.42Å; T835-H838 WeakPolarHBondContact O-CB 3.48Å; T835-H838 PolarHBondContact O-N 2.73Å; T835-H838 PolarHBondContact OG1-ND1 2.87Å; H838-A840 PolarHBondContact O-N 3.06Å; H838-I841 PolarHBondContact O-N 3.45Å; H838-S842 WeakPolarHBondContact O-CB 3.36Å; H838-S842 PolarHBondContact O-N 2.99Å; H838-S842 PolarHBondContact O-OG 3.39Å; H838-Q867 PolarHBondContact NE2-O 3.19Å; H838-S869 PolarHBondContact NE2-N 3.41Å |
| 839 | D | 91.4 | Very high | 90.4 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.064 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.6 | -49.6 | 169.9 | -71.8 | 7.1 | 0 | 0 | 0 | 111.2 | H804 V807 N808 T835 I841 S842 S843 | H804-D839 WeakPolarHBondContact CB-OD2 3.4Å; H804-D839 IonicContact CD2-OD2 2.8Å; H804-D839 PolarHBondContact CD2-OD2 2.91Å; H804-D839 VanDerWaalsContact CD2-OD2 3.29Å; H804-D839 IonicContact CG-OD2 3.18Å; V807-D839 HydrophobicContact CB-CB 4.44Å; V807-D839 HydrophobicContact CG1-CB 3.7Å; N808-D839 PolarHBondContact ND2-OD2 2.96Å; T835-D839 PolarHBondContact O-N 2.89Å; D839-I841 PolarHBondContact O-N 2.72Å; D839-S842 PolarHBondContact O-N 2.85Å; D839-S843 WeakPolarHBondContact O-CB 3.49Å; D839-S843 PolarHBondContact O-N 3.35Å |
| 840 | A | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V807 P836 L837 H838 S843 Q844 N845 L848 V849 L852 | V807-A840 HydrophobicContact CG1-CB 3.85Å; P836-A840 WeakPolarHBondContact O-CB 3.39Å; P836-A840 PolarHBondContact O-N 2.84Å; P836-A840 VanDerWaalsContact O-N 3.1Å; L837-A840 PolarHBondContact O-N 3.38Å; H838-A840 PolarHBondContact O-N 3.06Å; A840-S843 PolarHBondContact O-N 2.94Å; A840-S843 PolarHBondContact O-OG 3.1Å; A840-Q844 PolarHBondContact O-N 2.94Å; A840-N845 PolarHBondContact O-N 2.96Å; A840-L848 HydrophobicContact CB-CB 4.19Å; A840-V849 HydrophobicContact CB-CG2 3.81Å; A840-L852 HydrophobicContact CB-CD1 3.64Å |
| 841 | I | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.8 | -46.1 | 176.3 | -68.6 | 166.2 | 0 | 0 | 0 | 111 | L837 H838 D839 S843 Q844 V849 C872 A873 I881 L885 | L837-I841 HydrophobicContact CD1-CD1 4.24Å; L837-I841 HydrophobicContact CD1-CG1 4.4Å; L837-I841 HydrophobicContact CG-CD1 3.93Å; L837-I841 WeakPolarHBondContact O-CB 3.18Å; L837-I841 WeakPolarHBondContact O-CD1 3.24Å; L837-I841 WeakPolarHBondContact O-CG1 3.33Å; L837-I841 PolarHBondContact O-N 2.74Å; H838-I841 PolarHBondContact O-N 3.45Å; D839-I841 PolarHBondContact O-N 2.72Å; I841-S843 PolarHBondContact O-N 2.93Å; I841-Q844 WeakPolarHBondContact O-CA 3.46Å; I841-Q844 PolarHBondContact O-N 2.76Å; I841-V849 HydrophobicContact CG1-CG2 3.93Å; I841-C872 HydrophobicContact CG2-CB 4.21Å; I841-A873 HydrophobicContact CG2-CB 3.95Å; I841-I881 HydrophobicContact CG1-CG2 3.89Å; I841-I881 HydrophobicContact CG2-CG2 4.31Å; I841-L885 HydrophobicContact CD1-CD1 4.1Å |
| 842 | S | 90.1 | Very high | 90.5 | Very high | 52 Ų | 52 | 25.1 Ų | 25.1 | 36% | 0.364 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.2 | -31.4 | 176.2 | -60 | 0 | 0 | 0 | 0 | 112.2 | H838 D839 Q844 H876 | H838-S842 WeakPolarHBondContact O-CB 3.36Å; H838-S842 PolarHBondContact O-N 2.99Å; H838-S842 PolarHBondContact O-OG 3.39Å; D839-S842 PolarHBondContact O-N 2.85Å; S842-Q844 PolarHBondContact O-N 2.89Å; S842-H876 PolarHBondContact OG-CE1 2.87Å |
| 843 | S | 87.5 | Confident | 90.6 | Very high | 35 Ų | 35 | 20.5 Ų | 20.5 | 25% | 0.245 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -7.9 | 172 | 83.3 | 0 | 0 | 0 | 0 | 114.5 | D839 A840 I841 N845 | D839-S843 WeakPolarHBondContact O-CB 3.49Å; D839-S843 PolarHBondContact O-N 3.35Å; A840-S843 PolarHBondContact O-N 2.94Å; A840-S843 PolarHBondContact O-OG 3.1Å; I841-S843 PolarHBondContact O-N 2.93Å; S843-N845 PolarHBondContact O-N 2.84Å; S843-N845 VanDerWaalsContact O-N 3.15Å; S843-N845 WeakPolarHBondContact OG-CB 3.25Å; S843-N845 PolarHBondContact OG-N 3.11Å |
| 844 | Q | 87.2 | Confident | 90.7 | Very high | 77 Ų | 77 | 28.4 Ų | 28.4 | 36% | 0.36 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 24 | -175.6 | -74.2 | -80.8 | 20.5 | 0 | 0 | 114.6 | A840 I841 S842 T846 H876 I881 | A840-Q844 PolarHBondContact O-N 2.94Å; I841-Q844 WeakPolarHBondContact O-CA 3.46Å; I841-Q844 PolarHBondContact O-N 2.76Å; S842-Q844 PolarHBondContact O-N 2.89Å; Q844-T846 PolarHBondContact O-N 3.15Å; Q844-H876 PolarHBondContact NE2-O 3.37Å; Q844-I881 VanDerWaalsContact OE1-CD1 3.32Å |
| 845 | N | 87.9 | Confident | 90.3 | Very high | 28 Ų | 28 | 30.3 Ų | 30.3 | 15% | 0.15 | 15% | 0.154 | C | C | . | . | trans | -93.7 | 95.2 | -177.7 | -171.8 | -38.1 | 0 | 0 | 0 | 111 | Q810 A840 S843 T847 L848 V849 | Q810-N845 PolarHBondContact OE1-ND2 3.27Å; A840-N845 PolarHBondContact O-N 2.96Å; S843-N845 PolarHBondContact O-N 2.84Å; S843-N845 VanDerWaalsContact O-N 3.15Å; S843-N845 WeakPolarHBondContact OG-CB 3.25Å; S843-N845 PolarHBondContact OG-N 3.11Å; N845-T847 VanDerWaalsContact C-N 3.27Å; N845-T847 PolarHBondContact O-N 2.89Å; N845-T847 PolarHBondContact OD1-N 3.02Å; N845-T847 PolarHBondContact OD1-OG1 2.68Å; N845-L848 HydrophobicContact CB-CB 4.25Å; N845-L848 HydrophobicContact CB-CD1 3.98Å; N845-L848 HydrophobicContact CB-CG 4.35Å; N845-L848 PolarHBondContact O-N 3.32Å; N845-L848 VanDerWaalsContact O-N 3.16Å; N845-L848 PolarHBondContact OD1-N 3.47Å; N845-L848 VanDerWaalsContact OD1-N 3.11Å; N845-V849 PolarHBondContact O-N 2.81Å; N845-V849 VanDerWaalsContact O-N 3.08Å | ||
| 846 | T | 89.8 | Confident | 89.8 | Confident | 47 Ų | 47 | 36.7 Ų | 36.7 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -53.4 | -40.8 | 178.9 | 50.6 | 0 | 0 | 0 | 0 | 113 | Q844 L848 V849 E850 E880 I881 L884 | Q844-T846 PolarHBondContact O-N 3.15Å; T846-L848 VanDerWaalsContact C-N 3.32Å; T846-L848 PolarHBondContact O-N 3.27Å; T846-V849 PolarHBondContact O-N 2.9Å; T846-V849 VanDerWaalsContact O-N 3.16Å; T846-E850 PolarHBondContact O-N 3.37Å; T846-E880 HydrophobicContact CG2-CB 4.07Å; T846-E880 HydrophobicContact CG2-CG 4Å; T846-I881 HydrophobicContact CG2-CG1 3.91Å; T846-L884 HydrophobicContact CG2-CD1 4.37Å |
| 847 | T | 91.3 | Very high | 89.4 | Confident | 65 Ų | 65 | 37.4 Ų | 37.4 | 40% | 0.399 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.8 | -31.6 | -178.1 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | I812 N845 L851 | I812-T847 WeakPolarHBondContact CD1-OG1 3.34Å; N845-T847 VanDerWaalsContact C-N 3.27Å; N845-T847 PolarHBondContact O-N 2.89Å; N845-T847 PolarHBondContact OD1-N 3.02Å; N845-T847 PolarHBondContact OD1-OG1 2.68Å; T847-L851 VanDerWaalsContact O-CB 3.29Å; T847-L851 WeakPolarHBondContact O-CB 3.46Å; T847-L851 PolarHBondContact O-N 3.47Å |
| 848 | L | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -76.1 | -36.5 | 172.2 | -73.3 | 170.9 | 0 | 0 | 0 | 111.8 | Q810 I812 V815 A840 N845 T846 L851 L852 | Q810-L848 HydrophobicContact CB-CD1 4.05Å; Q810-L848 HydrophobicContact CG-CD1 4.16Å; I812-L848 HydrophobicContact CB-CD2 4.49Å; I812-L848 HydrophobicContact CG1-CD2 3.7Å; I812-L848 HydrophobicContact CG1-CG 4.12Å; V815-L848 HydrophobicContact CB-CD2 4.23Å; V815-L848 HydrophobicContact CG1-CD2 4.24Å; V815-L848 HydrophobicContact CG2-CD2 4Å; A840-L848 HydrophobicContact CB-CB 4.19Å; N845-L848 HydrophobicContact CB-CB 4.25Å; N845-L848 HydrophobicContact CB-CD1 3.98Å; N845-L848 HydrophobicContact CB-CG 4.35Å; N845-L848 PolarHBondContact O-N 3.32Å; N845-L848 VanDerWaalsContact O-N 3.16Å; N845-L848 PolarHBondContact OD1-N 3.47Å; N845-L848 VanDerWaalsContact OD1-N 3.11Å; T846-L848 VanDerWaalsContact C-N 3.32Å; T846-L848 PolarHBondContact O-N 3.27Å; L848-L851 HydrophobicContact CD2-CD1 4.44Å; L848-L851 PolarHBondContact O-N 2.71Å; L848-L852 WeakPolarHBondContact O-CB 3.4Å; L848-L852 WeakPolarHBondContact O-CD1 3.15Å; L848-L852 WeakPolarHBondContact O-CG 3.24Å; L848-L852 PolarHBondContact O-N 3.47Å |
| 849 | V | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -49.1 | 173.7 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | L837 A840 I841 N845 T846 L851 L852 L853 I881 | L837-V849 HydrophobicContact CD1-CG1 4.19Å; L837-V849 HydrophobicContact CD1-CG2 4.4Å; A840-V849 HydrophobicContact CB-CG2 3.81Å; I841-V849 HydrophobicContact CG1-CG2 3.93Å; N845-V849 PolarHBondContact O-N 2.81Å; N845-V849 VanDerWaalsContact O-N 3.08Å; T846-V849 PolarHBondContact O-N 2.9Å; T846-V849 VanDerWaalsContact O-N 3.16Å; V849-L851 PolarHBondContact O-N 3.43Å; V849-L852 PolarHBondContact O-N 2.9Å; V849-L853 HydrophobicContact CG1-CD1 3.64Å; V849-L853 HydrophobicContact CG1-CG 4.21Å; V849-L853 WeakPolarHBondContact O-CB 3.45Å; V849-L853 VanDerWaalsContact O-CG 3.24Å; V849-L853 WeakPolarHBondContact O-CG 3.14Å; V849-L853 PolarHBondContact O-N 3.14Å; V849-I881 HydrophobicContact CG1-CG2 4.35Å; V849-I881 HydrophobicContact CG2-CD1 4.16Å; V849-I881 HydrophobicContact CG2-CG1 4.46Å |
| 850 | E | 90.5 | Very high | 88.3 | Confident | 61 Ų | 61 | 43.8 Ų | 43.8 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -54 | -50.4 | 173.5 | -79.7 | -174.8 | -117.9 | 0 | 0 | 112.2 | T846 L852 L853 R854 L884 | T846-E850 PolarHBondContact O-N 3.37Å; E850-L852 VanDerWaalsContact C-N 3.34Å; E850-L852 PolarHBondContact O-N 3.42Å; E850-L853 PolarHBondContact O-N 3.22Å; E850-R854 VanDerWaalsContact O-CG 3.23Å; E850-R854 WeakPolarHBondContact O-CG 3.39Å; E850-R854 PolarHBondContact O-N 3.08Å; E850-R854 IonicContact OE2-CZ 2.96Å; E850-R854 IonicContact OE2-NH2 3.74Å; E850-R854 PolarHBondContact OE2-NH2 2.83Å; E850-L884 HydrophobicContact CG-CD1 3.85Å; E850-L884 HydrophobicContact CG-CD2 3.91Å |
| 851 | L | 90.8 | Very high | 88.1 | Confident | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | -178.6 | -168 | -179 | 0 | 0 | 0 | 110.5 | I812 V815 Q816 L819 T847 L848 V849 H855 | I812-L851 HydrophobicContact CG2-CD1 3.95Å; V815-L851 HydrophobicContact CB-CD1 4.3Å; V815-L851 HydrophobicContact CG1-CD1 3.85Å; V815-L851 HydrophobicContact CG1-CD2 3.88Å; Q816-L851 HydrophobicContact CG-CD1 3.65Å; Q816-L851 HydrophobicContact CG-CD2 4.47Å; Q816-L851 HydrophobicContact CG-CG 4.21Å; L819-L851 HydrophobicContact CD1-CD2 3.48Å; L819-L851 VanDerWaalsContact CD1-CD2 3.48Å; T847-L851 VanDerWaalsContact O-CB 3.29Å; T847-L851 WeakPolarHBondContact O-CB 3.46Å; T847-L851 PolarHBondContact O-N 3.47Å; L848-L851 HydrophobicContact CD2-CD1 4.44Å; L848-L851 PolarHBondContact O-N 2.71Å; V849-L851 PolarHBondContact O-N 3.43Å; L851-H855 PolarHBondContact O-CD2 3Å; L851-H855 VanDerWaalsContact O-CD2 3.26Å |
| 852 | L | 91 | Very high | 87.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -43 | 175.9 | -74.3 | 164.2 | 0 | 0 | 0 | 112.1 | L803 V807 L819 T826 P836 L837 A840 L848 V849 E850 R854 H855 P857 | L803-L852 HydrophobicContact CD2-CD2 4.46Å; V807-L852 HydrophobicContact CG2-CD1 4.19Å; L819-L852 HydrophobicContact CD1-CD2 3.84Å; T826-L852 HydrophobicContact CG2-CD2 4.08Å; P836-L852 HydrophobicContact CB-CD2 4.41Å; P836-L852 VanDerWaalsContact O-CD1 3.25Å; P836-L852 WeakPolarHBondContact O-CD1 3.5Å; L837-L852 HydrophobicContact CD1-CB 4.21Å; L837-L852 HydrophobicContact CD1-CD1 4.44Å; A840-L852 HydrophobicContact CB-CD1 3.64Å; L848-L852 WeakPolarHBondContact O-CB 3.4Å; L848-L852 WeakPolarHBondContact O-CD1 3.15Å; L848-L852 WeakPolarHBondContact O-CG 3.24Å; L848-L852 PolarHBondContact O-N 3.47Å; V849-L852 PolarHBondContact O-N 2.9Å; E850-L852 VanDerWaalsContact C-N 3.34Å; E850-L852 PolarHBondContact O-N 3.42Å; L852-R854 VanDerWaalsContact C-N 3.34Å; L852-R854 PolarHBondContact O-N 2.9Å; L852-H855 PolarHBondContact O-N 3.01Å; L852-P857 VanDerWaalsContact O-CD 3.31Å; L852-P857 WeakPolarHBondContact O-CD 3.4Å |
| 853 | L | 89.8 | Confident | 87.8 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 179.8 | -75.1 | 172.8 | 0 | 0 | 0 | 112.8 | L837 V849 E850 H855 N856 P857 L859 L884 L885 H888 | L837-L853 HydrophobicContact CD2-CD2 4.32Å; V849-L853 HydrophobicContact CG1-CD1 3.64Å; V849-L853 HydrophobicContact CG1-CG 4.21Å; V849-L853 WeakPolarHBondContact O-CB 3.45Å; V849-L853 VanDerWaalsContact O-CG 3.24Å; V849-L853 WeakPolarHBondContact O-CG 3.14Å; V849-L853 PolarHBondContact O-N 3.14Å; E850-L853 PolarHBondContact O-N 3.22Å; L853-H855 PolarHBondContact O-N 3.15Å; L853-N856 PolarHBondContact O-N 3.07Å; L853-N856 PolarHBondContact O-OD1 3.39Å; L853-P857 HydrophobicContact CD2-CG 3.98Å; L853-L859 HydrophobicContact CD2-CD2 3.97Å; L853-L884 HydrophobicContact CD1-CB 4.19Å; L853-L885 HydrophobicContact CD1-CD2 4.34Å; L853-L885 HydrophobicContact CD2-CD2 4.04Å; L853-H888 HydrophobicContact CD2-CB 4.33Å |
| 854 | R | 87.9 | Confident | 87.8 | Confident | 168 Ų | 168 | 51.6 Ų | 51.6 | 63% | 0.634 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -12.3 | 173.1 | -67.7 | 165.1 | -164.7 | -165.3 | 6.4 | 113.9 | E850 L852 | E850-R854 VanDerWaalsContact O-CG 3.23Å; E850-R854 WeakPolarHBondContact O-CG 3.39Å; E850-R854 PolarHBondContact O-N 3.08Å; E850-R854 IonicContact OE2-CZ 2.96Å; E850-R854 IonicContact OE2-NH2 3.74Å; E850-R854 PolarHBondContact OE2-NH2 2.83Å; L852-R854 VanDerWaalsContact C-N 3.34Å; L852-R854 PolarHBondContact O-N 2.9Å |
| 855 | H | 83.3 | Confident | 87.6 | Confident | 70 Ų | 70 | 51 Ų | 51 | 32% | 0.324 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 15.9 | 173.9 | -67.4 | -66.9 | 0 | 0 | 0 | 114.1 | T826 L851 L852 L853 | T826-H855 HydrophobicContact CG2-CB 4.45Å; L851-H855 PolarHBondContact O-CD2 3Å; L851-H855 VanDerWaalsContact O-CD2 3.26Å; L852-H855 PolarHBondContact O-N 3.01Å; L853-H855 PolarHBondContact O-N 3.15Å |
| 856 | N | 81.5 | Confident | 87.4 | Confident | 136 Ų | 136 | 50 Ų | 50 | 73% | 0.727 | 27% | 0.268 | S | S | * | . | trans | 49.5 | 62.9 | 176.7 | -65.8 | 5.2 | 0 | 0 | 0 | 114.2 | L853 | L853-N856 PolarHBondContact O-N 3.07Å; L853-N856 PolarHBondContact O-OD1 3.39Å | ||
| 857 | P | 84.8 | Confident | 87.3 | Confident | 15 Ų | 15 | 49.3 Ų | 49.3 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | trans | -70.8 | 153.3 | 175.4 | 32.9 | -33.7 | 0 | 0 | 0 | 110.8 | L837 L852 L853 L859 | L837-P857 HydrophobicContact CD2-CB 4.23Å; L837-P857 HydrophobicContact CD2-CG 3.81Å; L852-P857 VanDerWaalsContact O-CD 3.31Å; L852-P857 WeakPolarHBondContact O-CD 3.4Å; L853-P857 HydrophobicContact CD2-CG 3.98Å; P857-L859 HydrophobicContact CG-CD2 4.34Å; P857-L859 PolarHBondContact O-N 3.08Å | ||
| 858 | D | 82.2 | Confident | 87.1 | Confident | 67 Ų | 67 | 46.5 Ų | 46.5 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | trans | -82.4 | 100.8 | -179.6 | -172.7 | -11.5 | 0 | 0 | 0 | 111 | N827 T860 I861 | N827-D858 VanDerWaalsContact ND2-CB 3.26Å; N827-D858 WeakPolarHBondContact ND2-CB 3.31Å; N827-D858 PolarHBondContact OD1-N 3.29Å; D858-T860 PolarHBondContact O-N 3.26Å; D858-T860 WeakPolarHBondContact OD1-CB 3.45Å; D858-T860 PolarHBondContact OD1-N 3.36Å; D858-T860 PolarHBondContact OD1-OG1 3Å; D858-I861 HydrophobicContact CB-CD1 3.93Å; D858-I861 HydrophobicContact CB-CG1 4.1Å; D858-I861 PolarHBondContact O-N 3.15Å | ||
| 859 | L | 86.5 | Confident | 87.1 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12.6 | 179.3 | -53.1 | -175.9 | 0 | 0 | 0 | 113.4 | L837 L853 P857 L885 C889 I895 | L837-L859 HydrophobicContact CD2-CD2 3.37Å; L853-L859 HydrophobicContact CD2-CD2 3.97Å; P857-L859 HydrophobicContact CG-CD2 4.34Å; P857-L859 PolarHBondContact O-N 3.08Å; L859-L885 HydrophobicContact CD1-CD2 4.34Å; L859-L885 HydrophobicContact CD2-CD2 3.89Å; L859-C889 VanDerWaalsContact CD1-SG 3.54Å; L859-I895 HydrophobicContact CB-CD1 3.72Å; L859-I895 WeakPolarHBondContact O-CD1 3.24Å |
| 860 | T | 85 | Confident | 87 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 41% | 0.411 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -8.4 | -177.3 | 72.8 | 0 | 0 | 0 | 0 | 114 | D858 | D858-T860 PolarHBondContact O-N 3.26Å; D858-T860 WeakPolarHBondContact OD1-CB 3.45Å; D858-T860 PolarHBondContact OD1-N 3.36Å; D858-T860 PolarHBondContact OD1-OG1 3Å |
| 861 | I | 87.3 | Confident | 87 | Confident | 27 Ų | 27 | 43.8 Ų | 43.8 | 14% | 0.138 | 23% | 0.231 | C | C | . | . | trans | -67.3 | 136 | 178.1 | -63.4 | 175.5 | 0 | 0 | 0 | 110.1 | N827 Q829 T835 D858 | N827-I861 HydrophobicContact CB-CD1 3.71Å; Q829-I861 VanDerWaalsContact CD-CG2 3.49Å; Q829-I861 HydrophobicContact CG-CG2 3.76Å; T835-I861 HydrophobicContact CG2-CB 4.45Å; T835-I861 HydrophobicContact CG2-CD1 4.24Å; T835-I861 HydrophobicContact CG2-CG2 3.85Å; D858-I861 HydrophobicContact CB-CD1 3.93Å; D858-I861 HydrophobicContact CB-CG1 4.1Å; D858-I861 PolarHBondContact O-N 3.15Å | ||
| 862 | L | 88.7 | Confident | 86.9 | Confident | 87 Ų | 87 | 43.2 Ų | 43.2 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | trans | -108 | 134.1 | 177.2 | -54.6 | -177.2 | 0 | 0 | 0 | 111.3 | Q829 Q867 N868 | Q829-L862 PolarHBondContact NE2-O 3.47Å; L862-Q867 VanDerWaalsContact CA-O 3.29Å; L862-Q867 WeakPolarHBondContact CA-O 3.31Å; L862-N868 HydrophobicContact CD2-CB 3.69Å | ||
| 863 | N | 87.8 | Confident | 86.9 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 10% | 0.096 | 23% | 0.229 | C | C | . | . | trans | -75.2 | -178.7 | 170.7 | 72 | 5 | 0 | 0 | 0 | 112.7 | G833 D834 A865 G866 Q867 | G833-N863 WeakPolarHBondContact O-CA 3.43Å; D834-N863 WeakPolarHBondContact OD1-CB 3.41Å; D834-N863 PolarHBondContact OD1-ND2 3.37Å; N863-A865 PolarHBondContact O-N 3.45Å; N863-A865 WeakPolarHBondContact OD1-CB 3.27Å; N863-A865 PolarHBondContact OD1-N 3.08Å; N863-A865 VanDerWaalsContact OD1-N 3.12Å; N863-G866 WeakPolarHBondContact O-CA 3.48Å; N863-G866 PolarHBondContact O-N 3.42Å; N863-G866 PolarHBondContact OD1-N 3.02Å; N863-Q867 PolarHBondContact N-O 3.16Å; N863-Q867 PolarHBondContact OD1-N 2.88Å; N863-Q867 PolarHBondContact OD1-O 2.93Å | ||
| 864 | N | 87.2 | Confident | 86.9 | Confident | 119 Ų | 119 | 43.2 Ų | 43.2 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.8 | -178.4 | -67.5 | -19.2 | 0 | 0 | 0 | 113.5 | C831 D832 | C831-N864 PolarHBondContact O-ND2 3.22Å; D832-N864 VanDerWaalsContact C-CG 3.45Å; D832-N864 WeakPolarHBondContact CA-ND2 3.24Å; D832-N864 WeakPolarHBondContact O-CB 3.48Å; D832-N864 PolarHBondContact O-N 2.87Å; D832-N864 PolarHBondContact O-ND2 2.74Å |
| 865 | A | 83.7 | Confident | 86.8 | Confident | 64 Ų | 64 | 38 Ų | 38 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N863 Q867 | N863-A865 PolarHBondContact O-N 3.45Å; N863-A865 WeakPolarHBondContact OD1-CB 3.27Å; N863-A865 PolarHBondContact OD1-N 3.08Å; N863-A865 VanDerWaalsContact OD1-N 3.12Å; A865-Q867 HydrophobicContact CB-CG 4.38Å |
| 866 | G | 83.1 | Confident | 86.8 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | trans | 76.3 | 21.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N863 P901 | N863-G866 WeakPolarHBondContact O-CA 3.48Å; N863-G866 PolarHBondContact O-N 3.42Å; N863-G866 PolarHBondContact OD1-N 3.02Å; G866-P901 WeakPolarHBondContact O-CD 3.41Å | ||
| 867 | Q | 87.7 | Confident | 86.4 | Confident | 33 Ų | 33 | 33.5 Ų | 33.5 | 15% | 0.154 | 20% | 0.198 | C | C | . | . | trans | -95.5 | 140.5 | 179.2 | -67.4 | -176.9 | -17.1 | 0 | 0 | 110.5 | H838 L862 N863 A865 H871 Q900 | H838-Q867 PolarHBondContact NE2-O 3.19Å; L862-Q867 VanDerWaalsContact CA-O 3.29Å; L862-Q867 WeakPolarHBondContact CA-O 3.31Å; N863-Q867 PolarHBondContact N-O 3.16Å; N863-Q867 PolarHBondContact OD1-N 2.88Å; N863-Q867 PolarHBondContact OD1-O 2.93Å; A865-Q867 HydrophobicContact CB-CG 4.38Å; Q867-H871 HydrophobicContact CB-CB 3.88Å; Q867-H871 HydrophobicContact CG-CB 4.06Å; Q867-Q900 VanDerWaalsContact CG-OE1 3.31Å | ||
| 868 | N | 88.1 | Confident | 86.1 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | trans | -91.5 | 175.4 | 166.8 | 64.6 | 21.7 | 0 | 0 | 0 | 109.7 | L862 L870 H871 C872 | L862-N868 HydrophobicContact CD2-CB 3.69Å; N868-L870 PolarHBondContact O-N 3.39Å; N868-L870 PolarHBondContact OD1-N 2.97Å; N868-L870 VanDerWaalsContact OD1-N 3.15Å; N868-H871 PolarHBondContact O-N 3.03Å; N868-H871 VanDerWaalsContact O-N 3.15Å; N868-H871 WeakPolarHBondContact OD1-CB 3.21Å; N868-H871 PolarHBondContact OD1-N 3.24Å; N868-H871 PolarHBondContact OD1-ND1 3.49Å; N868-C872 WeakPolarHBondContact O-CB 3.32Å; N868-C872 PolarHBondContact O-N 2.92Å | ||
| 869 | S | 90.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.3 | -35.9 | 179.7 | -52.9 | 0 | 0 | 0 | 0 | 113.5 | H838 A873 | H838-S869 PolarHBondContact NE2-N 3.41Å; S869-A873 WeakPolarHBondContact O-CB 3.49Å; S869-A873 PolarHBondContact O-N 3.47Å |
| 870 | L | 90.7 | Very high | 86.1 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.8 | -39.7 | 179.6 | -171.7 | 64.7 | 0 | 0 | 0 | 112.4 | N868 T874 I882 L886 V896 A906 L922 | N868-L870 PolarHBondContact O-N 3.39Å; N868-L870 PolarHBondContact OD1-N 2.97Å; N868-L870 VanDerWaalsContact OD1-N 3.15Å; L870-T874 WeakPolarHBondContact O-CB 3.4Å; L870-T874 PolarHBondContact O-N 3.13Å; L870-T874 PolarHBondContact O-OG1 2.94Å; L870-I882 HydrophobicContact CD1-CG2 4.33Å; L870-L886 HydrophobicContact CD1-CD2 4.13Å; L870-L886 HydrophobicContact CD1-CG 4.33Å; L870-L886 HydrophobicContact CD2-CD2 4.27Å; L870-V896 HydrophobicContact CD2-CB 4.47Å; L870-V896 HydrophobicContact CD2-CG2 4.26Å; L870-A906 HydrophobicContact CD2-CB 4.14Å; L870-A906 HydrophobicContact CG-CB 4.1Å; L870-L922 HydrophobicContact CD1-CD2 4.25Å; L870-L922 HydrophobicContact CD2-CD2 4.06Å; L870-L922 HydrophobicContact CG-CD2 4.38Å |
| 871 | H | 89.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 170.7 | -69.5 | 149.2 | 0 | 0 | 0 | 110.8 | Q867 N868 A873 T874 V875 E898 Q900 A906 L909 | Q867-H871 HydrophobicContact CB-CB 3.88Å; Q867-H871 HydrophobicContact CG-CB 4.06Å; N868-H871 PolarHBondContact O-N 3.03Å; N868-H871 VanDerWaalsContact O-N 3.15Å; N868-H871 WeakPolarHBondContact OD1-CB 3.21Å; N868-H871 PolarHBondContact OD1-N 3.24Å; N868-H871 PolarHBondContact OD1-ND1 3.49Å; H871-A873 PolarHBondContact O-N 3.13Å; H871-T874 PolarHBondContact O-N 3.28Å; H871-V875 WeakPolarHBondContact O-CG2 3.28Å; H871-V875 PolarHBondContact O-N 2.94Å; H871-E898 PolarHBondContact CE1-O 3.04Å; H871-E898 VanDerWaalsContact CE1-O 3.32Å; H871-E898 PolarHBondContact NE2-O 2.96Å; H871-Q900 PolarHBondContact CE1-N 3.22Å; H871-A906 PolarHBondContact CD2-N 3.01Å; H871-A906 PolarHBondContact NE2-N 3.33Å; H871-A906 VanDerWaalsContact NE2-N 3.15Å; H871-L909 HydrophobicContact CB-CD1 4.25Å |
| 872 | C | 88.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59 | -47.2 | 177.3 | -175 | 0 | 0 | 0 | 0 | 111.8 | I841 N868 T874 V875 H876 | I841-C872 HydrophobicContact CG2-CB 4.21Å; N868-C872 WeakPolarHBondContact O-CB 3.32Å; N868-C872 PolarHBondContact O-N 2.92Å; C872-T874 VanDerWaalsContact C-N 3.33Å; C872-T874 PolarHBondContact O-N 3.25Å; C872-V875 PolarHBondContact O-N 2.71Å; C872-H876 PolarHBondContact O-N 3.13Å; C872-H876 PolarHBondContact O-ND1 3.2Å; C872-H876 VanDerWaalsContact SG-CE1 3.52Å; C872-H876 PolarHBondContact SG-ND1 3.04Å; C872-H876 VanDerWaalsContact SG-ND1 3.4Å |
| 873 | A | 90.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.5 | -36.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I841 S869 H871 G877 G878 I881 I882 L885 | I841-A873 HydrophobicContact CG2-CB 3.95Å; S869-A873 WeakPolarHBondContact O-CB 3.49Å; S869-A873 PolarHBondContact O-N 3.47Å; H871-A873 PolarHBondContact O-N 3.13Å; A873-G877 PolarHBondContact O-N 3.38Å; A873-G878 PolarHBondContact O-N 2.99Å; A873-I881 HydrophobicContact CB-CG2 3.67Å; A873-I882 HydrophobicContact CB-CG1 3.88Å; A873-L885 HydrophobicContact CB-CD1 3.64Å |
| 874 | T | 89.6 | Confident | 86.3 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.9 | -36.4 | 176.9 | -55.5 | 0 | 0 | 0 | 0 | 112.8 | L870 H871 C872 G877 L909 A910 | L870-T874 WeakPolarHBondContact O-CB 3.4Å; L870-T874 PolarHBondContact O-N 3.13Å; L870-T874 PolarHBondContact O-OG1 2.94Å; H871-T874 PolarHBondContact O-N 3.28Å; C872-T874 VanDerWaalsContact C-N 3.33Å; C872-T874 PolarHBondContact O-N 3.25Å; T874-G877 PolarHBondContact O-N 3.05Å; T874-L909 HydrophobicContact CG2-CB 3.74Å; T874-A910 HydrophobicContact CG2-CB 3.81Å |
| 875 | V | 86.4 | Confident | 86.3 | Confident | 59 Ų | 59 | 22.6 Ų | 22.6 | 36% | 0.358 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -69.3 | -45.6 | 175.9 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | H871 C872 G877 L909 | H871-V875 WeakPolarHBondContact O-CG2 3.28Å; H871-V875 PolarHBondContact O-N 2.94Å; C872-V875 PolarHBondContact O-N 2.71Å; V875-G877 PolarHBondContact O-N 3.43Å; V875-L909 HydrophobicContact CG2-CD1 4.18Å; V875-L909 HydrophobicContact CG2-CD2 4.33Å |
| 876 | H | 83 | Confident | 86.4 | Confident | 83 Ų | 83 | 20.2 Ų | 20.2 | 38% | 0.384 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -72.7 | -16.2 | 176.2 | -68.5 | 97.8 | 0 | 0 | 0 | 113.2 | S842 Q844 C872 | S842-H876 PolarHBondContact OG-CE1 2.87Å; Q844-H876 PolarHBondContact NE2-O 3.37Å; C872-H876 PolarHBondContact O-N 3.13Å; C872-H876 PolarHBondContact O-ND1 3.2Å; C872-H876 VanDerWaalsContact SG-CE1 3.52Å; C872-H876 PolarHBondContact SG-ND1 3.04Å; C872-H876 VanDerWaalsContact SG-ND1 3.4Å |
| 877 | G | 73.8 | Confident | 86.4 | Confident | 29 Ų | 29 | 23.7 Ų | 23.7 | 30% | 0.299 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 13.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A873 T874 V875 T879 | A873-G877 PolarHBondContact O-N 3.38Å; T874-G877 PolarHBondContact O-N 3.05Å; V875-G877 PolarHBondContact O-N 3.43Å; G877-T879 PolarHBondContact O-N 3.49Å |
| 878 | G | 77.3 | Confident | 86 | Confident | 9 Ų | 9 | 25.5 Ų | 25.5 | 9% | 0.093 | 14% | 0.136 | C | C | . | . | trans | -72.3 | 87.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A873 E880 I881 I882 | A873-G878 PolarHBondContact O-N 2.99Å; G878-E880 VanDerWaalsContact C-N 3.28Å; G878-E880 PolarHBondContact O-N 3.39Å; G878-I881 WeakPolarHBondContact O-CB 3.42Å; G878-I881 PolarHBondContact O-N 2.85Å; G878-I881 VanDerWaalsContact O-N 3.08Å; G878-I882 WeakPolarHBondContact O-CG1 3.37Å; G878-I882 PolarHBondContact O-N 3.16Å | ||
| 879 | T | 84 | Confident | 85.1 | Confident | 36 Ų | 36 | 25.5 Ų | 25.5 | 22% | 0.221 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.4 | -37.8 | -177.3 | 50.5 | 0 | 0 | 0 | 0 | 113 | G877 I882 R883 E917 | G877-T879 PolarHBondContact O-N 3.49Å; T879-I882 WeakPolarHBondContact O-CB 3.4Å; T879-I882 PolarHBondContact O-N 2.93Å; T879-R883 PolarHBondContact O-N 2.67Å; T879-E917 HydrophobicContact CG2-CB 3.91Å |
| 880 | E | 85.7 | Confident | 83.7 | Confident | 101 Ų | 101 | 29.5 Ų | 29.5 | 47% | 0.472 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -68.1 | -40 | 175 | -162.6 | 67.2 | -178.6 | 0 | 0 | 112.5 | T846 G878 I882 R883 L884 | T846-E880 HydrophobicContact CG2-CB 4.07Å; T846-E880 HydrophobicContact CG2-CG 4Å; G878-E880 VanDerWaalsContact C-N 3.28Å; G878-E880 PolarHBondContact O-N 3.39Å; E880-I882 PolarHBondContact O-N 3.2Å; E880-R883 WeakPolarHBondContact O-CB 3.08Å; E880-R883 PolarHBondContact O-N 2.88Å; E880-R883 VanDerWaalsContact O-N 3.17Å; E880-R883 WeakPolarHBondContact OE2-CD 3.16Å; E880-R883 IonicContact OE2-NE 3.02Å; E880-L884 WeakPolarHBondContact O-CG 3.45Å; E880-L884 PolarHBondContact O-N 2.85Å |
| 881 | I | 89 | Confident | 82.1 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -35.6 | 173.2 | -66.8 | -177.9 | 0 | 0 | 0 | 110.3 | I841 Q844 T846 V849 A873 G878 L885 | I841-I881 HydrophobicContact CG1-CG2 3.89Å; I841-I881 HydrophobicContact CG2-CG2 4.31Å; Q844-I881 VanDerWaalsContact OE1-CD1 3.32Å; T846-I881 HydrophobicContact CG2-CG1 3.91Å; V849-I881 HydrophobicContact CG1-CG2 4.35Å; V849-I881 HydrophobicContact CG2-CD1 4.16Å; V849-I881 HydrophobicContact CG2-CG1 4.46Å; A873-I881 HydrophobicContact CB-CG2 3.67Å; G878-I881 WeakPolarHBondContact O-CB 3.42Å; G878-I881 PolarHBondContact O-N 2.85Å; G878-I881 VanDerWaalsContact O-N 3.08Å; I881-L885 HydrophobicContact CG2-CD1 3.89Å; I881-L885 HydrophobicContact CG2-CG 4.35Å; I881-L885 VanDerWaalsContact O-CB 3.3Å; I881-L885 WeakPolarHBondContact O-CB 3.44Å; I881-L885 WeakPolarHBondContact O-CG 3.24Å; I881-L885 PolarHBondContact O-N 3.22Å |
| 882 | I | 89.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 174.1 | -64.9 | 166.6 | 0 | 0 | 0 | 111.1 | L870 A873 G878 T879 E880 L886 A918 L921 | L870-I882 HydrophobicContact CD1-CG2 4.33Å; A873-I882 HydrophobicContact CB-CG1 3.88Å; G878-I882 WeakPolarHBondContact O-CG1 3.37Å; G878-I882 PolarHBondContact O-N 3.16Å; T879-I882 WeakPolarHBondContact O-CB 3.4Å; T879-I882 PolarHBondContact O-N 2.93Å; E880-I882 PolarHBondContact O-N 3.2Å; I882-L886 HydrophobicContact CG2-CD1 3.63Å; I882-L886 HydrophobicContact CG2-CG 4.19Å; I882-L886 VanDerWaalsContact O-CB 3.31Å; I882-L886 WeakPolarHBondContact O-CB 3.34Å; I882-L886 WeakPolarHBondContact O-CG 3.42Å; I882-L886 PolarHBondContact O-N 2.87Å; I882-A918 HydrophobicContact CD1-CB 3.7Å; I882-L921 HydrophobicContact CG2-CB 4.25Å; I882-L921 HydrophobicContact CG2-CD1 4.24Å |
| 883 | R | 86.9 | Confident | 79.8 | Confident | 19 Ų | 19 | 36.7 Ų | 36.7 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.8 | -57.4 | 171.6 | -67.6 | 179 | -170.2 | -82 | -12.9 | 111.2 | T879 E880 L885 L886 E887 L921 L1085 V1086 | T879-R883 PolarHBondContact O-N 2.67Å; E880-R883 WeakPolarHBondContact O-CB 3.08Å; E880-R883 PolarHBondContact O-N 2.88Å; E880-R883 VanDerWaalsContact O-N 3.17Å; E880-R883 WeakPolarHBondContact OE2-CD 3.16Å; E880-R883 IonicContact OE2-NE 3.02Å; R883-L885 VanDerWaalsContact C-N 3.28Å; R883-L885 PolarHBondContact O-N 3.21Å; R883-L886 PolarHBondContact O-N 3.06Å; R883-E887 WeakPolarHBondContact O-CG 3.09Å; R883-E887 PolarHBondContact O-N 3.38Å; R883-L921 HydrophobicContact CG-CD1 3.65Å; R883-L921 HydrophobicContact CG-CD2 3.7Å; R883-L921 HydrophobicContact CG-CG 4.35Å; R883-L1085 PolarHBondContact NH1-O 2.86Å; R883-V1086 VanDerWaalsContact NH1-C 3.27Å; R883-V1086 PolarHBondContact NH1-O 2.89Å |
| 884 | L | 87.4 | Confident | 79 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.6 | -41.5 | -178.3 | -68.4 | 169.6 | 0 | 0 | 0 | 112 | T846 E850 L853 E880 H888 | T846-L884 HydrophobicContact CG2-CD1 4.37Å; E850-L884 HydrophobicContact CG-CD1 3.85Å; E850-L884 HydrophobicContact CG-CD2 3.91Å; L853-L884 HydrophobicContact CD1-CB 4.19Å; E880-L884 WeakPolarHBondContact O-CG 3.45Å; E880-L884 PolarHBondContact O-N 2.85Å; L884-H888 PolarHBondContact O-N 3.12Å; L884-H888 PolarHBondContact O-ND1 3.1Å |
| 885 | L | 88.1 | Confident | 78.5 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -49.1 | 173.3 | -75.3 | 170 | 0 | 0 | 0 | 111.7 | L837 I841 L853 L859 A873 I881 R883 E887 H888 C889 | L837-L885 HydrophobicContact CD2-CD2 4.5Å; I841-L885 HydrophobicContact CD1-CD1 4.1Å; L853-L885 HydrophobicContact CD1-CD2 4.34Å; L853-L885 HydrophobicContact CD2-CD2 4.04Å; L859-L885 HydrophobicContact CD1-CD2 4.34Å; L859-L885 HydrophobicContact CD2-CD2 3.89Å; A873-L885 HydrophobicContact CB-CD1 3.64Å; I881-L885 HydrophobicContact CG2-CD1 3.89Å; I881-L885 HydrophobicContact CG2-CG 4.35Å; I881-L885 VanDerWaalsContact O-CB 3.3Å; I881-L885 WeakPolarHBondContact O-CB 3.44Å; I881-L885 WeakPolarHBondContact O-CG 3.24Å; I881-L885 PolarHBondContact O-N 3.22Å; R883-L885 VanDerWaalsContact C-N 3.28Å; R883-L885 PolarHBondContact O-N 3.21Å; L885-E887 VanDerWaalsContact C-N 3.34Å; L885-E887 PolarHBondContact O-N 3.42Å; L885-H888 CarbonylContact O-C 3.57Å; L885-H888 PolarHBondContact O-N 3.02Å; L885-H888 VanDerWaalsContact O-N 3.17Å; L885-C889 WeakPolarHBondContact O-CB 3.33Å; L885-C889 PolarHBondContact O-N 2.93Å; L885-C889 PolarHBondContact O-SG 2.9Å |
| 886 | L | 85.5 | Confident | 78.2 | Confident | 13 Ų | 13 | 41 Ų | 41 | 7% | 0.068 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -34.5 | -176.1 | -71.6 | 173.1 | 0 | 0 | 0 | 113.2 | L870 I882 R883 C889 V896 L921 L922 A925 L1085 | L870-L886 HydrophobicContact CD1-CD2 4.13Å; L870-L886 HydrophobicContact CD1-CG 4.33Å; L870-L886 HydrophobicContact CD2-CD2 4.27Å; I882-L886 HydrophobicContact CG2-CD1 3.63Å; I882-L886 HydrophobicContact CG2-CG 4.19Å; I882-L886 VanDerWaalsContact O-CB 3.31Å; I882-L886 WeakPolarHBondContact O-CB 3.34Å; I882-L886 WeakPolarHBondContact O-CG 3.42Å; I882-L886 PolarHBondContact O-N 2.87Å; R883-L886 PolarHBondContact O-N 3.06Å; L886-C889 PolarHBondContact O-N 2.83Å; L886-V896 HydrophobicContact CD2-CG2 3.87Å; L886-L921 HydrophobicContact CD1-CB 4.05Å; L886-L922 HydrophobicContact CD1-CD2 4.34Å; L886-L922 HydrophobicContact CD2-CD2 4.4Å; L886-A925 HydrophobicContact CD1-CB 3.99Å; L886-A925 HydrophobicContact CD2-CB 3.8Å; L886-A925 HydrophobicContact CG-CB 4.33Å; L886-L1085 HydrophobicContact CB-CD2 3.9Å; L886-L1085 HydrophobicContact CD1-CD2 4.43Å |
| 887 | E | 83.2 | Confident | 78.2 | Confident | 82 Ų | 82 | 39.4 Ų | 39.4 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 171.5 | -71.6 | 162.9 | -166.7 | 0 | 0 | 111.5 | R883 L885 S890 | R883-E887 WeakPolarHBondContact O-CG 3.09Å; R883-E887 PolarHBondContact O-N 3.38Å; L885-E887 VanDerWaalsContact C-N 3.34Å; L885-E887 PolarHBondContact O-N 3.42Å; E887-S890 WeakPolarHBondContact O-CB 3.4Å; E887-S890 PolarHBondContact O-OG 2.96Å |
| 888 | H | 78 | Confident | 78.6 | Confident | 70 Ų | 70 | 40.8 Ų | 40.8 | 32% | 0.324 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -78.2 | -18.2 | 176.8 | -65.7 | 77.9 | 0 | 0 | 0 | 113.3 | L853 L884 L885 S890 | L853-H888 HydrophobicContact CD2-CB 4.33Å; L884-H888 PolarHBondContact O-N 3.12Å; L884-H888 PolarHBondContact O-ND1 3.1Å; L885-H888 CarbonylContact O-C 3.57Å; L885-H888 PolarHBondContact O-N 3.02Å; L885-H888 VanDerWaalsContact O-N 3.17Å; H888-S890 PolarHBondContact O-N 3.4Å |
| 889 | C | 69.2 | Low | 78.9 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.034 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -74.2 | -1.8 | 173.2 | -74.1 | 0 | 0 | 0 | 0 | 113.9 | L859 L885 L886 S891 T892 I895 | L859-C889 VanDerWaalsContact CD1-SG 3.54Å; L885-C889 WeakPolarHBondContact O-CB 3.33Å; L885-C889 PolarHBondContact O-N 2.93Å; L885-C889 PolarHBondContact O-SG 2.9Å; L886-C889 PolarHBondContact O-N 2.83Å; C889-S891 PolarHBondContact O-N 2.74Å; C889-S891 VanDerWaalsContact O-N 3.16Å; C889-T892 CarbonylContact O-C 3.56Å; C889-T892 VanDerWaalsContact O-C 3.26Å; C889-T892 WeakPolarHBondContact O-CA 3.42Å; C889-T892 PolarHBondContact O-N 3.39Å; C889-T892 PolarHBondContact O-OG1 3.39Å; C889-I895 HydrophobicContact CB-CG2 4.16Å |
| 890 | S | 61.9 | Low | 78.6 | Confident | 85 Ų | 85 | 43 Ų | 43 | 59% | 0.594 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -53.3 | -31.9 | 175.4 | 48 | 0 | 0 | 0 | 0 | 113.2 | E887 H888 T892 | E887-S890 WeakPolarHBondContact O-CB 3.4Å; E887-S890 PolarHBondContact O-OG 2.96Å; H888-S890 PolarHBondContact O-N 3.4Å; S890-T892 VanDerWaalsContact C-N 3.34Å |
| 891 | S | 56.8 | Low | 78.1 | Confident | 48 Ų | 48 | 43.3 Ų | 43.3 | 34% | 0.336 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -78 | -10 | 173.9 | -40.7 | 0 | 0 | 0 | 0 | 115.1 | C889 | C889-S891 PolarHBondContact O-N 2.74Å; C889-S891 VanDerWaalsContact O-N 3.16Å |
| 892 | T | 63.3 | Low | 77.2 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | trans | -143.2 | 43.9 | -170.4 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | C889 S890 W894 I895 | C889-T892 CarbonylContact O-C 3.56Å; C889-T892 VanDerWaalsContact O-C 3.26Å; C889-T892 WeakPolarHBondContact O-CA 3.42Å; C889-T892 PolarHBondContact O-N 3.39Å; C889-T892 PolarHBondContact O-OG1 3.39Å; S890-T892 VanDerWaalsContact C-N 3.34Å; T892-W894 HydrophobicContact CG2-CH2 3.79Å; T892-W894 HydrophobicContact CG2-CZ2 3.91Å; T892-W894 PolarHBondContact O-N 3.32Å; T892-I895 WeakPolarHBondContact O-CB 3.42Å; T892-I895 VanDerWaalsContact O-CG2 3.25Å; T892-I895 WeakPolarHBondContact O-CG2 3.34Å; T892-I895 PolarHBondContact O-N 2.91Å | ||
| 893 | P | 66.9 | Low | 76.6 | Confident | 79 Ų | 79 | 47.1 Ų | 47.1 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -60.6 | -20.1 | -164.4 | 24.4 | -36.3 | 0 | 0 | 0 | 115.9 | I895 | P893-I895 PolarHBondContact O-N 3.01Š|
| 894 | W | 73.2 | Confident | 76.4 | Confident | 144 Ų | 144 | 46.3 Ų | 46.3 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -65.6 | -17.9 | 176.2 | 65.8 | 83.9 | 0 | 0 | 0 | 113.8 | T892 V896 D897 | T892-W894 HydrophobicContact CG2-CH2 3.79Å; T892-W894 HydrophobicContact CG2-CZ2 3.91Å; T892-W894 PolarHBondContact O-N 3.32Å; W894-V896 PolarHBondContact O-N 3.19Å; W894-D897 PolarHBondContact O-N 3.22Å |
| 895 | I | 78.7 | Confident | 76.4 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -62.1 | -24.4 | -177.3 | -164.7 | 170.4 | 0 | 0 | 0 | 113.3 | L859 C889 T892 P893 D897 E898 | L859-I895 HydrophobicContact CB-CD1 3.72Å; L859-I895 WeakPolarHBondContact O-CD1 3.24Å; C889-I895 HydrophobicContact CB-CG2 4.16Å; T892-I895 WeakPolarHBondContact O-CB 3.42Å; T892-I895 VanDerWaalsContact O-CG2 3.25Å; T892-I895 WeakPolarHBondContact O-CG2 3.34Å; T892-I895 PolarHBondContact O-N 2.91Å; P893-I895 PolarHBondContact O-N 3.01Å; I895-D897 VanDerWaalsContact C-N 3.29Å; I895-D897 PolarHBondContact O-N 3.21Å; I895-E898 PolarHBondContact O-N 2.81Å |
| 896 | V | 81.7 | Confident | 76.4 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -65.8 | -31.6 | -178.6 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | L870 L886 W894 L922 A927 | L870-V896 HydrophobicContact CD2-CB 4.47Å; L870-V896 HydrophobicContact CD2-CG2 4.26Å; L886-V896 HydrophobicContact CD2-CG2 3.87Å; W894-V896 PolarHBondContact O-N 3.19Å; V896-L922 HydrophobicContact CG1-CD2 3.96Å; V896-A927 HydrophobicContact CG1-CB 3.45Å; V896-A927 VanDerWaalsContact CG1-CB 3.45Å |
| 897 | D | 83 | Confident | 76.7 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -107.8 | 7.6 | -177.1 | -83.5 | -6.8 | 0 | 0 | 0 | 113.4 | W894 I895 T905 A927 S928 L931 | W894-D897 PolarHBondContact O-N 3.22Å; I895-D897 VanDerWaalsContact C-N 3.29Å; I895-D897 PolarHBondContact O-N 3.21Å; D897-T905 WeakPolarHBondContact O-CG2 3.33Å; D897-A927 WeakPolarHBondContact OD1-CA 3.4Å; D897-S928 PolarHBondContact OD1-N 3.37Å; D897-S928 WeakPolarHBondContact OD2-CB 3.46Å; D897-S928 PolarHBondContact OD2-N 2.88Å; D897-S928 PolarHBondContact OD2-OG 3.47Å; D897-L931 HydrophobicContact CB-CD1 3.81Å; D897-L931 VanDerWaalsContact CG-CD1 3.41Å; D897-L931 WeakPolarHBondContact OD1-CD1 3.23Å |
| 898 | E | 81.8 | Confident | 77 | Confident | 58 Ų | 58 | 41 Ų | 41 | 27% | 0.271 | 23% | 0.233 | S | C | . | . | trans | -71.6 | 152.6 | 170.6 | -75.2 | -63.3 | 154 | 0 | 0 | 111.7 | H871 I895 T905 R1051 | H871-E898 PolarHBondContact CE1-O 3.04Å; H871-E898 VanDerWaalsContact CE1-O 3.32Å; H871-E898 PolarHBondContact NE2-O 2.96Å; I895-E898 PolarHBondContact O-N 2.81Å; E898-T905 WeakPolarHBondContact O-CG2 3.06Å; E898-R1051 VanDerWaalsContact CD-NH2 3.27Å; E898-R1051 IonicContact OE1-CZ 2.73Å; E898-R1051 IonicContact OE1-NE 3.38Å; E898-R1051 IonicContact OE1-NH2 3.34Å; E898-R1051 PolarHBondContact OE1-NH2 3.35Å; E898-R1051 IonicContact OE2-NH2 3.26Å; E898-R1051 PolarHBondContact OE2-NH2 3.37Å | ||
| 899 | T | 82.6 | Confident | 77.4 | Confident | 77 Ų | 77 | 38.3 Ų | 38.3 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | trans | -111.4 | 131.7 | -173.3 | 57.3 | 0 | 0 | 0 | 0 | 112.9 | G903 L904 T905 | T899-G903 VanDerWaalsContact CG2-O 3.29Å; T899-G903 WeakPolarHBondContact CG2-O 3.42Å; T899-L904 CarbonylContact C-O 3.48Å; T899-L904 VanDerWaalsContact CA-O 3.24Å; T899-L904 WeakPolarHBondContact CA-O 3.39Å; T899-T905 HydrophobicContact CG2-CG2 3.68Å | ||
| 900 | Q | 79 | Confident | 78.4 | Confident | 15 Ų | 15 | 38 Ų | 38 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | trans | -68.5 | 166 | 164.3 | 49.5 | 157.4 | 43.9 | 0 | 0 | 111.4 | Q867 H871 D902 G903 L904 | Q867-Q900 VanDerWaalsContact CG-OE1 3.31Å; H871-Q900 PolarHBondContact CE1-N 3.22Å; Q900-D902 VanDerWaalsContact C-N 3.29Å; Q900-D902 WeakPolarHBondContact CG-OD1 3.49Å; Q900-D902 PolarHBondContact NE2-OD1 2.7Å; Q900-D902 PolarHBondContact NE2-OD2 2.79Å; Q900-D902 PolarHBondContact O-N 2.9Å; Q900-D902 VanDerWaalsContact O-N 3.1Å; Q900-G903 WeakPolarHBondContact O-CA 3.04Å; Q900-G903 PolarHBondContact O-N 3.01Å; Q900-L904 HydrophobicContact CG-CB 4.13Å; Q900-L904 WeakPolarHBondContact CG-O 3.24Å; Q900-L904 PolarHBondContact N-O 2.89Å | ||
| 901 | P | 73.8 | Confident | 79.8 | Confident | 107 Ų | 107 | 34 Ų | 34 | 70% | 0.695 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.4 | -167.7 | -28.8 | 36.8 | 0 | 0 | 0 | 117.7 | G866 | G866-P901 WeakPolarHBondContact O-CD 3.41Š|
| 902 | D | 71.6 | Confident | 81.2 | Confident | 62 Ų | 62 | 32.9 Ų | 32.9 | 33% | 0.332 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -11 | 171.2 | 72.3 | -12.6 | 0 | 0 | 0 | 113 | Q900 L904 | Q900-D902 VanDerWaalsContact C-N 3.29Å; Q900-D902 WeakPolarHBondContact CG-OD1 3.49Å; Q900-D902 PolarHBondContact NE2-OD1 2.7Å; Q900-D902 PolarHBondContact NE2-OD2 2.79Å; Q900-D902 PolarHBondContact O-N 2.9Å; Q900-D902 VanDerWaalsContact O-N 3.1Å; D902-L904 WeakPolarHBondContact OD1-CB 3.32Å; D902-L904 WeakPolarHBondContact OD1-CG 3.16Å; D902-L904 PolarHBondContact OD1-N 2.79Å; D902-L904 WeakPolarHBondContact OD2-CG 3.34Å |
| 903 | G | 75.2 | Confident | 82.2 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 102.9 | -6.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T899 Q900 V933 | T899-G903 VanDerWaalsContact CG2-O 3.29Å; T899-G903 WeakPolarHBondContact CG2-O 3.42Å; Q900-G903 WeakPolarHBondContact O-CA 3.04Å; Q900-G903 PolarHBondContact O-N 3.01Å; G903-V933 WeakPolarHBondContact O-CB 3.35Å; G903-V933 WeakPolarHBondContact O-CG1 3.46Å |
| 904 | L | 83.3 | Confident | 83.2 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | -74.8 | 146.4 | -178.5 | -61.7 | -171.5 | 0 | 0 | 0 | 112.9 | T899 Q900 D902 H908 L909 L912 V933 P936 L959 | T899-L904 CarbonylContact C-O 3.48Å; T899-L904 VanDerWaalsContact CA-O 3.24Å; T899-L904 WeakPolarHBondContact CA-O 3.39Å; Q900-L904 HydrophobicContact CG-CB 4.13Å; Q900-L904 WeakPolarHBondContact CG-O 3.24Å; Q900-L904 PolarHBondContact N-O 2.89Å; D902-L904 WeakPolarHBondContact OD1-CB 3.32Å; D902-L904 WeakPolarHBondContact OD1-CG 3.16Å; D902-L904 PolarHBondContact OD1-N 2.79Å; D902-L904 WeakPolarHBondContact OD2-CG 3.34Å; L904-H908 HydrophobicContact CB-CB 4.12Å; L904-H908 HydrophobicContact CD2-CB 3.82Å; L904-H908 HydrophobicContact CG-CB 4.42Å; L904-L909 HydrophobicContact CB-CD2 4.5Å; L904-L909 HydrophobicContact CB-CG 4.28Å; L904-L909 HydrophobicContact CD1-CD2 3.68Å; L904-L909 HydrophobicContact CD1-CG 4.21Å; L904-L912 HydrophobicContact CD1-CD2 4.3Å; L904-V933 HydrophobicContact CD2-CB 4.29Å; L904-V933 HydrophobicContact CD2-CG2 3.64Å; L904-P936 HydrophobicContact CD1-CB 4.49Å; L904-P936 HydrophobicContact CD1-CG 3.76Å; L904-P936 HydrophobicContact CD2-CG 3.51Å; L904-P936 HydrophobicContact CG-CG 3.77Å; L904-L959 HydrophobicContact CD2-CD1 4.25Å | ||
| 905 | T | 87.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | trans | -98.4 | 170.1 | 163.8 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | D897 E898 T899 L907 H908 L909 L931 | D897-T905 WeakPolarHBondContact O-CG2 3.33Å; E898-T905 WeakPolarHBondContact O-CG2 3.06Å; T899-T905 HydrophobicContact CG2-CG2 3.68Å; T905-L907 VanDerWaalsContact C-N 3.27Å; T905-L907 PolarHBondContact O-N 2.84Å; T905-H908 WeakPolarHBondContact O-CB 3.47Å; T905-H908 PolarHBondContact O-N 3.42Å; T905-H908 PolarHBondContact OG1-ND1 2.95Å; T905-L909 PolarHBondContact O-N 2.95Å; T905-L909 VanDerWaalsContact O-N 3.08Å; T905-L931 HydrophobicContact CG2-CD1 4.1Å | ||
| 906 | A | 88.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -50.6 | -44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L870 H871 H908 L909 A910 L922 | L870-A906 HydrophobicContact CD2-CB 4.14Å; L870-A906 HydrophobicContact CG-CB 4.1Å; H871-A906 PolarHBondContact CD2-N 3.01Å; H871-A906 PolarHBondContact NE2-N 3.33Å; H871-A906 VanDerWaalsContact NE2-N 3.15Å; A906-H908 VanDerWaalsContact C-N 3.28Å; A906-H908 PolarHBondContact O-N 2.85Å; A906-L909 PolarHBondContact O-N 3.34Å; A906-L909 VanDerWaalsContact O-N 3.15Å; A906-A910 WeakPolarHBondContact O-CB 3.34Å; A906-A910 PolarHBondContact O-N 3.4Å; A906-L922 HydrophobicContact CB-CD1 3.97Å; A906-L922 HydrophobicContact CB-CD2 3.95Å |
| 907 | L | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -33.4 | 178.6 | -175.2 | 62.8 | 0 | 0 | 0 | 112.9 | T905 S911 V919 L922 L923 A927 P929 P956 L972 | T905-L907 VanDerWaalsContact C-N 3.27Å; T905-L907 PolarHBondContact O-N 2.84Å; L907-S911 VanDerWaalsContact O-CB 3.3Å; L907-S911 WeakPolarHBondContact O-CB 3.26Å; L907-S911 PolarHBondContact O-N 3.15Å; L907-S911 PolarHBondContact O-OG 3.09Å; L907-V919 HydrophobicContact CD1-CB 4.5Å; L907-V919 HydrophobicContact CD1-CG1 4.03Å; L907-V919 HydrophobicContact CD1-CG2 4.4Å; L907-L922 HydrophobicContact CD1-CB 4.23Å; L907-L923 HydrophobicContact CD1-CD2 4.09Å; L907-L923 HydrophobicContact CD1-CG 4.05Å; L907-L923 HydrophobicContact CD2-CD2 3.84Å; L907-A927 HydrophobicContact CB-CB 4.14Å; L907-A927 HydrophobicContact CD2-CB 3.91Å; L907-A927 HydrophobicContact CG-CB 4.43Å; L907-P929 HydrophobicContact CD2-CB 4.37Å; L907-P956 HydrophobicContact CD2-CB 4.47Å; L907-P956 HydrophobicContact CD2-CG 4Å; L907-P956 HydrophobicContact CG-CB 4.2Å; L907-P956 HydrophobicContact CG-CG 4.05Å; L907-L972 HydrophobicContact CD1-CD2 4.48Å |
| 908 | H | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.4 | -41.4 | 174.4 | -69.8 | 83.4 | 0 | 0 | 0 | 112.1 | L904 T905 A906 S911 L912 V933 P956 L959 | L904-H908 HydrophobicContact CB-CB 4.12Å; L904-H908 HydrophobicContact CD2-CB 3.82Å; L904-H908 HydrophobicContact CG-CB 4.42Å; T905-H908 WeakPolarHBondContact O-CB 3.47Å; T905-H908 PolarHBondContact O-N 3.42Å; T905-H908 PolarHBondContact OG1-ND1 2.95Å; A906-H908 VanDerWaalsContact C-N 3.28Å; A906-H908 PolarHBondContact O-N 2.85Å; H908-S911 PolarHBondContact O-N 3.45Å; H908-L912 VanDerWaalsContact O-CB 3.27Å; H908-L912 WeakPolarHBondContact O-CB 3.45Å; H908-L912 PolarHBondContact O-N 2.83Å; H908-V933 VanDerWaalsContact CD2-CG2 3.47Å; H908-V933 WeakPolarHBondContact CD2-CG2 3.3Å; H908-V933 WeakPolarHBondContact CE1-CG1 3.36Å; H908-V933 WeakPolarHBondContact NE2-CG1 3.43Å; H908-P956 VanDerWaalsContact NE2-CD 3.26Å; H908-P956 WeakPolarHBondContact NE2-CD 3.38Å; H908-L959 HydrophobicContact CB-CD1 3.93Å |
| 909 | L | 87.4 | Confident | 85 | Confident | 13 Ų | 13 | 23.8 Ų | 23.8 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 176.5 | -70.3 | 165.9 | 0 | 0 | 0 | 111.3 | H871 T874 V875 L904 T905 A906 S911 L912 N913 | H871-L909 HydrophobicContact CB-CD1 4.25Å; T874-L909 HydrophobicContact CG2-CB 3.74Å; V875-L909 HydrophobicContact CG2-CD1 4.18Å; V875-L909 HydrophobicContact CG2-CD2 4.33Å; L904-L909 HydrophobicContact CB-CD2 4.5Å; L904-L909 HydrophobicContact CB-CG 4.28Å; L904-L909 HydrophobicContact CD1-CD2 3.68Å; L904-L909 HydrophobicContact CD1-CG 4.21Å; T905-L909 PolarHBondContact O-N 2.95Å; T905-L909 VanDerWaalsContact O-N 3.08Å; A906-L909 PolarHBondContact O-N 3.34Å; A906-L909 VanDerWaalsContact O-N 3.15Å; L909-S911 VanDerWaalsContact C-N 3.3Å; L909-S911 PolarHBondContact O-N 3.1Å; L909-L912 PolarHBondContact O-N 2.95Å; L909-N913 WeakPolarHBondContact O-CB 3.36Å; L909-N913 PolarHBondContact O-N 3.02Å |
| 910 | A | 90.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.1 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T874 A906 N913 G914 N915 A918 V919 L922 | T874-A910 HydrophobicContact CG2-CB 3.81Å; A906-A910 WeakPolarHBondContact O-CB 3.34Å; A906-A910 PolarHBondContact O-N 3.4Å; A910-N913 PolarHBondContact O-N 3.02Å; A910-G914 PolarHBondContact O-N 3.25Å; A910-N915 PolarHBondContact O-N 3.25Å; A910-N915 VanDerWaalsContact O-N 3.08Å; A910-A918 HydrophobicContact CB-CB 4.08Å; A910-V919 HydrophobicContact CB-CG2 3.62Å; A910-L922 HydrophobicContact CB-CD1 3.93Å |
| 911 | S | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.3 | -30.4 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 114 | L907 H908 L909 | L907-S911 VanDerWaalsContact O-CB 3.3Å; L907-S911 WeakPolarHBondContact O-CB 3.26Å; L907-S911 PolarHBondContact O-N 3.15Å; L907-S911 PolarHBondContact O-OG 3.09Å; H908-S911 PolarHBondContact O-N 3.45Å; L909-S911 VanDerWaalsContact C-N 3.3Å; L909-S911 PolarHBondContact O-N 3.1Å |
| 912 | L | 87 | Confident | 86.2 | Confident | 25 Ų | 25 | 14.4 Ų | 14.4 | 13% | 0.131 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -77.5 | -26.1 | 176.6 | -174.8 | 66.8 | 0 | 0 | 0 | 112.9 | L904 H908 L909 L939 L959 K963 | L904-L912 HydrophobicContact CD1-CD2 4.3Å; H908-L912 VanDerWaalsContact O-CB 3.27Å; H908-L912 WeakPolarHBondContact O-CB 3.45Å; H908-L912 PolarHBondContact O-N 2.83Å; L909-L912 PolarHBondContact O-N 2.95Å; L912-L939 HydrophobicContact CD1-CD2 4.35Å; L912-L959 HydrophobicContact CB-CD1 4.47Å; L912-K963 HydrophobicContact CD1-CD 4.48Å; L912-K963 HydrophobicContact CD1-CG 3.92Å |
| 913 | N | 85.4 | Confident | 86.9 | Confident | 72 Ų | 72 | 12 Ų | 12 | 39% | 0.385 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -89.8 | -17.5 | 175.7 | -74.4 | -9.8 | 0 | 0 | 0 | 113.2 | L909 A910 | L909-N913 WeakPolarHBondContact O-CB 3.36Å; L909-N913 PolarHBondContact O-N 3.02Å; A910-N913 PolarHBondContact O-N 3.02Å |
| 914 | G | 86.1 | Confident | 87.3 | Confident | 14 Ų | 14 | 13.2 Ų | 13.2 | 14% | 0.144 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 19.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A910 M916 H965 | A910-G914 PolarHBondContact O-N 3.25Å; G914-M916 PolarHBondContact O-N 2.84Å; G914-H965 VanDerWaalsContact CA-CE1 3.48Å; G914-H965 WeakPolarHBondContact CA-CE1 3.49Å |
| 915 | N | 86.6 | Confident | 87.1 | Confident | 35 Ų | 35 | 15 Ų | 15 | 19% | 0.187 | 9% | 0.085 | C | C | . | . | trans | -82.5 | 84.6 | -177.4 | -172 | -18.2 | 0 | 0 | 0 | 110.3 | A910 E917 A918 V919 | A910-N915 PolarHBondContact O-N 3.25Å; A910-N915 VanDerWaalsContact O-N 3.08Å; N915-E917 PolarHBondContact O-N 3.05Å; N915-E917 PolarHBondContact OD1-N 3.3Å; N915-A918 HydrophobicContact CB-CB 3.94Å; N915-A918 VanDerWaalsContact CG-CB 3.45Å; N915-A918 PolarHBondContact O-N 3.03Å; N915-A918 VanDerWaalsContact O-N 3.16Å; N915-A918 PolarHBondContact OD1-N 3.42Å; N915-V919 WeakPolarHBondContact O-CG2 3.29Å; N915-V919 PolarHBondContact O-N 3.05Å | ||
| 916 | M | 85.2 | Confident | 86.7 | Confident | 8 Ų | 8 | 17.5 Ų | 17.5 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -50.7 | -38.4 | 179.8 | -169.2 | -173.8 | -160.2 | 0 | 0 | 113.1 | G914 V919 D920 D967 V968 L971 L1095 K1096 | G914-M916 PolarHBondContact O-N 2.84Å; M916-V919 PolarHBondContact O-N 2.98Å; M916-D920 WeakPolarHBondContact O-CB 3.28Å; M916-D920 PolarHBondContact O-N 3.13Å; M916-D967 HydrophobicContact CE-CB 4.06Å; M916-D967 HydrophobicContact CG-CB 4.41Å; M916-D967 HydrophobicContact SD-CB 3.87Å; M916-V968 HydrophobicContact CB-CG2 4.47Å; M916-L971 HydrophobicContact CG-CD2 3.78Å; M916-L971 VanDerWaalsContact O-CD2 3.31Å; M916-L971 WeakPolarHBondContact O-CD2 3.41Å; M916-L1095 HydrophobicContact CE-CB 3.63Å; M916-L1095 HydrophobicContact CE-CD1 4.36Å; M916-K1096 HydrophobicContact CE-CB 4.36Å; M916-K1096 HydrophobicContact SD-CB 3.91Å; M916-K1096 HydrophobicContact SD-CD 4.35Å; M916-K1096 HydrophobicContact SD-CG 4.2Å |
| 917 | E | 85.9 | Confident | 86.5 | Confident | 49 Ų | 49 | 17.7 Ų | 17.7 | 23% | 0.229 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -76.2 | -36.9 | -177.5 | -67.3 | 170.8 | -151.3 | 0 | 0 | 111.9 | T879 N915 V919 D920 L921 P1088 K1096 | T879-E917 HydrophobicContact CG2-CB 3.91Å; N915-E917 PolarHBondContact O-N 3.05Å; N915-E917 PolarHBondContact OD1-N 3.3Å; E917-V919 VanDerWaalsContact C-N 3.35Å; E917-D920 PolarHBondContact O-N 3.08Å; E917-L921 WeakPolarHBondContact O-CB 3.24Å; E917-L921 WeakPolarHBondContact O-CD1 3.41Å; E917-L921 VanDerWaalsContact O-CG 3.24Å; E917-L921 WeakPolarHBondContact O-CG 3.43Å; E917-L921 PolarHBondContact O-N 2.9Å; E917-P1088 HydrophobicContact CG-CB 4.18Å; E917-K1096 IonicContact OE1-NZ 3.6Å; E917-K1096 PolarHBondContact OE1-NZ 2.98Å |
| 918 | A | 88.7 | Confident | 86 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.1 | -35.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I882 A910 N915 L922 | I882-A918 HydrophobicContact CD1-CB 3.7Å; A910-A918 HydrophobicContact CB-CB 4.08Å; N915-A918 HydrophobicContact CB-CB 3.94Å; N915-A918 VanDerWaalsContact CG-CB 3.45Å; N915-A918 PolarHBondContact O-N 3.03Å; N915-A918 VanDerWaalsContact O-N 3.16Å; N915-A918 PolarHBondContact OD1-N 3.42Å; A918-L922 WeakPolarHBondContact O-CB 2.98Å; A918-L922 WeakPolarHBondContact O-CD1 3.31Å; A918-L922 WeakPolarHBondContact O-CG 3.45Å; A918-L922 PolarHBondContact O-N 3.42Å |
| 919 | V | 89.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.4 | -46.4 | 173.9 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L907 A910 N915 M916 E917 L921 L922 L923 V968 L971 L972 | L907-V919 HydrophobicContact CD1-CB 4.5Å; L907-V919 HydrophobicContact CD1-CG1 4.03Å; L907-V919 HydrophobicContact CD1-CG2 4.4Å; A910-V919 HydrophobicContact CB-CG2 3.62Å; N915-V919 WeakPolarHBondContact O-CG2 3.29Å; N915-V919 PolarHBondContact O-N 3.05Å; M916-V919 PolarHBondContact O-N 2.98Å; E917-V919 VanDerWaalsContact C-N 3.35Å; V919-L921 VanDerWaalsContact C-N 3.34Å; V919-L921 PolarHBondContact O-N 3.23Å; V919-L922 PolarHBondContact O-N 3.07Å; V919-L923 HydrophobicContact CG1-CD1 3.52Å; V919-L923 HydrophobicContact CG1-CG 4.25Å; V919-L923 WeakPolarHBondContact O-CB 3.49Å; V919-L923 WeakPolarHBondContact O-CD1 3.3Å; V919-L923 WeakPolarHBondContact O-CG 3.3Å; V919-L923 PolarHBondContact O-N 3.06Å; V919-V968 HydrophobicContact CG1-CG1 4.4Å; V919-V968 HydrophobicContact CG2-CG1 4.09Å; V919-V968 HydrophobicContact CG2-CG2 4.42Å; V919-L971 HydrophobicContact CB-CD2 4Å; V919-L971 HydrophobicContact CG1-CD2 3.67Å; V919-L971 HydrophobicContact CG1-CG 4.15Å; V919-L972 HydrophobicContact CG1-CD2 4.33Å; V919-L972 HydrophobicContact CG1-CG 4.43Å |
| 920 | D | 86.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.8 | -47.5 | 175.8 | -173.4 | 42.3 | 0 | 0 | 0 | 110.9 | M916 E917 Q924 L971 S1089 C1092 | M916-D920 WeakPolarHBondContact O-CB 3.28Å; M916-D920 PolarHBondContact O-N 3.13Å; E917-D920 PolarHBondContact O-N 3.08Å; D920-Q924 WeakPolarHBondContact O-CB 3.29Å; D920-Q924 WeakPolarHBondContact O-CG 3.1Å; D920-Q924 PolarHBondContact O-N 3.05Å; D920-Q924 PolarHBondContact OD1-NE2 3.38Å; D920-Q924 PolarHBondContact OD2-NE2 3.31Å; D920-L971 HydrophobicContact CB-CD2 4.03Å; D920-S1089 VanDerWaalsContact CG-OG 3.27Å; D920-S1089 WeakPolarHBondContact OD1-CB 3.41Å; D920-S1089 PolarHBondContact OD1-OG 3.13Å; D920-S1089 WeakPolarHBondContact OD2-CB 3.4Å; D920-S1089 PolarHBondContact OD2-N 3.29Å; D920-S1089 PolarHBondContact OD2-OG 2.89Å; D920-S1089 VanDerWaalsContact OD2-OG 3.12Å; D920-C1092 HydrophobicContact CB-CB 4.34Å |
| 921 | L | 86.3 | Confident | 84.7 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 177.9 | -73.7 | 169.1 | 0 | 0 | 0 | 114 | I882 R883 L886 E917 V919 L923 Q924 A925 L1085 | I882-L921 HydrophobicContact CG2-CB 4.25Å; I882-L921 HydrophobicContact CG2-CD1 4.24Å; R883-L921 HydrophobicContact CG-CD1 3.65Å; R883-L921 HydrophobicContact CG-CD2 3.7Å; R883-L921 HydrophobicContact CG-CG 4.35Å; L886-L921 HydrophobicContact CD1-CB 4.05Å; E917-L921 WeakPolarHBondContact O-CB 3.24Å; E917-L921 WeakPolarHBondContact O-CD1 3.41Å; E917-L921 VanDerWaalsContact O-CG 3.24Å; E917-L921 WeakPolarHBondContact O-CG 3.43Å; E917-L921 PolarHBondContact O-N 2.9Å; V919-L921 VanDerWaalsContact C-N 3.34Å; V919-L921 PolarHBondContact O-N 3.23Å; L921-L923 VanDerWaalsContact C-N 3.35Å; L921-Q924 PolarHBondContact O-N 2.79Å; L921-A925 WeakPolarHBondContact O-CB 3.3Å; L921-A925 PolarHBondContact O-N 3.17Å; L921-L1085 HydrophobicContact CD2-CB 4.32Å; L921-L1085 HydrophobicContact CD2-CD2 4.12Å; L921-L1085 HydrophobicContact CD2-CG 4.4Å |
| 922 | L | 88.6 | Confident | 84 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 179.5 | -71.3 | 166 | 0 | 0 | 0 | 111 | L870 L886 V896 A906 L907 A910 A918 V919 A925 G926 A927 | L870-L922 HydrophobicContact CD1-CD2 4.25Å; L870-L922 HydrophobicContact CD2-CD2 4.06Å; L870-L922 HydrophobicContact CG-CD2 4.38Å; L886-L922 HydrophobicContact CD1-CD2 4.34Å; L886-L922 HydrophobicContact CD2-CD2 4.4Å; V896-L922 HydrophobicContact CG1-CD2 3.96Å; A906-L922 HydrophobicContact CB-CD1 3.97Å; A906-L922 HydrophobicContact CB-CD2 3.95Å; L907-L922 HydrophobicContact CD1-CB 4.23Å; A910-L922 HydrophobicContact CB-CD1 3.93Å; A918-L922 WeakPolarHBondContact O-CB 2.98Å; A918-L922 WeakPolarHBondContact O-CD1 3.31Å; A918-L922 WeakPolarHBondContact O-CG 3.45Å; A918-L922 PolarHBondContact O-N 3.42Å; V919-L922 PolarHBondContact O-N 3.07Å; L922-A925 CarbonylContact O-C 3.6Å; L922-A925 PolarHBondContact O-N 3.23Å; L922-G926 PolarHBondContact O-N 3.43Å; L922-A927 HydrophobicContact CB-CB 3.97Å; L922-A927 WeakPolarHBondContact O-CB 3.46Å; L922-A927 PolarHBondContact O-N 3.47Å |
| 923 | L | 86.3 | Confident | 83.1 | Confident | 11 Ų | 11 | 26.9 Ų | 26.9 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.3 | -39.5 | 176.5 | -67.7 | 168.6 | 0 | 0 | 0 | 112.2 | L907 V919 L921 A925 G926 P929 L971 L972 Y975 | L907-L923 HydrophobicContact CD1-CD2 4.09Å; L907-L923 HydrophobicContact CD1-CG 4.05Å; L907-L923 HydrophobicContact CD2-CD2 3.84Å; V919-L923 HydrophobicContact CG1-CD1 3.52Å; V919-L923 HydrophobicContact CG1-CG 4.25Å; V919-L923 WeakPolarHBondContact O-CB 3.49Å; V919-L923 WeakPolarHBondContact O-CD1 3.3Å; V919-L923 WeakPolarHBondContact O-CG 3.3Å; V919-L923 PolarHBondContact O-N 3.06Å; L921-L923 VanDerWaalsContact C-N 3.35Å; L923-A925 VanDerWaalsContact C-N 3.3Å; L923-A925 PolarHBondContact O-N 2.99Å; L923-G926 PolarHBondContact O-N 3.23Å; L923-P929 HydrophobicContact CD2-CB 3.94Å; L923-P929 HydrophobicContact CD2-CG 4.33Å; L923-L971 HydrophobicContact CD1-CG 4.25Å; L923-L972 HydrophobicContact CD1-CD2 4.19Å; L923-L972 HydrophobicContact CD2-CD2 4.39Å; L923-Y975 HydrophobicContact CB-CD1 3.83Å; L923-Y975 HydrophobicContact CB-CD2 4.14Å; L923-Y975 HydrophobicContact CB-CE1 3.9Å; L923-Y975 HydrophobicContact CB-CE2 4.19Å; L923-Y975 HydrophobicContact CB-CG 3.96Å; L923-Y975 HydrophobicContact CD1-CD2 3.62Å; L923-Y975 HydrophobicContact CD1-CE2 4.21Å; L923-Y975 HydrophobicContact CD1-CG 3.8Å; L923-Y975 HydrophobicContact CD2-CG 4.4Å; L923-Y975 HydrophobicContact CG-CD2 4.44Å; L923-Y975 HydrophobicContact CG-CG 4.27Å |
| 924 | Q | 83.2 | Confident | 82 | Confident | 46 Ų | 46 | 29.2 Ų | 29.2 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.3 | -36.1 | 172.2 | -74 | 169.3 | 36.5 | 0 | 0 | 112.5 | D920 L921 G926 Y975 | D920-Q924 WeakPolarHBondContact O-CB 3.29Å; D920-Q924 WeakPolarHBondContact O-CG 3.1Å; D920-Q924 PolarHBondContact O-N 3.05Å; D920-Q924 PolarHBondContact OD1-NE2 3.38Å; D920-Q924 PolarHBondContact OD2-NE2 3.31Å; L921-Q924 PolarHBondContact O-N 2.79Å; Q924-G926 PolarHBondContact O-N 2.96Å; Q924-Y975 WeakPolarHBondContact CG-OH 3.43Å |
| 925 | A | 80 | Confident | 80.6 | Confident | 38 Ų | 38 | 32.4 Ų | 32.4 | 31% | 0.314 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 1.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L886 L921 L922 L923 | L886-A925 HydrophobicContact CD1-CB 3.99Å; L886-A925 HydrophobicContact CD2-CB 3.8Å; L886-A925 HydrophobicContact CG-CB 4.33Å; L921-A925 WeakPolarHBondContact O-CB 3.3Å; L921-A925 PolarHBondContact O-N 3.17Å; L922-A925 CarbonylContact O-C 3.6Å; L922-A925 PolarHBondContact O-N 3.23Å; L923-A925 VanDerWaalsContact C-N 3.3Å; L923-A925 PolarHBondContact O-N 2.99Å |
| 926 | G | 77.8 | Confident | 79.1 | Confident | 55 Ų | 55 | 31.2 Ų | 31.2 | 57% | 0.567 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | 13.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | L922 L923 Q924 S928 | L922-G926 PolarHBondContact O-N 3.43Å; L923-G926 PolarHBondContact O-N 3.23Å; Q924-G926 PolarHBondContact O-N 2.96Å; G926-S928 PolarHBondContact O-N 3.02Å |
| 927 | A | 83.9 | Confident | 77.3 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.033 | 22% | 0.215 | C | C | . | . | trans | -53.7 | 130.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | V896 D897 L907 L922 P929 | V896-A927 HydrophobicContact CG1-CB 3.45Å; V896-A927 VanDerWaalsContact CG1-CB 3.45Å; D897-A927 WeakPolarHBondContact OD1-CA 3.4Å; L907-A927 HydrophobicContact CB-CB 4.14Å; L907-A927 HydrophobicContact CD2-CB 3.91Å; L907-A927 HydrophobicContact CG-CB 4.43Å; L922-A927 HydrophobicContact CB-CB 3.97Å; L922-A927 WeakPolarHBondContact O-CB 3.46Å; L922-A927 PolarHBondContact O-N 3.47Å; A927-P929 VanDerWaalsContact O-CD 3.28Å; A927-P929 WeakPolarHBondContact O-CD 3.25Å | ||
| 928 | S | 80.4 | Confident | 75.7 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | trans | -85.9 | 112.7 | -171.4 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | D897 G926 N930 L931 | D897-S928 PolarHBondContact OD1-N 3.37Å; D897-S928 WeakPolarHBondContact OD2-CB 3.46Å; D897-S928 PolarHBondContact OD2-N 2.88Å; D897-S928 PolarHBondContact OD2-OG 3.47Å; G926-S928 PolarHBondContact O-N 3.02Å; S928-N930 PolarHBondContact O-N 2.94Å; S928-L931 PolarHBondContact O-N 3.19Å; S928-L931 VanDerWaalsContact OG-CD1 3.26Å; S928-L931 WeakPolarHBondContact OG-CD1 3.17Å; S928-L931 VanDerWaalsContact OG-CG 3.23Å; S928-L931 WeakPolarHBondContact OG-CG 3.4Å | ||
| 929 | P | 81.5 | Confident | 74 | Confident | 19 Ų | 19 | 37.7 Ų | 37.7 | 12% | 0.123 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -4.3 | -167.5 | 28.7 | -35.6 | 0 | 0 | 0 | 114.8 | L907 L923 A927 P956 L972 Y975 A977 | L907-P929 HydrophobicContact CD2-CB 4.37Å; L923-P929 HydrophobicContact CD2-CB 3.94Å; L923-P929 HydrophobicContact CD2-CG 4.33Å; A927-P929 VanDerWaalsContact O-CD 3.28Å; A927-P929 WeakPolarHBondContact O-CD 3.25Å; P929-P956 WeakPolarHBondContact O-CD 3.36Å; P929-L972 HydrophobicContact CB-CD2 4.07Å; P929-Y975 WeakPolarHBondContact CG-O 3.47Å; P929-A977 HydrophobicContact CB-CB 4.1Å |
| 930 | N | 79.9 | Confident | 72 | Confident | 58 Ų | 58 | 41.3 Ų | 41.3 | 31% | 0.31 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 10.4 | -177.6 | -69.5 | -60.9 | 0 | 0 | 0 | 113 | S928 R976 R978 | S928-N930 PolarHBondContact O-N 2.94Å; N930-R976 PolarHBondContact ND2-O 3.05Å; N930-R978 WeakPolarHBondContact OD1-CB 3.49Å; N930-R978 WeakPolarHBondContact OD1-CG 3.35Å; N930-R978 PolarHBondContact OD1-N 2.86Å |
| 931 | L | 79.2 | Confident | 69.9 | Low | 29 Ų | 29 | 45.4 Ų | 45.4 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | trans | -61.6 | 154.4 | 173.1 | -83 | 172.7 | 0 | 0 | 0 | 112.7 | D897 T905 S928 T955 L1052 | D897-L931 HydrophobicContact CB-CD1 3.81Å; D897-L931 VanDerWaalsContact CG-CD1 3.41Å; D897-L931 WeakPolarHBondContact OD1-CD1 3.23Å; T905-L931 HydrophobicContact CG2-CD1 4.1Å; S928-L931 PolarHBondContact O-N 3.19Å; S928-L931 VanDerWaalsContact OG-CD1 3.26Å; S928-L931 WeakPolarHBondContact OG-CD1 3.17Å; S928-L931 VanDerWaalsContact OG-CG 3.23Å; S928-L931 WeakPolarHBondContact OG-CG 3.4Å; L931-T955 WeakPolarHBondContact O-CA 3.19Å; L931-T955 WeakPolarHBondContact O-CB 3.2Å; L931-T955 WeakPolarHBondContact O-CG2 3.37Å; L931-L1052 HydrophobicContact CD2-CD1 4.07Å | ||
| 932 | V | 74.9 | Confident | 68.1 | Low | 87 Ų | 87 | 46.7 Ų | 46.7 | 53% | 0.527 | 30% | 0.298 | S | S | . | . | trans | -131.9 | 115.3 | -164.2 | -87.9 | 0 | 0 | 0 | 0 | 111.1 | V953 F954 T955 | V932-V953 HydrophobicContact CB-CG1 3.49Å; V932-V953 VanDerWaalsContact CB-CG1 3.49Å; V932-V953 HydrophobicContact CG1-CG1 3.66Å; V932-F954 CarbonylContact C-O 3.58Å; V932-F954 WeakPolarHBondContact CA-O 3.46Å; V932-T955 HydrophobicContact CG1-CG2 3.79Å | ||
| 933 | V | 69.4 | Low | 65.8 | Low | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.5 | -169.8 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | G903 L904 H908 V953 F954 | G903-V933 WeakPolarHBondContact O-CB 3.35Å; G903-V933 WeakPolarHBondContact O-CG1 3.46Å; L904-V933 HydrophobicContact CD2-CB 4.29Å; L904-V933 HydrophobicContact CD2-CG2 3.64Å; H908-V933 VanDerWaalsContact CD2-CG2 3.47Å; H908-V933 WeakPolarHBondContact CD2-CG2 3.3Å; H908-V933 WeakPolarHBondContact CE1-CG1 3.36Å; H908-V933 WeakPolarHBondContact NE2-CG1 3.43Å; V933-V953 CarbonylContact O-C 3.55Å; V933-V953 WeakPolarHBondContact O-CA 3.38Å; V933-F954 PolarHBondContact N-O 3.42Å; V933-F954 PolarHBondContact O-N 3.32Å |
| 934 | R | 60.8 | Low | 63.7 | Low | 121 Ų | 121 | 53.9 Ų | 53.9 | 46% | 0.457 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 152.4 | 172.9 | -71.8 | 174.9 | 168.9 | 128.4 | -9.3 | 109.6 | P936 N1048 | R934-P936 WeakPolarHBondContact O-CD 3.34Å; R934-N1048 PolarHBondContact NH1-OD1 2.9Å; R934-N1048 VanDerWaalsContact NH1-OD1 3.11Å |
| 935 | R | 56.6 | Low | 61.3 | Low | 80 Ų | 80 | 54.3 Ų | 54.3 | 30% | 0.302 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 123.2 | -179.4 | -172.6 | -174.5 | -74.7 | 150.7 | 0.9 | 112 | L939 S952 F954 | R935-L939 HydrophobicContact CG-CD1 4.24Å; R935-S952 PolarHBondContact N-O 3.14Å; R935-S952 VanDerWaalsContact N-O 3.1Å; R935-S952 PolarHBondContact NE-OG 2.9Å; R935-S952 VanDerWaalsContact NE-OG 3.15Å; R935-S952 PolarHBondContact NH2-OG 2.82Å; R935-F954 HydrophobicContact CB-CD2 4.14Å; R935-F954 HydrophobicContact CB-CE2 3.8Å; R935-F954 HydrophobicContact CG-CD2 4.41Å; R935-F954 HydrophobicContact CG-CE2 3.82Å |
| 936 | P | 55.4 | Low | 59.2 | Low | 11 Ų | 11 | 60.2 Ų | 60.2 | 7% | 0.071 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 140.4 | 167.8 | -26.2 | 35.4 | 0 | 0 | 0 | 112.7 | L904 R934 L939 | L904-P936 HydrophobicContact CD1-CB 4.49Å; L904-P936 HydrophobicContact CD1-CG 3.76Å; L904-P936 HydrophobicContact CD2-CG 3.51Å; L904-P936 HydrophobicContact CG-CG 3.77Å; R934-P936 WeakPolarHBondContact O-CD 3.34Å; P936-L939 HydrophobicContact CB-CD1 4.41Å; P936-L939 HydrophobicContact CG-CD1 4.33Å |
| 937 | A | 48.6 | Very low | 57.3 | Low | 106 Ų | 106 | 64.7 Ų | 64.7 | 88% | 0.876 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 140.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 938 | G | 51.3 | Low | 55.2 | Low | 58 Ų | 58 | 72.9 Ų | 72.9 | 60% | 0.598 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -1.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 939 | L | 54.3 | Low | 53.1 | Low | 29 Ų | 29 | 80.4 Ų | 80.4 | 15% | 0.152 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -71.9 | 132.1 | 158.4 | -71.9 | 172.9 | 0 | 0 | 0 | 109.3 | L912 R935 P936 L959 | L912-L939 HydrophobicContact CD1-CD2 4.35Å; R935-L939 HydrophobicContact CG-CD1 4.24Å; P936-L939 HydrophobicContact CB-CD1 4.41Å; P936-L939 HydrophobicContact CG-CD1 4.33Å; L939-L959 HydrophobicContact CD1-CD2 4.35Å |
| 940 | S | 46.9 | Very low | 51 | Low | 76 Ų | 76 | 86.2 Ų | 86.2 | 53% | 0.531 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 136.5 | 177.6 | 45.5 | 0 | 0 | 0 | 0 | 111 | L942 | S940-L942 PolarHBondContact O-N 3.04Š|
| 941 | P | 43.4 | Very low | 49.4 | Very low | 86 Ų | 86 | 86.2 Ų | 86.2 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 128.8 | 177.4 | -28.5 | 36 | 0 | 0 | 0 | 111.3 | S943 E947 | P941-S943 PolarHBondContact O-N 2.67Å; P941-E947 WeakPolarHBondContact CG-OE1 3.45Å |
| 942 | L | 48 | Very low | 48.3 | Very low | 27 Ų | 27 | 85 Ų | 85 | 14% | 0.141 | 50% | 0.503 | C | S | . | . | trans | -68 | 104.9 | 173.4 | -72.2 | 178.8 | 0 | 0 | 0 | 108.1 | S940 G944 F954 L992 | S940-L942 PolarHBondContact O-N 3.04Å; L942-G944 PolarHBondContact O-N 2.99Å; L942-F954 HydrophobicContact CD1-CE1 4.42Å; L942-F954 HydrophobicContact CD1-CZ 4.12Å; L942-L992 HydrophobicContact CD1-CD2 3.97Å; L942-L992 HydrophobicContact CD2-CD2 4.43Å | ||
| 943 | S | 41.2 | Very low | 47.9 | Very low | 90 Ų | 90 | 83.1 Ų | 83.1 | 63% | 0.629 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -42.3 | 136.5 | 178.8 | 180 | 0 | 0 | 0 | 0 | 112.4 | P941 R987 | P941-S943 PolarHBondContact O-N 2.67Å; S943-R987 PolarHBondContact O-NH2 2.75Å |
| 944 | G | 40.7 | Very low | 48.2 | Very low | 72 Ų | 72 | 83.3 Ų | 83.3 | 74% | 0.742 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 76.9 | 45.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L942 R987 | L942-G944 PolarHBondContact O-N 2.99Å; G944-R987 PolarHBondContact O-NH2 3.38Å |
| 945 | C | 32.6 | Very low | 49.3 | Very low | 55 Ų | 55 | 77.8 Ų | 77.8 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | trans | -143.1 | 123.9 | 170.2 | -73 | 0 | 0 | 0 | 0 | 110.7 | E947 R987 | C945-E947 PolarHBondContact O-N 3.47Å; C945-R987 PolarHBondContact SG-NH2 2.96Å | ||
| 946 | D | 37.1 | Very low | 50.7 | Low | 162 Ų | 162 | 74 Ų | 74 | 87% | 0.866 | 46% | 0.458 | S | S | * | . | trans | -67.1 | 124.6 | 169.1 | -56.2 | -59.1 | 0 | 0 | 0 | 109.9 | E948 | D946-E948 VanDerWaalsContact C-N 3.31Å; D946-E948 PolarHBondContact O-N 3.48Å | ||
| 947 | E | 38 | Very low | 52.3 | Low | 149 Ų | 149 | 73.5 Ų | 73.5 | 70% | 0.696 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -16.7 | -163.8 | -60.8 | -158.9 | 120.7 | 0 | 0 | 115 | P941 C945 | P941-E947 WeakPolarHBondContact CG-OE1 3.45Å; C945-E947 PolarHBondContact O-N 3.47Å |
| 948 | E | 39.3 | Very low | 54.1 | Low | 177 Ų | 177 | 68.5 Ų | 68.5 | 83% | 0.827 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -15.3 | -157.2 | -61.4 | -162.2 | 128.5 | 0 | 0 | 116.9 | D946 | D946-E948 VanDerWaalsContact C-N 3.31Å; D946-E948 PolarHBondContact O-N 3.48Å |
| 949 | K | 37.2 | Very low | 55.7 | Low | 189 Ų | 189 | 65.8 Ų | 65.8 | 82% | 0.822 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -129.2 | -5.4 | -158.7 | -83.6 | 173.9 | -177.5 | 159.4 | 0 | 119.5 | ||
| 950 | L | 37.2 | Very low | 57.3 | Low | 141 Ų | 141 | 64.4 Ų | 64.4 | 74% | 0.738 | 38% | 0.378 | S | S | * | . | trans | -144.4 | 116.5 | 177.9 | -152 | 60.8 | 0 | 0 | 0 | 113.4 | S952 G984 | L950-S952 PolarHBondContact O-N 3.28Å; L950-G984 WeakPolarHBondContact CD2-O 3.09Å; L950-G984 WeakPolarHBondContact CG-O 3.18Å | ||
| 951 | G | 44.6 | Very low | 59.3 | Low | 57 Ų | 57 | 61 Ų | 61 | 59% | 0.588 | 35% | 0.354 | S | S | * | . | trans | -71.6 | 87.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V953 | G951-V953 PolarHBondContact O-N 3.02Å; G951-V953 VanDerWaalsContact O-N 3.09Å | ||
| 952 | S | 57.5 | Low | 61.2 | Low | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | trans | -60.3 | 114 | -173.5 | 66 | 0 | 0 | 0 | 0 | 112.1 | R935 L950 F954 | R935-S952 PolarHBondContact N-O 3.14Å; R935-S952 VanDerWaalsContact N-O 3.1Å; R935-S952 PolarHBondContact NE-OG 2.9Å; R935-S952 VanDerWaalsContact NE-OG 3.15Å; R935-S952 PolarHBondContact NH2-OG 2.82Å; L950-S952 PolarHBondContact O-N 3.28Å; S952-F954 WeakPolarHBondContact OG-CE2 3.42Å | ||
| 953 | V | 65.1 | Low | 63 | Low | 48 Ų | 48 | 61.2 Ų | 61.2 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 144.9 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | V932 V933 G951 S983 G984 | V932-V953 HydrophobicContact CB-CG1 3.49Å; V932-V953 VanDerWaalsContact CB-CG1 3.49Å; V932-V953 HydrophobicContact CG1-CG1 3.66Å; V933-V953 CarbonylContact O-C 3.55Å; V933-V953 WeakPolarHBondContact O-CA 3.38Å; G951-V953 PolarHBondContact O-N 3.02Å; G951-V953 VanDerWaalsContact O-N 3.09Å; V953-S983 CarbonylContact O-C 3.59Å; V953-S983 WeakPolarHBondContact O-CA 3.44Å; V953-S983 WeakPolarHBondContact O-CB 3.4Å; V953-G984 PolarHBondContact O-N 2.95Å |
| 954 | F | 76 | Confident | 65.1 | Low | 11 Ų | 11 | 58.1 Ų | 58.1 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 163.9 | 173.5 | -68 | -76.4 | 0 | 0 | 0 | 111 | V932 V933 R935 L942 S952 H958 L959 L992 | V932-F954 CarbonylContact C-O 3.58Å; V932-F954 WeakPolarHBondContact CA-O 3.46Å; V933-F954 PolarHBondContact N-O 3.42Å; V933-F954 PolarHBondContact O-N 3.32Å; R935-F954 HydrophobicContact CB-CD2 4.14Å; R935-F954 HydrophobicContact CB-CE2 3.8Å; R935-F954 HydrophobicContact CG-CD2 4.41Å; R935-F954 HydrophobicContact CG-CE2 3.82Å; L942-F954 HydrophobicContact CD1-CE1 4.42Å; L942-F954 HydrophobicContact CD1-CZ 4.12Å; S952-F954 WeakPolarHBondContact OG-CE2 3.42Å; F954-H958 HydrophobicContact CB-CB 4.22Å; F954-H958 HydrophobicContact CD1-CB 3.74Å; F954-H958 HydrophobicContact CG-CB 4.47Å; F954-L959 HydrophobicContact CB-CD2 4.32Å; F954-L992 HydrophobicContact CE1-CD1 4.35Å |
| 955 | T | 84.4 | Confident | 67.4 | Low | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.037 | 30% | 0.296 | C | S | . | . | trans | -119.3 | 169.6 | 172.2 | 67.8 | 0 | 0 | 0 | 0 | 109.8 | L931 V932 L957 H958 L959 | L931-T955 WeakPolarHBondContact O-CA 3.19Å; L931-T955 WeakPolarHBondContact O-CB 3.2Å; L931-T955 WeakPolarHBondContact O-CG2 3.37Å; V932-T955 HydrophobicContact CG1-CG2 3.79Å; T955-L957 PolarHBondContact O-N 3.41Å; T955-H958 PolarHBondContact N-ND1 3.19Å; T955-H958 WeakPolarHBondContact O-CB 3.36Å; T955-H958 PolarHBondContact O-N 2.72Å; T955-H958 PolarHBondContact OG1-N 3.03Å; T955-H958 PolarHBondContact OG1-ND1 3.24Å; T955-L959 PolarHBondContact O-N 3.03Å | ||
| 956 | P | 86.5 | Confident | 69.8 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.8 | -39.5 | 176.8 | -23.4 | 34.3 | 0 | 0 | 0 | 112 | L907 H908 P929 H958 L959 A960 L972 | L907-P956 HydrophobicContact CD2-CB 4.47Å; L907-P956 HydrophobicContact CD2-CG 4Å; L907-P956 HydrophobicContact CG-CB 4.2Å; L907-P956 HydrophobicContact CG-CG 4.05Å; H908-P956 VanDerWaalsContact NE2-CD 3.26Å; H908-P956 WeakPolarHBondContact NE2-CD 3.38Å; P929-P956 WeakPolarHBondContact O-CD 3.36Å; P956-H958 PolarHBondContact O-N 3.28Å; P956-L959 PolarHBondContact O-N 3.31Å; P956-L959 VanDerWaalsContact O-N 3.14Å; P956-A960 PolarHBondContact O-N 2.85Å; P956-L972 HydrophobicContact CB-CD1 4.06Å; P956-L972 HydrophobicContact CB-CD2 4.22Å |
| 957 | L | 88 | Confident | 72 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 176.3 | -175.1 | 64.2 | 0 | 0 | 0 | 112.4 | T955 L959 A960 V961 V969 L972 L973 A977 P989 L1117 | T955-L957 PolarHBondContact O-N 3.41Å; L957-L959 VanDerWaalsContact C-N 3.31Å; L957-L959 PolarHBondContact O-N 3.07Å; L957-A960 PolarHBondContact O-N 3.33Å; L957-V961 WeakPolarHBondContact O-CB 3.2Å; L957-V961 VanDerWaalsContact O-CG2 3.25Å; L957-V961 WeakPolarHBondContact O-CG2 3.43Å; L957-V961 PolarHBondContact O-N 2.92Å; L957-V969 HydrophobicContact CD1-CB 4.42Å; L957-V969 HydrophobicContact CD1-CG1 4.1Å; L957-V969 HydrophobicContact CD1-CG2 4.26Å; L957-L972 HydrophobicContact CB-CD1 4.32Å; L957-L972 HydrophobicContact CD1-CB 4.25Å; L957-L972 HydrophobicContact CD1-CD1 4.42Å; L957-L973 HydrophobicContact CD1-CD2 4.35Å; L957-L973 HydrophobicContact CD1-CG 4.33Å; L957-L973 HydrophobicContact CD2-CD2 4.05Å; L957-A977 HydrophobicContact CB-CB 4.27Å; L957-A977 HydrophobicContact CD2-CB 4.13Å; L957-P989 HydrophobicContact CD2-CB 4.37Å; L957-P989 HydrophobicContact CD2-CG 4.07Å; L957-P989 HydrophobicContact CG-CB 4.34Å; L957-P989 HydrophobicContact CG-CG 4.27Å; L957-L1117 HydrophobicContact CD2-CD2 4.33Å |
| 958 | H | 86.8 | Confident | 74.4 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.8 | -37.3 | 174.8 | -71.9 | 92.5 | 0 | 0 | 0 | 112.3 | F954 T955 P956 H962 C981 S983 R987 L992 | F954-H958 HydrophobicContact CB-CB 4.22Å; F954-H958 HydrophobicContact CD1-CB 3.74Å; F954-H958 HydrophobicContact CG-CB 4.47Å; T955-H958 PolarHBondContact N-ND1 3.19Å; T955-H958 WeakPolarHBondContact O-CB 3.36Å; T955-H958 PolarHBondContact O-N 2.72Å; T955-H958 PolarHBondContact OG1-N 3.03Å; T955-H958 PolarHBondContact OG1-ND1 3.24Å; P956-H958 PolarHBondContact O-N 3.28Å; H958-H962 VanDerWaalsContact O-CB 3.24Å; H958-H962 WeakPolarHBondContact O-CB 3.39Å; H958-H962 PolarHBondContact O-N 2.91Å; H958-C981 PolarHBondContact CE1-SG 3.02Å; H958-S983 PolarHBondContact NE2-N 3.22Å; H958-S983 VanDerWaalsContact NE2-N 3.12Å; H958-R987 PolarHBondContact NE2-O 2.88Å; H958-L992 HydrophobicContact CB-CD1 4.15Å |
| 959 | L | 85.3 | Confident | 76.6 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.3 | -44.4 | 179 | -62.2 | -177.3 | 0 | 0 | 0 | 111.5 | L904 H908 L912 L939 F954 T955 P956 L957 V961 H962 K963 | L904-L959 HydrophobicContact CD2-CD1 4.25Å; H908-L959 HydrophobicContact CB-CD1 3.93Å; L912-L959 HydrophobicContact CB-CD1 4.47Å; L939-L959 HydrophobicContact CD1-CD2 4.35Å; F954-L959 HydrophobicContact CB-CD2 4.32Å; T955-L959 PolarHBondContact O-N 3.03Å; P956-L959 PolarHBondContact O-N 3.31Å; P956-L959 VanDerWaalsContact O-N 3.14Å; L957-L959 VanDerWaalsContact C-N 3.31Å; L957-L959 PolarHBondContact O-N 3.07Å; L959-V961 PolarHBondContact O-N 3.49Å; L959-H962 PolarHBondContact O-N 3.32Å; L959-K963 PolarHBondContact O-N 3.03Å |
| 960 | A | 88.2 | Confident | 78.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P956 L957 K963 A964 H965 V968 V969 L972 | P956-A960 PolarHBondContact O-N 2.85Å; L957-A960 PolarHBondContact O-N 3.33Å; A960-K963 PolarHBondContact O-N 3.26Å; A960-A964 PolarHBondContact O-N 3.15Å; A960-A964 VanDerWaalsContact O-N 3.07Å; A960-H965 PolarHBondContact O-N 3.2Å; A960-V968 HydrophobicContact CB-CB 4.11Å; A960-V968 HydrophobicContact CB-CG1 3.63Å; A960-V969 HydrophobicContact CB-CG2 3.86Å; A960-L972 HydrophobicContact CB-CD1 4.18Å |
| 961 | V | 87.5 | Confident | 80.7 | Confident | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.024 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.9 | -47 | 173.1 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L957 L959 K963 A964 V969 P989 L992 A993 I1113 L1117 | L957-V961 WeakPolarHBondContact O-CB 3.2Å; L957-V961 VanDerWaalsContact O-CG2 3.25Å; L957-V961 WeakPolarHBondContact O-CG2 3.43Å; L957-V961 PolarHBondContact O-N 2.92Å; L959-V961 PolarHBondContact O-N 3.49Å; V961-K963 PolarHBondContact O-N 2.98Å; V961-A964 PolarHBondContact O-N 3.12Å; V961-V969 HydrophobicContact CG2-CG2 3.63Å; V961-P989 HydrophobicContact CG2-CB 4.25Å; V961-L992 HydrophobicContact CG1-CB 3.98Å; V961-A993 HydrophobicContact CG1-CB 3.9Å; V961-I1113 HydrophobicContact CB-CG2 4.45Å; V961-I1113 HydrophobicContact CG1-CG2 4.1Å; V961-I1113 HydrophobicContact CG2-CG2 3.9Å; V961-L1117 HydrophobicContact CG2-CD1 3.91Å |
| 962 | H | 84.3 | Confident | 82.6 | Confident | 56 Ų | 56 | 13.6 Ų | 13.6 | 26% | 0.259 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -64.7 | -22.5 | -179.6 | 174.1 | 62.7 | 0 | 0 | 0 | 113.5 | H958 L959 | H958-H962 VanDerWaalsContact O-CB 3.24Å; H958-H962 WeakPolarHBondContact O-CB 3.39Å; H958-H962 PolarHBondContact O-N 2.91Å; L959-H962 PolarHBondContact O-N 3.32Å |
| 963 | K | 85.1 | Confident | 83.7 | Confident | 61 Ų | 61 | 14.9 Ų | 14.9 | 27% | 0.265 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 5.4 | 173 | -62.1 | -49.7 | -176.4 | -156.5 | 0 | 114.7 | L912 L959 A960 V961 H965 | L912-K963 HydrophobicContact CD1-CD 4.48Å; L912-K963 HydrophobicContact CD1-CG 3.92Å; L959-K963 PolarHBondContact O-N 3.03Å; A960-K963 PolarHBondContact O-N 3.26Å; V961-K963 PolarHBondContact O-N 2.98Å; K963-H965 VanDerWaalsContact CB-CD2 3.45Å; K963-H965 WeakPolarHBondContact CB-CD2 3.46Å; K963-H965 WeakPolarHBondContact CB-NE2 3.31Å |
| 964 | A | 85.9 | Confident | 84.1 | Confident | 25 Ų | 25 | 13.4 Ų | 13.4 | 21% | 0.207 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A960 V961 P966 N1110 I1113 | A960-A964 PolarHBondContact O-N 3.15Å; A960-A964 VanDerWaalsContact O-N 3.07Å; V961-A964 PolarHBondContact O-N 3.12Å; A964-P966 WeakPolarHBondContact O-CD 3.28Å; A964-N1110 WeakPolarHBondContact CB-OD1 3.37Å; A964-I1113 HydrophobicContact CB-CD1 4.26Å |
| 965 | H | 88.3 | Confident | 84 | Confident | 28 Ų | 28 | 15 Ų | 15 | 13% | 0.13 | 8% | 0.077 | C | C | . | . | trans | -97.3 | 85.5 | 173.6 | -64.9 | -60.4 | 0 | 0 | 0 | 110.9 | G914 A960 K963 D967 V968 V969 | G914-H965 VanDerWaalsContact CA-CE1 3.48Å; G914-H965 WeakPolarHBondContact CA-CE1 3.49Å; A960-H965 PolarHBondContact O-N 3.2Å; K963-H965 VanDerWaalsContact CB-CD2 3.45Å; K963-H965 WeakPolarHBondContact CB-CD2 3.46Å; K963-H965 WeakPolarHBondContact CB-NE2 3.31Å; H965-D967 VanDerWaalsContact C-N 3.29Å; H965-D967 VanDerWaalsContact CA-OD1 3.3Å; H965-D967 WeakPolarHBondContact CA-OD1 3.46Å; H965-D967 WeakPolarHBondContact CB-OD1 3.45Å; H965-D967 PolarHBondContact O-N 2.85Å; H965-V968 HydrophobicContact CB-CB 3.93Å; H965-V968 HydrophobicContact CB-CG2 4.12Å; H965-V968 PolarHBondContact O-N 3.11Å; H965-V969 VanDerWaalsContact O-CG2 3.3Å; H965-V969 WeakPolarHBondContact O-CG2 3.48Å; H965-V969 PolarHBondContact O-N 2.86Å | ||
| 966 | P | 83.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.6 | -36.3 | -177.9 | 25.5 | -34.3 | 0 | 0 | 0 | 112.7 | A964 V969 C970 I1099 L1103 R1109 L1112 I1113 | A964-P966 WeakPolarHBondContact O-CD 3.28Å; P966-V969 PolarHBondContact O-N 3.4Å; P966-C970 WeakPolarHBondContact O-CB 3.26Å; P966-C970 PolarHBondContact O-N 3.33Å; P966-C970 PolarHBondContact O-SG 3.37Å; P966-C970 VanDerWaalsContact O-SG 3.33Å; P966-I1099 HydrophobicContact CB-CG2 4Å; P966-I1099 HydrophobicContact CG-CG2 3.78Å; P966-L1103 HydrophobicContact CG-CD1 4.17Å; P966-R1109 HydrophobicContact CG-CG 4.41Å; P966-L1112 HydrophobicContact CB-CD2 3.99Å; P966-L1112 HydrophobicContact CB-CG 4.41Å; P966-I1113 HydrophobicContact CB-CD1 4.36Å; P966-I1113 HydrophobicContact CB-CG1 3.88Å |
| 967 | D | 83.9 | Confident | 82.9 | Confident | 33 Ų | 33 | 22.7 Ų | 22.7 | 18% | 0.176 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -54.4 | -53.5 | 172.2 | 50.6 | -19.5 | 0 | 0 | 0 | 112.5 | M916 H965 L971 I1099 | M916-D967 HydrophobicContact CE-CB 4.06Å; M916-D967 HydrophobicContact CG-CB 4.41Å; M916-D967 HydrophobicContact SD-CB 3.87Å; H965-D967 VanDerWaalsContact C-N 3.29Å; H965-D967 VanDerWaalsContact CA-OD1 3.3Å; H965-D967 WeakPolarHBondContact CA-OD1 3.46Å; H965-D967 WeakPolarHBondContact CB-OD1 3.45Å; H965-D967 PolarHBondContact O-N 2.85Å; D967-L971 WeakPolarHBondContact O-CB 3.14Å; D967-L971 PolarHBondContact O-N 3.37Å; D967-L971 VanDerWaalsContact O-N 3.07Å; D967-I1099 HydrophobicContact CB-CD1 4.49Å |
| 968 | V | 87.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.7 | -36 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | M916 V919 A960 H965 L971 L972 | M916-V968 HydrophobicContact CB-CG2 4.47Å; V919-V968 HydrophobicContact CG1-CG1 4.4Å; V919-V968 HydrophobicContact CG2-CG1 4.09Å; V919-V968 HydrophobicContact CG2-CG2 4.42Å; A960-V968 HydrophobicContact CB-CB 4.11Å; A960-V968 HydrophobicContact CB-CG1 3.63Å; H965-V968 HydrophobicContact CB-CB 3.93Å; H965-V968 HydrophobicContact CB-CG2 4.12Å; H965-V968 PolarHBondContact O-N 3.11Å; V968-L971 PolarHBondContact O-N 3.48Å; V968-L972 HydrophobicContact CG1-CD1 3.77Å; V968-L972 HydrophobicContact CG1-CG 4.2Å; V968-L972 WeakPolarHBondContact O-CB 3.32Å; V968-L972 VanDerWaalsContact O-CG 3.3Å; V968-L972 WeakPolarHBondContact O-CG 3.43Å; V968-L972 PolarHBondContact O-N 2.97Å |
| 969 | V | 85.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.6 | -51.4 | 175.7 | 166.4 | 0 | 0 | 0 | 0 | 111.1 | L957 A960 V961 H965 P966 L971 L972 L973 I1113 | L957-V969 HydrophobicContact CD1-CB 4.42Å; L957-V969 HydrophobicContact CD1-CG1 4.1Å; L957-V969 HydrophobicContact CD1-CG2 4.26Å; A960-V969 HydrophobicContact CB-CG2 3.86Å; V961-V969 HydrophobicContact CG2-CG2 3.63Å; H965-V969 VanDerWaalsContact O-CG2 3.3Å; H965-V969 WeakPolarHBondContact O-CG2 3.48Å; H965-V969 PolarHBondContact O-N 2.86Å; P966-V969 PolarHBondContact O-N 3.4Å; V969-L971 PolarHBondContact O-N 2.96Å; V969-L972 PolarHBondContact O-N 2.96Å; V969-L973 HydrophobicContact CG1-CD1 3.83Å; V969-L973 HydrophobicContact CG1-CG 4.47Å; V969-L973 WeakPolarHBondContact O-CB 3.48Å; V969-L973 WeakPolarHBondContact O-CG 3.26Å; V969-L973 PolarHBondContact O-N 3.03Å; V969-I1113 HydrophobicContact CG1-CG2 4.47Å; V969-I1113 HydrophobicContact CG2-CG1 4.42Å; V969-I1113 HydrophobicContact CG2-CG2 4.45Å |
| 970 | C | 80.4 | Confident | 80.7 | Confident | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 177.7 | -70.9 | 0 | 0 | 0 | 0 | 111.8 | P966 L973 C974 L1095 I1099 C1116 | P966-C970 WeakPolarHBondContact O-CB 3.26Å; P966-C970 PolarHBondContact O-N 3.33Å; P966-C970 PolarHBondContact O-SG 3.37Å; P966-C970 VanDerWaalsContact O-SG 3.33Å; C970-L973 PolarHBondContact O-N 2.81Å; C970-C974 PolarHBondContact O-N 3.25Å; C970-C974 PolarHBondContact O-SG 2.92Å; C970-C974 VanDerWaalsContact O-SG 3.33Å; C970-L1095 HydrophobicContact CB-CD1 4.14Å; C970-L1095 HydrophobicContact CB-CD2 4.21Å; C970-I1099 HydrophobicContact CB-CD1 3.71Å; C970-C1116 VanDerWaalsContact SG-SG 3.62Å |
| 971 | L | 81.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -47 | 178 | -178.1 | 60 | 0 | 0 | 0 | 112.1 | M916 V919 D920 L923 D967 V968 V969 L973 C974 Y975 L1091 L1095 | M916-L971 HydrophobicContact CG-CD2 3.78Å; M916-L971 VanDerWaalsContact O-CD2 3.31Å; M916-L971 WeakPolarHBondContact O-CD2 3.41Å; V919-L971 HydrophobicContact CB-CD2 4Å; V919-L971 HydrophobicContact CG1-CD2 3.67Å; V919-L971 HydrophobicContact CG1-CG 4.15Å; D920-L971 HydrophobicContact CB-CD2 4.03Å; L923-L971 HydrophobicContact CD1-CG 4.25Å; D967-L971 WeakPolarHBondContact O-CB 3.14Å; D967-L971 PolarHBondContact O-N 3.37Å; D967-L971 VanDerWaalsContact O-N 3.07Å; V968-L971 PolarHBondContact O-N 3.48Å; V969-L971 PolarHBondContact O-N 2.96Å; L971-L973 VanDerWaalsContact C-N 3.33Å; L971-L973 PolarHBondContact O-N 3.28Å; L971-C974 PolarHBondContact O-N 3.29Å; L971-Y975 HydrophobicContact CD1-CD2 3.98Å; L971-Y975 HydrophobicContact CD1-CE2 3.78Å; L971-Y975 WeakPolarHBondContact O-CD2 3.48Å; L971-Y975 PolarHBondContact O-N 3.29Å; L971-Y975 VanDerWaalsContact O-N 3.13Å; L971-L1091 HydrophobicContact CD1-CD2 3.45Å; L971-L1091 VanDerWaalsContact CD1-CD2 3.45Å; L971-L1095 HydrophobicContact CB-CD1 4.34Å |
| 972 | L | 85.1 | Confident | 78.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.7 | -76.8 | 170.7 | 0 | 0 | 0 | 112.3 | L907 V919 L923 P929 P956 L957 A960 V968 V969 Y975 R976 A977 | L907-L972 HydrophobicContact CD1-CD2 4.48Å; V919-L972 HydrophobicContact CG1-CD2 4.33Å; V919-L972 HydrophobicContact CG1-CG 4.43Å; L923-L972 HydrophobicContact CD1-CD2 4.19Å; L923-L972 HydrophobicContact CD2-CD2 4.39Å; P929-L972 HydrophobicContact CB-CD2 4.07Å; P956-L972 HydrophobicContact CB-CD1 4.06Å; P956-L972 HydrophobicContact CB-CD2 4.22Å; L957-L972 HydrophobicContact CB-CD1 4.32Å; L957-L972 HydrophobicContact CD1-CB 4.25Å; L957-L972 HydrophobicContact CD1-CD1 4.42Å; A960-L972 HydrophobicContact CB-CD1 4.18Å; V968-L972 HydrophobicContact CG1-CD1 3.77Å; V968-L972 HydrophobicContact CG1-CG 4.2Å; V968-L972 WeakPolarHBondContact O-CB 3.32Å; V968-L972 VanDerWaalsContact O-CG 3.3Å; V968-L972 WeakPolarHBondContact O-CG 3.43Å; V968-L972 PolarHBondContact O-N 2.97Å; V969-L972 PolarHBondContact O-N 2.96Å; L972-Y975 CarbonylContact O-C 3.52Å; L972-Y975 PolarHBondContact O-N 3.33Å; L972-R976 PolarHBondContact O-N 3.45Å; L972-A977 HydrophobicContact CB-CB 3.83Å; L972-A977 WeakPolarHBondContact O-CB 3.32Å; L972-A977 PolarHBondContact O-N 3.3Å |
| 973 | L | 79.1 | Confident | 77.9 | Confident | 30 Ų | 30 | 34.7 Ų | 34.7 | 16% | 0.157 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | 176.5 | -68.3 | 170.9 | 0 | 0 | 0 | 111.9 | L957 V969 C970 L971 Y975 R976 A979 C1116 L1117 A1120 | L957-L973 HydrophobicContact CD1-CD2 4.35Å; L957-L973 HydrophobicContact CD1-CG 4.33Å; L957-L973 HydrophobicContact CD2-CD2 4.05Å; V969-L973 HydrophobicContact CG1-CD1 3.83Å; V969-L973 HydrophobicContact CG1-CG 4.47Å; V969-L973 WeakPolarHBondContact O-CB 3.48Å; V969-L973 WeakPolarHBondContact O-CG 3.26Å; V969-L973 PolarHBondContact O-N 3.03Å; C970-L973 PolarHBondContact O-N 2.81Å; L971-L973 VanDerWaalsContact C-N 3.33Å; L971-L973 PolarHBondContact O-N 3.28Å; L973-Y975 VanDerWaalsContact C-N 3.27Å; L973-Y975 PolarHBondContact O-N 2.8Å; L973-R976 PolarHBondContact O-N 2.84Å; L973-A979 HydrophobicContact CD2-CB 3.87Å; L973-C1116 HydrophobicContact CD1-CB 4.34Å; L973-L1117 HydrophobicContact CD1-CD2 4.34Å; L973-L1117 HydrophobicContact CD2-CD2 4.42Å; L973-A1120 HydrophobicContact CD1-CB 4.08Å; L973-A1120 HydrophobicContact CD2-CB 3.78Å; L973-A1120 HydrophobicContact CG-CB 4.44Å |
| 974 | C | 74 | Confident | 76.6 | Confident | 18 Ų | 18 | 33 Ų | 33 | 12% | 0.122 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -36.4 | 172.6 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | C970 L971 R976 L1091 | C970-C974 PolarHBondContact O-N 3.25Å; C970-C974 PolarHBondContact O-SG 2.92Å; C970-C974 VanDerWaalsContact O-SG 3.33Å; L971-C974 PolarHBondContact O-N 3.29Å; C974-R976 PolarHBondContact O-N 3.45Å; C974-L1091 HydrophobicContact CB-CD1 4.06Å; C974-L1091 HydrophobicContact CB-CD2 4.36Å |
| 975 | Y | 73.1 | Confident | 75.2 | Confident | 45 Ų | 45 | 33.5 Ų | 33.5 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 21.3 | 173.1 | -78.9 | -90.4 | 0 | 0 | 0 | 114.1 | L923 Q924 P929 L971 L972 L973 A977 | L923-Y975 HydrophobicContact CB-CD1 3.83Å; L923-Y975 HydrophobicContact CB-CD2 4.14Å; L923-Y975 HydrophobicContact CB-CE1 3.9Å; L923-Y975 HydrophobicContact CB-CE2 4.19Å; L923-Y975 HydrophobicContact CB-CG 3.96Å; L923-Y975 HydrophobicContact CD1-CD2 3.62Å; L923-Y975 HydrophobicContact CD1-CE2 4.21Å; L923-Y975 HydrophobicContact CD1-CG 3.8Å; L923-Y975 HydrophobicContact CD2-CG 4.4Å; L923-Y975 HydrophobicContact CG-CD2 4.44Å; L923-Y975 HydrophobicContact CG-CG 4.27Å; Q924-Y975 WeakPolarHBondContact CG-OH 3.43Å; P929-Y975 WeakPolarHBondContact CG-O 3.47Å; L971-Y975 HydrophobicContact CD1-CD2 3.98Å; L971-Y975 HydrophobicContact CD1-CE2 3.78Å; L971-Y975 WeakPolarHBondContact O-CD2 3.48Å; L971-Y975 PolarHBondContact O-N 3.29Å; L971-Y975 VanDerWaalsContact O-N 3.13Å; L972-Y975 CarbonylContact O-C 3.52Å; L972-Y975 PolarHBondContact O-N 3.33Å; L973-Y975 VanDerWaalsContact C-N 3.27Å; L973-Y975 PolarHBondContact O-N 2.8Å; Y975-A977 PolarHBondContact O-N 2.9Å |
| 976 | R | 69.9 | Low | 73.9 | Confident | 164 Ų | 164 | 34.2 Ų | 34.2 | 62% | 0.619 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 37.5 | 176.2 | -53.7 | -176.7 | 177.8 | -168.9 | -0.1 | 115.2 | N930 L972 L973 C974 R978 | N930-R976 PolarHBondContact ND2-O 3.05Å; L972-R976 PolarHBondContact O-N 3.45Å; L973-R976 PolarHBondContact O-N 2.84Å; C974-R976 PolarHBondContact O-N 3.45Å; R976-R978 PolarHBondContact O-N 3.3Å |
| 977 | A | 79.3 | Confident | 73.2 | Confident | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | trans | -65.7 | 128.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | P929 L957 L972 Y975 A979 | P929-A977 HydrophobicContact CB-CB 4.1Å; L957-A977 HydrophobicContact CB-CB 4.27Å; L957-A977 HydrophobicContact CD2-CB 4.13Å; L972-A977 HydrophobicContact CB-CB 3.83Å; L972-A977 WeakPolarHBondContact O-CB 3.32Å; L972-A977 PolarHBondContact O-N 3.3Å; Y975-A977 PolarHBondContact O-N 2.9Å; A977-A979 PolarHBondContact O-N 3Å | ||
| 978 | R | 71.8 | Confident | 72.8 | Confident | 162 Ų | 162 | 34.7 Ų | 34.7 | 61% | 0.611 | 18% | 0.178 | S | C | * | . | trans | -72 | 109.8 | -173 | -68.2 | 179.2 | 72.4 | 124.9 | 3.4 | 111.7 | N930 R976 A980 C981 E1124 | N930-R978 WeakPolarHBondContact OD1-CB 3.49Å; N930-R978 WeakPolarHBondContact OD1-CG 3.35Å; N930-R978 PolarHBondContact OD1-N 2.86Å; R976-R978 PolarHBondContact O-N 3.3Å; R978-A980 PolarHBondContact O-N 2.95Å; R978-C981 HydrophobicContact CB-CB 4.14Å; R978-C981 WeakPolarHBondContact O-CB 3.05Å; R978-C981 PolarHBondContact O-N 3.46Å; R978-C981 PolarHBondContact O-SG 3.34Å; R978-E1124 WeakPolarHBondContact CA-OE1 3.29Å | ||
| 979 | A | 73.4 | Confident | 72.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -33.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L973 A977 C981 P989 L1117 A1120 I1121 E1124 | L973-A979 HydrophobicContact CD2-CB 3.87Å; A977-A979 PolarHBondContact O-N 3Å; A979-C981 VanDerWaalsContact C-N 3.3Å; A979-C981 PolarHBondContact O-N 3.38Å; A979-P989 WeakPolarHBondContact O-CD 3.45Å; A979-L1117 HydrophobicContact CB-CD2 4.13Å; A979-A1120 HydrophobicContact CB-CB 3.76Å; A979-I1121 HydrophobicContact CB-CD1 4.29Å; A979-I1121 HydrophobicContact CB-CG1 3.51Å; A979-E1124 PolarHBondContact N-OE1 2.75Å; A979-E1124 PolarHBondContact N-OE2 2.87Å |
| 980 | A | 68.2 | Low | 72.2 | Confident | 36 Ų | 36 | 34.9 Ų | 34.9 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 7.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R978 E1124 | R978-A980 PolarHBondContact O-N 2.95Å; A980-E1124 WeakPolarHBondContact CB-OE2 3.31Å; A980-E1124 PolarHBondContact N-OE2 3.25Å |
| 981 | C | 70.6 | Confident | 72 | Confident | 21 Ų | 21 | 37.4 Ų | 37.4 | 14% | 0.142 | 19% | 0.19 | C | C | . | . | trans | -61.9 | 157.4 | 175.3 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | H958 R978 A979 S988 P989 | H958-C981 PolarHBondContact CE1-SG 3.02Å; R978-C981 HydrophobicContact CB-CB 4.14Å; R978-C981 WeakPolarHBondContact O-CB 3.05Å; R978-C981 PolarHBondContact O-N 3.46Å; R978-C981 PolarHBondContact O-SG 3.34Å; A979-C981 VanDerWaalsContact C-N 3.3Å; A979-C981 PolarHBondContact O-N 3.38Å; C981-S988 VanDerWaalsContact O-CA 3.31Å; C981-S988 WeakPolarHBondContact O-CA 3.21Å; C981-S988 WeakPolarHBondContact O-CB 3.27Å; C981-P989 WeakPolarHBondContact O-CD 3.31Å | ||
| 982 | R | 66.8 | Low | 72 | Confident | 91 Ų | 91 | 37.9 Ų | 37.9 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | trans | -121.8 | 135.3 | 178.3 | -65.9 | -174.3 | -176.9 | -135.8 | -1.4 | 110.8 | G986 V1027 D1031 | R982-G986 WeakPolarHBondContact CD-O 3.2Å; R982-V1027 PolarHBondContact NH2-O 3.47Å; R982-D1031 IonicContact CZ-OD1 3.73Å; R982-D1031 IonicContact CZ-OD2 2.75Å; R982-D1031 VanDerWaalsContact NH1-CG 3.31Å; R982-D1031 IonicContact NH1-OD1 3.65Å; R982-D1031 PolarHBondContact NH1-OD1 3Å; R982-D1031 IonicContact NH1-OD2 2.8Å; R982-D1031 PolarHBondContact NH1-OD2 3.34Å; R982-D1031 IonicContact NH2-OD1 3.37Å; R982-D1031 PolarHBondContact NH2-OD1 3.41Å; R982-D1031 VanDerWaalsContact NH2-OD1 3.14Å; R982-D1031 IonicContact NH2-OD2 2.71Å; R982-D1031 PolarHBondContact NH2-OD2 3.05Å | ||
| 983 | S | 64.8 | Low | 71.7 | Confident | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | trans | -63.2 | 162.2 | 168.4 | 63.6 | 0 | 0 | 0 | 0 | 110.7 | V953 H958 A985 G986 R987 | V953-S983 CarbonylContact O-C 3.59Å; V953-S983 WeakPolarHBondContact O-CA 3.44Å; V953-S983 WeakPolarHBondContact O-CB 3.4Å; H958-S983 PolarHBondContact NE2-N 3.22Å; H958-S983 VanDerWaalsContact NE2-N 3.12Å; S983-A985 PolarHBondContact O-N 3.43Å; S983-G986 PolarHBondContact O-N 2.69Å; S983-R987 VanDerWaalsContact CB-O 3.29Å; S983-R987 WeakPolarHBondContact CB-O 3.39Å; S983-R987 PolarHBondContact N-O 3.1Å; S983-R987 PolarHBondContact OG-N 2.76Å; S983-R987 PolarHBondContact OG-O 3.46Å | ||
| 984 | G | 56.3 | Low | 71.6 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 25% | 0.247 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L950 V953 | L950-G984 WeakPolarHBondContact CD2-O 3.09Å; L950-G984 WeakPolarHBondContact CG-O 3.18Å; V953-G984 PolarHBondContact O-N 2.95Å |
| 985 | A | 56.9 | Low | 71.7 | Confident | 37 Ų | 37 | 39.3 Ų | 39.3 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 19.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S983 R987 | S983-A985 PolarHBondContact O-N 3.43Å; A985-R987 PolarHBondContact O-N 3.26Å |
| 986 | G | 60.9 | Low | 71.8 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 43% | 0.433 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 74.1 | -21.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R982 S983 | R982-G986 WeakPolarHBondContact CD-O 3.2Å; S983-G986 PolarHBondContact O-N 2.69Å |
| 987 | R | 68 | Low | 71.8 | Confident | 38 Ų | 38 | 31.5 Ų | 31.5 | 14% | 0.143 | 18% | 0.176 | C | C | . | . | trans | -67.3 | 129.7 | -179.9 | -54.5 | -176.1 | -174 | -163.7 | 1.3 | 110.7 | S943 G944 C945 H958 S983 A985 Q991 L992 N995 | S943-R987 PolarHBondContact O-NH2 2.75Å; G944-R987 PolarHBondContact O-NH2 3.38Å; C945-R987 PolarHBondContact SG-NH2 2.96Å; H958-R987 PolarHBondContact NE2-O 2.88Å; S983-R987 VanDerWaalsContact CB-O 3.29Å; S983-R987 WeakPolarHBondContact CB-O 3.39Å; S983-R987 PolarHBondContact N-O 3.1Å; S983-R987 PolarHBondContact OG-N 2.76Å; S983-R987 PolarHBondContact OG-O 3.46Å; A985-R987 PolarHBondContact O-N 3.26Å; R987-Q991 HydrophobicContact CB-CB 4.33Å; R987-Q991 HydrophobicContact CB-CG 4.38Å; R987-Q991 HydrophobicContact CG-CG 4.5Å; R987-L992 HydrophobicContact CB-CD2 4.28Å; R987-N995 PolarHBondContact NH1-ND2 3.05Å | ||
| 988 | S | 76.9 | Confident | 71.1 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | trans | -83.1 | 167.5 | 170.8 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | C981 M990 Q991 L992 | C981-S988 VanDerWaalsContact O-CA 3.31Å; C981-S988 WeakPolarHBondContact O-CA 3.21Å; C981-S988 WeakPolarHBondContact O-CB 3.27Å; S988-M990 PolarHBondContact O-N 2.87Å; S988-Q991 PolarHBondContact O-N 3.25Å; S988-Q991 VanDerWaalsContact O-N 3.08Å; S988-Q991 PolarHBondContact OG-N 2.92Å; S988-L992 PolarHBondContact O-N 2.96Å | ||
| 989 | P | 80.7 | Confident | 70.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -51.5 | -42.2 | 169 | -27.4 | 34.5 | 0 | 0 | 0 | 112.4 | L957 V961 A979 C981 Q991 L992 A993 L1117 | L957-P989 HydrophobicContact CD2-CB 4.37Å; L957-P989 HydrophobicContact CD2-CG 4.07Å; L957-P989 HydrophobicContact CG-CB 4.34Å; L957-P989 HydrophobicContact CG-CG 4.27Å; V961-P989 HydrophobicContact CG2-CB 4.25Å; A979-P989 WeakPolarHBondContact O-CD 3.45Å; C981-P989 WeakPolarHBondContact O-CD 3.31Å; P989-Q991 PolarHBondContact O-N 3.39Å; P989-L992 WeakPolarHBondContact O-CB 3.45Å; P989-L992 PolarHBondContact O-N 2.8Å; P989-L992 VanDerWaalsContact O-N 3.14Å; P989-A993 PolarHBondContact O-N 2.89Å; P989-L1117 HydrophobicContact CB-CD1 4.2Å; P989-L1117 HydrophobicContact CB-CD2 4.12Å |
| 990 | M | 79.6 | Confident | 69.5 | Low | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63 | -40 | 177.3 | -161.7 | -179.8 | -149.7 | 0 | 0 | 112.3 | S988 L992 A993 L994 A1023 A1118 I1121 | S988-M990 PolarHBondContact O-N 2.87Å; M990-L992 VanDerWaalsContact C-N 3.32Å; M990-L992 PolarHBondContact O-N 2.92Å; M990-A993 PolarHBondContact O-N 2.79Å; M990-L994 HydrophobicContact CG-CD1 4.43Å; M990-L994 WeakPolarHBondContact O-CG 3.48Å; M990-L994 PolarHBondContact O-N 3.37Å; M990-A1023 HydrophobicContact CE-CB 3.6Å; M990-A1023 HydrophobicContact CG-CB 4.04Å; M990-A1023 HydrophobicContact SD-CB 3.38Å; M990-A1023 WeakPolarHBondContact SD-CB 3.29Å; M990-A1118 HydrophobicContact CE-CB 3.54Å; M990-I1121 HydrophobicContact CB-CD1 3.81Å; M990-I1121 HydrophobicContact CG-CD1 4.2Å; M990-I1121 HydrophobicContact SD-CD1 3.62Å |
| 991 | Q | 76.2 | Confident | 68.5 | Low | 60 Ų | 60 | 38.8 Ų | 38.8 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.1 | -32.8 | 174.9 | -167.4 | 63 | 59.3 | 0 | 0 | 112.2 | R987 S988 P989 N995 | R987-Q991 HydrophobicContact CB-CB 4.33Å; R987-Q991 HydrophobicContact CB-CG 4.38Å; R987-Q991 HydrophobicContact CG-CG 4.5Å; S988-Q991 PolarHBondContact O-N 3.25Å; S988-Q991 VanDerWaalsContact O-N 3.08Å; S988-Q991 PolarHBondContact OG-N 2.92Å; P989-Q991 PolarHBondContact O-N 3.39Å; Q991-N995 PolarHBondContact NE2-OD1 3.11Å; Q991-N995 WeakPolarHBondContact O-CB 3.07Å; Q991-N995 PolarHBondContact O-N 2.67Å; Q991-N995 PolarHBondContact O-OD1 3.09Å; Q991-N995 VanDerWaalsContact O-OD1 3.05Å |
| 992 | L | 80.1 | Confident | 67.1 | Low | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 172.2 | -65.4 | -175.4 | 0 | 0 | 0 | 111.7 | L942 F954 H958 V961 R987 S988 P989 M990 L994 N995 A996 | L942-L992 HydrophobicContact CD1-CD2 3.97Å; L942-L992 HydrophobicContact CD2-CD2 4.43Å; F954-L992 HydrophobicContact CE1-CD1 4.35Å; H958-L992 HydrophobicContact CB-CD1 4.15Å; V961-L992 HydrophobicContact CG1-CB 3.98Å; R987-L992 HydrophobicContact CB-CD2 4.28Å; S988-L992 PolarHBondContact O-N 2.96Å; P989-L992 WeakPolarHBondContact O-CB 3.45Å; P989-L992 PolarHBondContact O-N 2.8Å; P989-L992 VanDerWaalsContact O-N 3.14Å; M990-L992 VanDerWaalsContact C-N 3.32Å; M990-L992 PolarHBondContact O-N 2.92Å; L992-L994 PolarHBondContact O-N 3.22Å; L992-N995 PolarHBondContact O-N 3.27Å; L992-A996 WeakPolarHBondContact O-CB 3.06Å; L992-A996 PolarHBondContact O-N 3.17Å |
| 993 | A | 80.2 | Confident | 66 | Low | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V961 P989 M990 A996 L997 I1113 A1114 L1117 | V961-A993 HydrophobicContact CG1-CB 3.9Å; P989-A993 PolarHBondContact O-N 2.89Å; M990-A993 PolarHBondContact O-N 2.79Å; A993-A996 PolarHBondContact O-N 3.28Å; A993-L997 WeakPolarHBondContact O-CG 3.21Å; A993-L997 PolarHBondContact O-N 3.03Å; A993-I1113 HydrophobicContact CB-CG2 3.98Å; A993-A1114 HydrophobicContact CB-CB 4.35Å; A993-L1117 HydrophobicContact CB-CD1 4.05Å |
| 994 | L | 76.2 | Confident | 64.8 | Low | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.12 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 177.1 | -70 | 169 | 0 | 0 | 0 | 113.2 | M990 L992 A996 L997 G998 A1020 A1023 | M990-L994 HydrophobicContact CG-CD1 4.43Å; M990-L994 WeakPolarHBondContact O-CG 3.48Å; M990-L994 PolarHBondContact O-N 3.37Å; L992-L994 PolarHBondContact O-N 3.22Å; L994-A996 VanDerWaalsContact C-N 3.28Å; L994-A996 PolarHBondContact O-N 2.84Å; L994-L997 HydrophobicContact CD2-CD1 4.26Å; L994-L997 WeakPolarHBondContact O-CB 3.36Å; L994-L997 PolarHBondContact O-N 3.11Å; L994-L997 VanDerWaalsContact O-N 3.14Å; L994-G998 PolarHBondContact O-N 2.81Å; L994-A1020 HydrophobicContact CD2-CB 3.97Å; L994-A1023 HydrophobicContact CD1-CB 3.41Å; L994-A1023 VanDerWaalsContact CD1-CB 3.41Å |
| 995 | N | 76.4 | Confident | 63.6 | Low | 54 Ų | 54 | 55.4 Ų | 55.4 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 174.2 | -73.2 | 20.5 | 0 | 0 | 0 | 111 | R987 Q991 L992 L997 G998 Q999 | R987-N995 PolarHBondContact NH1-ND2 3.05Å; Q991-N995 PolarHBondContact NE2-OD1 3.11Å; Q991-N995 WeakPolarHBondContact O-CB 3.07Å; Q991-N995 PolarHBondContact O-N 2.67Å; Q991-N995 PolarHBondContact O-OD1 3.09Å; Q991-N995 VanDerWaalsContact O-OD1 3.05Å; L992-N995 PolarHBondContact O-N 3.27Å; N995-L997 VanDerWaalsContact C-N 3.31Å; N995-G998 PolarHBondContact O-N 2.9Å; N995-Q999 WeakPolarHBondContact O-CG 3.44Å; N995-Q999 PolarHBondContact O-N 2.78Å; N995-Q999 VanDerWaalsContact O-N 3.12Å |
| 996 | A | 75.1 | Confident | 62.7 | Low | 26 Ų | 26 | 56.8 Ų | 56.8 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.3 | -23.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L992 A993 L994 V1000 N1110 | L992-A996 WeakPolarHBondContact O-CB 3.06Å; L992-A996 PolarHBondContact O-N 3.17Å; A993-A996 PolarHBondContact O-N 3.28Å; L994-A996 VanDerWaalsContact C-N 3.28Å; L994-A996 PolarHBondContact O-N 2.84Å; A996-V1000 WeakPolarHBondContact O-CG2 3.48Å; A996-N1110 PolarHBondContact O-ND2 2.87Å; A996-N1110 VanDerWaalsContact O-ND2 3.13Å |
| 997 | L | 70.5 | Confident | 61.7 | Low | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.094 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -74.8 | -41.5 | 167.9 | -74.6 | 167 | 0 | 0 | 0 | 111.8 | A993 L994 N995 Q999 V1000 N1110 V1111 A1114 | A993-L997 WeakPolarHBondContact O-CG 3.21Å; A993-L997 PolarHBondContact O-N 3.03Å; L994-L997 HydrophobicContact CD2-CD1 4.26Å; L994-L997 WeakPolarHBondContact O-CB 3.36Å; L994-L997 PolarHBondContact O-N 3.11Å; L994-L997 VanDerWaalsContact O-N 3.14Å; N995-L997 VanDerWaalsContact C-N 3.31Å; L997-Q999 PolarHBondContact O-N 2.8Å; L997-V1000 PolarHBondContact O-N 2.9Å; L997-N1110 HydrophobicContact CD2-CB 3.54Å; L997-N1110 HydrophobicContact CG-CB 3.83Å; L997-V1111 HydrophobicContact CD1-CG2 4.42Å; L997-V1111 HydrophobicContact CD2-CG2 3.56Å; L997-A1114 HydrophobicContact CD1-CB 3.97Å |
| 998 | G | 63.2 | Low | 60.4 | Low | 43 Ų | 43 | 63.3 Ų | 63.3 | 44% | 0.443 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L994 N995 V1000 H1001 | L994-G998 PolarHBondContact O-N 2.81Å; N995-G998 PolarHBondContact O-N 2.9Å; G998-V1000 VanDerWaalsContact C-N 3.29Å; G998-V1000 PolarHBondContact O-N 2.96Å; G998-H1001 VanDerWaalsContact O-CB 3.31Å; G998-H1001 WeakPolarHBondContact O-CB 3.24Å; G998-H1001 PolarHBondContact O-N 2.72Å |
| 999 | Q | 59.2 | Low | 58.6 | Low | 121 Ų | 121 | 74 Ų | 74 | 57% | 0.565 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.8 | -22.9 | -177.7 | -71.6 | 179 | -22.5 | 0 | 0 | 114.5 | N995 L997 H1001 S1003 | N995-Q999 WeakPolarHBondContact O-CG 3.44Å; N995-Q999 PolarHBondContact O-N 2.78Å; N995-Q999 VanDerWaalsContact O-N 3.12Å; L997-Q999 PolarHBondContact O-N 2.8Å; Q999-H1001 VanDerWaalsContact C-N 3.27Å; Q999-S1003 PolarHBondContact O-OG 3.31Å |
| 1000 | V | 52.4 | Low | 56.7 | Low | 60 Ų | 60 | 85.4 Ų | 85.4 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71 | -27.1 | 173 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | A996 L997 G998 E1002 S1003 Q1004 | A996-V1000 WeakPolarHBondContact O-CG2 3.48Å; L997-V1000 PolarHBondContact O-N 2.9Å; G998-V1000 VanDerWaalsContact C-N 3.29Å; G998-V1000 PolarHBondContact O-N 2.96Å; V1000-E1002 VanDerWaalsContact C-N 3.34Å; V1000-E1002 PolarHBondContact O-N 3.49Å; V1000-S1003 PolarHBondContact O-N 3.12Å; V1000-S1003 PolarHBondContact O-OG 2.94Å; V1000-Q1004 PolarHBondContact O-N 3.14Å |
| 1001 | H | 46.7 | Very low | 55.1 | Low | 129 Ų | 129 | 88.6 Ų | 88.6 | 60% | 0.597 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -21.7 | -172.3 | -127.4 | -70 | 0 | 0 | 0 | 114.4 | G998 Q999 | G998-H1001 VanDerWaalsContact O-CB 3.31Å; G998-H1001 WeakPolarHBondContact O-CB 3.24Å; G998-H1001 PolarHBondContact O-N 2.72Å; Q999-H1001 VanDerWaalsContact C-N 3.27Å |
| 1002 | E | 43.2 | Very low | 53.6 | Low | 186 Ų | 186 | 90.1 Ų | 90.1 | 87% | 0.869 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -15.6 | 176.1 | -63.2 | -175.8 | 141.6 | 0 | 0 | 113 | V1000 | V1000-E1002 VanDerWaalsContact C-N 3.34Å; V1000-E1002 PolarHBondContact O-N 3.49Å |
| 1003 | S | 43.7 | Very low | 51.7 | Low | 87 Ų | 87 | 95.5 Ų | 95.5 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | -12.7 | -167 | 51.2 | 0 | 0 | 0 | 0 | 115.6 | Q999 V1000 | Q999-S1003 PolarHBondContact O-OG 3.31Å; V1000-S1003 PolarHBondContact O-N 3.12Å; V1000-S1003 PolarHBondContact O-OG 2.94Å |
| 1004 | Q | 38.8 | Very low | 50 | Low | 131 Ų | 131 | 98.5 Ų | 98.5 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | trans | -130.2 | 69.6 | 179.2 | -66.1 | -162.6 | -0 | 0 | 0 | 114.1 | V1000 A1006 | V1000-Q1004 PolarHBondContact O-N 3.14Å; Q1004-A1006 VanDerWaalsContact C-N 3.32Å; Q1004-A1006 PolarHBondContact O-N 2.96Å | ||
| 1005 | G | 30.9 | Very low | 48.9 | Very low | 88 Ų | 88 | 99.3 Ų | 99.3 | 91% | 0.907 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 67.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1006 | A | 38.5 | Very low | 47.5 | Very low | 65 Ų | 65 | 99.1 Ų | 99.1 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -162.7 | -59.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1004 | Q1004-A1006 VanDerWaalsContact C-N 3.32Å; Q1004-A1006 PolarHBondContact O-N 2.96Å |
| 1007 | N | 38.5 | Very low | 46.2 | Very low | 152 Ų | 152 | 101 Ų | 101 | 81% | 0.813 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -5.1 | -154.9 | -72.1 | -23 | 0 | 0 | 0 | 116 | R1009 | N1007-R1009 PolarHBondContact O-N 2.96Å; N1007-R1009 VanDerWaalsContact O-N 3.17Å |
| 1008 | V | 41.9 | Very low | 45.2 | Very low | 65 Ų | 65 | 102.3 Ų | 102.3 | 39% | 0.394 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -13.2 | -175.4 | -174.7 | 0 | 0 | 0 | 0 | 113.3 | R1010 | V1008-R1010 PolarHBondContact O-N 3.45Š|
| 1009 | R | 38.3 | Very low | 44.7 | Very low | 233 Ų | 233 | 100.8 Ų | 100.8 | 88% | 0.879 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 24.5 | -170.3 | -61.8 | -173.2 | 174.7 | -167.6 | -0.3 | 116.8 | N1007 | N1007-R1009 PolarHBondContact O-N 2.96Å; N1007-R1009 VanDerWaalsContact O-N 3.17Å |
| 1010 | R | 41 | Very low | 44.2 | Very low | 239 Ų | 239 | 95.9 Ų | 95.9 | 90% | 0.902 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -20.7 | 179 | -118.8 | 179.9 | -175.9 | 157 | 0.8 | 115.5 | V1008 | V1008-R1010 PolarHBondContact O-N 3.45Š|
| 1011 | F | 46.3 | Very low | 43.9 | Very low | 69 Ų | 69 | 96 Ų | 96 | 30% | 0.303 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -93.7 | 130.9 | 163.3 | -78.9 | -84.9 | 0 | 0 | 0 | 108.6 | V1013 G1106 V1107 | F1011-V1013 PolarHBondContact O-N 3.38Å; F1011-G1106 VanDerWaalsContact CE2-O 3.25Å; F1011-G1106 WeakPolarHBondContact CE2-O 3.23Å; F1011-V1107 HydrophobicContact CE1-CG2 3.95Å; F1011-V1107 HydrophobicContact CZ-CB 4.37Å; F1011-V1107 HydrophobicContact CZ-CG2 3.8Å |
| 1012 | D | 43.7 | Very low | 43.9 | Very low | 93 Ų | 93 | 90.5 Ų | 90.5 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | trans | -61.9 | 134.9 | -161.3 | -131 | -19.6 | 0 | 0 | 0 | 111.7 | A1014 L1015 R1164 | D1012-A1014 PolarHBondContact O-N 2.99Å; D1012-L1015 PolarHBondContact O-N 2.8Å; D1012-R1164 IonicContact OD2-NH1 2.68Å; D1012-R1164 PolarHBondContact OD2-NH1 3.31Å; D1012-R1164 VanDerWaalsContact OD2-NH1 3.11Å | ||
| 1013 | V | 41.2 | Very low | 44.2 | Very low | 122 Ų | 122 | 81.7 Ų | 81.7 | 74% | 0.739 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -11.5 | -178 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | F1011 P1017 | F1011-V1013 PolarHBondContact O-N 3.38Å; V1013-P1017 WeakPolarHBondContact O-CD 3.43Å; V1013-P1017 WeakPolarHBondContact O-CG 3.26Å |
| 1014 | A | 45.4 | Very low | 44.2 | Very low | 65 Ų | 65 | 84.5 Ų | 84.5 | 54% | 0.537 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -32 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1012 V1016 P1017 F1018 | D1012-A1014 PolarHBondContact O-N 2.99Å; A1014-V1016 PolarHBondContact O-N 2.88Å; A1014-P1017 WeakPolarHBondContact O-CD 3.41Å; A1014-F1018 VanDerWaalsContact O-CB 3.26Å; A1014-F1018 WeakPolarHBondContact O-CB 3.46Å; A1014-F1018 PolarHBondContact O-N 3.49Å |
| 1015 | L | 51.9 | Low | 44.5 | Very low | 39 Ų | 39 | 82 Ų | 82 | 20% | 0.204 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71 | -37 | -169.7 | -174.2 | 65.8 | 0 | 0 | 0 | 112.7 | D1012 F1018 L1019 V1111 | D1012-L1015 PolarHBondContact O-N 2.8Å; L1015-F1018 HydrophobicContact CD1-CD1 4.26Å; L1015-F1018 PolarHBondContact O-N 2.92Å; L1015-L1019 HydrophobicContact CD1-CD1 4.38Å; L1015-L1019 HydrophobicContact CD1-CG 4.3Å; L1015-L1019 HydrophobicContact CG-CD1 4.09Å; L1015-L1019 HydrophobicContact CG-CG 4.42Å; L1015-L1019 WeakPolarHBondContact O-CB 3.39Å; L1015-L1019 WeakPolarHBondContact O-CG 3.47Å; L1015-L1019 PolarHBondContact O-N 2.93Å; L1015-V1111 HydrophobicContact CD2-CG1 4.31Å |
| 1016 | V | 47 | Very low | 45.1 | Very low | 50 Ų | 50 | 78.2 Ų | 78.2 | 30% | 0.303 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.6 | -47 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | A1014 F1018 A1020 | A1014-V1016 PolarHBondContact O-N 2.88Å; V1016-F1018 VanDerWaalsContact C-N 3.32Å; V1016-F1018 PolarHBondContact O-N 3.03Å; V1016-A1020 WeakPolarHBondContact O-CB 3.48Å; V1016-A1020 PolarHBondContact O-N 2.57Å |
| 1017 | P | 47 | Very low | 45.3 | Very low | 66 Ų | 66 | 76.5 Ų | 76.5 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.4 | -38.6 | 167.8 | -27.9 | 36.4 | 0 | 0 | 0 | 114 | V1013 A1014 A1020 S1021 | V1013-P1017 WeakPolarHBondContact O-CD 3.43Å; V1013-P1017 WeakPolarHBondContact O-CG 3.26Å; A1014-P1017 WeakPolarHBondContact O-CD 3.41Å; P1017-A1020 CarbonylContact O-C 3.47Å; P1017-A1020 PolarHBondContact O-N 2.88Å; P1017-S1021 VanDerWaalsContact O-CB 3.25Å; P1017-S1021 WeakPolarHBondContact O-CB 3.49Å; P1017-S1021 PolarHBondContact O-N 2.93Å; P1017-S1021 PolarHBondContact O-OG 2.98Å |
| 1018 | F | 49.8 | Very low | 45.3 | Very low | 45 Ų | 45 | 78 Ų | 78 | 20% | 0.197 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.7 | -57.1 | 176.5 | 174.4 | -100.9 | 0 | 0 | 0 | 111.4 | A1014 L1015 V1016 A1020 S1021 V1022 V1159 E1162 | A1014-F1018 VanDerWaalsContact O-CB 3.26Å; A1014-F1018 WeakPolarHBondContact O-CB 3.46Å; A1014-F1018 PolarHBondContact O-N 3.49Å; L1015-F1018 HydrophobicContact CD1-CD1 4.26Å; L1015-F1018 PolarHBondContact O-N 2.92Å; V1016-F1018 VanDerWaalsContact C-N 3.32Å; V1016-F1018 PolarHBondContact O-N 3.03Å; F1018-A1020 VanDerWaalsContact C-N 3.26Å; F1018-A1020 PolarHBondContact O-N 2.88Å; F1018-S1021 CarbonylContact O-C 3.5Å; F1018-S1021 WeakPolarHBondContact O-CA 3.42Å; F1018-S1021 WeakPolarHBondContact O-CB 3.34Å; F1018-S1021 PolarHBondContact O-N 3.29Å; F1018-V1022 HydrophobicContact CD1-CG2 4.3Å; F1018-V1022 HydrophobicContact CD2-CG2 4.27Å; F1018-V1022 HydrophobicContact CE1-CG2 3.9Å; F1018-V1022 HydrophobicContact CE2-CG2 3.85Å; F1018-V1022 HydrophobicContact CG-CG2 4.48Å; F1018-V1022 HydrophobicContact CZ-CG2 3.66Å; F1018-V1022 PolarHBondContact O-N 2.79Å; F1018-V1159 HydrophobicContact CZ-CG2 4.49Å; F1018-E1162 WeakPolarHBondContact CE2-OE2 3.35Å; F1018-E1162 HydrophobicContact CZ-CB 4.34Å; F1018-E1162 WeakPolarHBondContact CZ-OE2 3.32Å |
| 1019 | L | 52.7 | Low | 45 | Very low | 11 Ų | 11 | 77 Ų | 77 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.6 | -38.1 | 176.9 | -70.7 | 173.2 | 0 | 0 | 0 | 111.7 | L1015 S1021 A1023 V1111 | L1015-L1019 HydrophobicContact CD1-CD1 4.38Å; L1015-L1019 HydrophobicContact CD1-CG 4.3Å; L1015-L1019 HydrophobicContact CG-CD1 4.09Å; L1015-L1019 HydrophobicContact CG-CG 4.42Å; L1015-L1019 WeakPolarHBondContact O-CB 3.39Å; L1015-L1019 WeakPolarHBondContact O-CG 3.47Å; L1015-L1019 PolarHBondContact O-N 2.93Å; L1019-S1021 VanDerWaalsContact C-N 3.27Å; L1019-S1021 PolarHBondContact O-N 3.31Å; L1019-A1023 WeakPolarHBondContact O-CB 3.47Å; L1019-A1023 PolarHBondContact O-N 2.87Å; L1019-V1111 HydrophobicContact CD1-CG1 4.14Å |
| 1020 | A | 48.4 | Very low | 44.9 | Very low | 19 Ų | 19 | 67.2 Ų | 67.2 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.8 | -15.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L994 V1016 P1017 F1018 R1024 | L994-A1020 HydrophobicContact CD2-CB 3.97Å; V1016-A1020 WeakPolarHBondContact O-CB 3.48Å; V1016-A1020 PolarHBondContact O-N 2.57Å; P1017-A1020 CarbonylContact O-C 3.47Å; P1017-A1020 PolarHBondContact O-N 2.88Å; F1018-A1020 VanDerWaalsContact C-N 3.26Å; F1018-A1020 PolarHBondContact O-N 2.88Å; A1020-R1024 WeakPolarHBondContact O-CB 3.25Å; A1020-R1024 WeakPolarHBondContact O-CG 3.23Å; A1020-R1024 PolarHBondContact O-N 2.97Å; A1020-R1024 PolarHBondContact O-NE 2.86Å |
| 1021 | S | 46.4 | Very low | 44.4 | Very low | 61 Ų | 61 | 59.3 Ų | 59.3 | 43% | 0.427 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -94.2 | -44.7 | 176.5 | -59 | 0 | 0 | 0 | 0 | 111 | P1017 F1018 L1019 A1023 R1024 L1025 | P1017-S1021 VanDerWaalsContact O-CB 3.25Å; P1017-S1021 WeakPolarHBondContact O-CB 3.49Å; P1017-S1021 PolarHBondContact O-N 2.93Å; P1017-S1021 PolarHBondContact O-OG 2.98Å; F1018-S1021 CarbonylContact O-C 3.5Å; F1018-S1021 WeakPolarHBondContact O-CA 3.42Å; F1018-S1021 WeakPolarHBondContact O-CB 3.34Å; F1018-S1021 PolarHBondContact O-N 3.29Å; L1019-S1021 VanDerWaalsContact C-N 3.27Å; L1019-S1021 PolarHBondContact O-N 3.31Å; S1021-A1023 VanDerWaalsContact C-N 3.27Å; S1021-A1023 PolarHBondContact O-N 3.39Å; S1021-R1024 PolarHBondContact O-N 3.24Å; S1021-R1024 VanDerWaalsContact O-N 3.13Å; S1021-L1025 WeakPolarHBondContact O-CB 3.32Å; S1021-L1025 PolarHBondContact O-N 2.95Å |
| 1022 | V | 47.3 | Very low | 43.9 | Very low | 15 Ų | 15 | 60.4 Ų | 60.4 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.6 | -47 | 166.1 | 171.7 | 0 | 0 | 0 | 0 | 110 | F1018 R1024 L1025 L1026 F1155 | F1018-V1022 HydrophobicContact CD1-CG2 4.3Å; F1018-V1022 HydrophobicContact CD2-CG2 4.27Å; F1018-V1022 HydrophobicContact CE1-CG2 3.9Å; F1018-V1022 HydrophobicContact CE2-CG2 3.85Å; F1018-V1022 HydrophobicContact CG-CG2 4.48Å; F1018-V1022 HydrophobicContact CZ-CG2 3.66Å; F1018-V1022 PolarHBondContact O-N 2.79Å; V1022-R1024 PolarHBondContact O-N 2.89Å; V1022-L1025 WeakPolarHBondContact O-CB 3.38Å; V1022-L1025 PolarHBondContact O-N 3.22Å; V1022-L1026 HydrophobicContact CG1-CD1 3.76Å; V1022-L1026 HydrophobicContact CG1-CG 4.34Å; V1022-L1026 WeakPolarHBondContact O-CB 3.33Å; V1022-L1026 WeakPolarHBondContact O-CG 3.4Å; V1022-L1026 PolarHBondContact O-N 3Å; V1022-F1155 HydrophobicContact CG1-CZ 4.26Å |
| 1023 | A | 48.7 | Very low | 43.3 | Very low | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M990 L994 L1019 S1021 L1025 L1026 V1027 | M990-A1023 HydrophobicContact CE-CB 3.6Å; M990-A1023 HydrophobicContact CG-CB 4.04Å; M990-A1023 HydrophobicContact SD-CB 3.38Å; M990-A1023 WeakPolarHBondContact SD-CB 3.29Å; L994-A1023 HydrophobicContact CD1-CB 3.41Å; L994-A1023 VanDerWaalsContact CD1-CB 3.41Å; L1019-A1023 WeakPolarHBondContact O-CB 3.47Å; L1019-A1023 PolarHBondContact O-N 2.87Å; S1021-A1023 VanDerWaalsContact C-N 3.27Å; S1021-A1023 PolarHBondContact O-N 3.39Å; A1023-L1025 VanDerWaalsContact C-N 3.26Å; A1023-L1025 PolarHBondContact O-N 3.45Å; A1023-L1026 PolarHBondContact O-N 3.06Å; A1023-V1027 WeakPolarHBondContact O-CB 3.38Å; A1023-V1027 WeakPolarHBondContact O-CG2 3.26Å; A1023-V1027 PolarHBondContact O-N 3.47Å |
| 1024 | R | 45.3 | Very low | 42.7 | Very low | 145 Ų | 145 | 58.5 Ų | 58.5 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.8 | -28.9 | 177.4 | -84.2 | 179 | -74.3 | -171.1 | -0.2 | 112.2 | A1020 S1021 V1022 R1028 | A1020-R1024 WeakPolarHBondContact O-CB 3.25Å; A1020-R1024 WeakPolarHBondContact O-CG 3.23Å; A1020-R1024 PolarHBondContact O-N 2.97Å; A1020-R1024 PolarHBondContact O-NE 2.86Å; S1021-R1024 PolarHBondContact O-N 3.24Å; S1021-R1024 VanDerWaalsContact O-N 3.13Å; V1022-R1024 PolarHBondContact O-N 2.89Å; R1024-R1028 VanDerWaalsContact O-CB 3.25Å; R1024-R1028 WeakPolarHBondContact O-CB 3.45Å; R1024-R1028 WeakPolarHBondContact O-CD 3.26Å; R1024-R1028 WeakPolarHBondContact O-CG 3.5Å; R1024-R1028 PolarHBondContact O-N 3.02Å; R1024-R1028 VanDerWaalsContact O-N 3.11Å |
| 1025 | L | 45 | Very low | 41.9 | Very low | 80 Ų | 80 | 63.2 Ų | 63.2 | 42% | 0.419 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70 | -52.9 | 171.8 | -170.1 | 69 | 0 | 0 | 0 | 111 | S1021 V1022 A1023 V1027 R1028 M1029 | S1021-L1025 WeakPolarHBondContact O-CB 3.32Å; S1021-L1025 PolarHBondContact O-N 2.95Å; V1022-L1025 WeakPolarHBondContact O-CB 3.38Å; V1022-L1025 PolarHBondContact O-N 3.22Å; A1023-L1025 VanDerWaalsContact C-N 3.26Å; A1023-L1025 PolarHBondContact O-N 3.45Å; L1025-V1027 PolarHBondContact O-N 2.96Å; L1025-R1028 PolarHBondContact O-N 3.01Å; L1025-M1029 HydrophobicContact CD1-CE 4.32Å; L1025-M1029 HydrophobicContact CD2-CE 4.25Å; L1025-M1029 HydrophobicContact CG-CE 4.01Å; L1025-M1029 HydrophobicContact CG-SD 4.18Å; L1025-M1029 WeakPolarHBondContact O-CG 3.29Å; L1025-M1029 PolarHBondContact O-N 3.48Å |
| 1026 | L | 42.5 | Very low | 40.6 | Very low | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 179.7 | -67.2 | 171.6 | 0 | 0 | 0 | 112.8 | V1022 A1023 M1029 A1030 I1121 | V1022-L1026 HydrophobicContact CG1-CD1 3.76Å; V1022-L1026 HydrophobicContact CG1-CG 4.34Å; V1022-L1026 WeakPolarHBondContact O-CB 3.33Å; V1022-L1026 WeakPolarHBondContact O-CG 3.4Å; V1022-L1026 PolarHBondContact O-N 3Å; A1023-L1026 PolarHBondContact O-N 3.06Å; L1026-M1029 HydrophobicContact CD2-SD 4.37Å; L1026-M1029 PolarHBondContact O-N 3.45Å; L1026-A1030 WeakPolarHBondContact O-CB 3.5Å; L1026-A1030 PolarHBondContact O-N 3.28Å; L1026-I1121 HydrophobicContact CB-CG2 3.86Å; L1026-I1121 HydrophobicContact CD1-CB 4.25Å; L1026-I1121 HydrophobicContact CD1-CG2 3.96Å; L1026-I1121 HydrophobicContact CD2-CG2 4.3Å; L1026-I1121 HydrophobicContact CG-CG2 4.26Å |
| 1027 | V | 43.1 | Very low | 39.6 | Very low | 29 Ų | 29 | 70 Ų | 70 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 173.7 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | R982 A1023 L1025 A1030 D1031 | R982-V1027 PolarHBondContact NH2-O 3.47Å; A1023-V1027 WeakPolarHBondContact O-CB 3.38Å; A1023-V1027 WeakPolarHBondContact O-CG2 3.26Å; A1023-V1027 PolarHBondContact O-N 3.47Å; L1025-V1027 PolarHBondContact O-N 2.96Å; V1027-A1030 CarbonylContact O-C 3.52Å; V1027-A1030 PolarHBondContact O-N 3.44Å; V1027-D1031 WeakPolarHBondContact CG1-OD2 3.4Å; V1027-D1031 PolarHBondContact O-N 3.01Å |
| 1028 | R | 38.7 | Very low | 38.6 | Very low | 182 Ų | 182 | 72.8 Ų | 72.8 | 69% | 0.687 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 174.1 | -80.5 | 172.8 | 173.1 | -170.4 | -4.5 | 112.5 | R1024 L1025 A1030 D1031 S1032 | R1024-R1028 VanDerWaalsContact O-CB 3.25Å; R1024-R1028 WeakPolarHBondContact O-CB 3.45Å; R1024-R1028 WeakPolarHBondContact O-CD 3.26Å; R1024-R1028 WeakPolarHBondContact O-CG 3.5Å; R1024-R1028 PolarHBondContact O-N 3.02Å; R1024-R1028 VanDerWaalsContact O-N 3.11Å; L1025-R1028 PolarHBondContact O-N 3.01Å; R1028-A1030 VanDerWaalsContact C-N 3.31Å; R1028-A1030 PolarHBondContact O-N 3.24Å; R1028-D1031 PolarHBondContact O-N 3.1Å; R1028-S1032 WeakPolarHBondContact O-CB 3.14Å; R1028-S1032 PolarHBondContact O-N 3.38Å; R1028-S1032 PolarHBondContact O-OG 3.39Å |
| 1029 | M | 35.2 | Very low | 37.5 | Very low | 45 Ų | 45 | 76 Ų | 76 | 22% | 0.222 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 173.3 | -72.3 | 166 | 162.3 | 0 | 0 | 111 | L1025 L1026 S1032 L1033 I1151 | L1025-M1029 HydrophobicContact CD1-CE 4.32Å; L1025-M1029 HydrophobicContact CD2-CE 4.25Å; L1025-M1029 HydrophobicContact CG-CE 4.01Å; L1025-M1029 HydrophobicContact CG-SD 4.18Å; L1025-M1029 WeakPolarHBondContact O-CG 3.29Å; L1025-M1029 PolarHBondContact O-N 3.48Å; L1026-M1029 HydrophobicContact CD2-SD 4.37Å; L1026-M1029 PolarHBondContact O-N 3.45Å; M1029-S1032 PolarHBondContact O-N 3.48Å; M1029-L1033 WeakPolarHBondContact O-CB 3.43Å; M1029-L1033 VanDerWaalsContact O-CG 3.31Å; M1029-L1033 WeakPolarHBondContact O-CG 3.22Å; M1029-L1033 PolarHBondContact O-N 2.59Å; M1029-I1151 HydrophobicContact CE-CD1 3.75Å |
| 1030 | A | 35.9 | Very low | 36.1 | Very low | 27 Ų | 27 | 82.5 Ų | 82.5 | 22% | 0.223 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -67.2 | -34.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1026 V1027 R1028 T1034 | L1026-A1030 WeakPolarHBondContact O-CB 3.5Å; L1026-A1030 PolarHBondContact O-N 3.28Å; V1027-A1030 CarbonylContact O-C 3.52Å; V1027-A1030 PolarHBondContact O-N 3.44Å; R1028-A1030 VanDerWaalsContact C-N 3.31Å; R1028-A1030 PolarHBondContact O-N 3.24Å; A1030-T1034 PolarHBondContact O-N 3.24Å; A1030-T1034 PolarHBondContact O-OG1 2.99Å |
| 1031 | D | 32 | Very low | 34.9 | Very low | 73 Ų | 73 | 84.9 Ų | 84.9 | 39% | 0.39 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.9 | -44.3 | 172.2 | -78 | -65.8 | 0 | 0 | 0 | 111.4 | R982 V1027 R1028 L1033 T1034 | R982-D1031 IonicContact CZ-OD1 3.73Å; R982-D1031 IonicContact CZ-OD2 2.75Å; R982-D1031 VanDerWaalsContact NH1-CG 3.31Å; R982-D1031 IonicContact NH1-OD1 3.65Å; R982-D1031 PolarHBondContact NH1-OD1 3Å; R982-D1031 IonicContact NH1-OD2 2.8Å; R982-D1031 PolarHBondContact NH1-OD2 3.34Å; R982-D1031 IonicContact NH2-OD1 3.37Å; R982-D1031 PolarHBondContact NH2-OD1 3.41Å; R982-D1031 VanDerWaalsContact NH2-OD1 3.14Å; R982-D1031 IonicContact NH2-OD2 2.71Å; R982-D1031 PolarHBondContact NH2-OD2 3.05Å; V1027-D1031 WeakPolarHBondContact CG1-OD2 3.4Å; V1027-D1031 PolarHBondContact O-N 3.01Å; R1028-D1031 PolarHBondContact O-N 3.1Å; D1031-L1033 VanDerWaalsContact C-N 3.27Å; D1031-L1033 PolarHBondContact O-N 3.04Å; D1031-T1034 CarbonylContact O-C 3.51Å; D1031-T1034 PolarHBondContact O-N 2.9Å; D1031-T1034 PolarHBondContact O-OG1 3.38Å |
| 1032 | S | 34.7 | Very low | 33.9 | Very low | 92 Ų | 92 | 90.2 Ų | 90.2 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.7 | -31.6 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 113.2 | R1028 M1029 T1034 | R1028-S1032 WeakPolarHBondContact O-CB 3.14Å; R1028-S1032 PolarHBondContact O-N 3.38Å; R1028-S1032 PolarHBondContact O-OG 3.39Å; M1029-S1032 PolarHBondContact O-N 3.48Å; S1032-T1034 VanDerWaalsContact C-N 3.26Å; S1032-T1034 PolarHBondContact O-N 3.46Å |
| 1033 | L | 31.9 | Very low | 32.8 | Very low | 89 Ų | 89 | 96.2 Ų | 96.2 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1.4 | 173.6 | -69.3 | 168 | 0 | 0 | 0 | 113.6 | M1029 D1031 A1132 | M1029-L1033 WeakPolarHBondContact O-CB 3.43Å; M1029-L1033 VanDerWaalsContact O-CG 3.31Å; M1029-L1033 WeakPolarHBondContact O-CG 3.22Å; M1029-L1033 PolarHBondContact O-N 2.59Å; D1031-L1033 VanDerWaalsContact C-N 3.27Å; D1031-L1033 PolarHBondContact O-N 3.04Å; L1033-A1132 HydrophobicContact CD2-CB 4.38Å |
| 1034 | T | 28.1 | Very low | 31.5 | Very low | 86 Ų | 86 | 101.1 Ų | 101.1 | 53% | 0.528 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -132.1 | 57.4 | -178.9 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | A1030 D1031 S1032 T1036 | A1030-T1034 PolarHBondContact O-N 3.24Å; A1030-T1034 PolarHBondContact O-OG1 2.99Å; D1031-T1034 CarbonylContact O-C 3.51Å; D1031-T1034 PolarHBondContact O-N 2.9Å; D1031-T1034 PolarHBondContact O-OG1 3.38Å; S1032-T1034 VanDerWaalsContact C-N 3.26Å; S1032-T1034 PolarHBondContact O-N 3.46Å; T1034-T1036 PolarHBondContact O-N 3.43Å |
| 1035 | L | 28 | Very low | 30.5 | Very low | 165 Ų | 165 | 100.2 Ų | 100.2 | 86% | 0.864 | 60% | 0.595 | S | S | * | * | trans | -55.7 | 130.9 | 177.5 | -80 | 170.2 | 0 | 0 | 0 | 113 | ||||
| 1036 | T | 25.5 | Very low | 29.6 | Very low | 104 Ų | 104 | 100 Ų | 100 | 64% | 0.638 | 61% | 0.612 | S | S | * | * | trans | -87.5 | 175.2 | -168.6 | 70.8 | 0 | 0 | 0 | 0 | 113.4 | T1034 | T1034-T1036 PolarHBondContact O-N 3.43Š| ||
| 1037 | P | 25.8 | Very low | 28.7 | Very low | 127 Ų | 127 | 106.3 Ų | 106.3 | 83% | 0.825 | 64% | 0.644 | S | S | * | * | -125.1 | 119.8 | 125.8 | 34.3 | -30 | 0 | 0 | 0 | 113.1 | |||||
| 1038 | T | 24.7 | Very low | 27.8 | Very low | 124 Ų | 124 | 110.7 Ų | 110.7 | 76% | 0.761 | 67% | 0.667 | S | S | * | * | trans | -91.2 | 106.8 | 167.6 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1039 | S | 27.9 | Very low | 27.1 | Very low | 114 Ų | 114 | 111.2 Ų | 111.2 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | trans | -158.9 | 129.6 | 155.8 | 46.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1040 | T | 23.8 | Very low | 26.6 | Very low | 146 Ų | 146 | 117.2 Ų | 117.2 | 90% | 0.896 | 71% | 0.706 | S | S | * | * | trans | -46.5 | 134.8 | 173.4 | 48.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 1041 | G | 23.2 | Very low | 26 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 170.5 | 91.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1042 | M | 24.5 | Very low | 25.5 | Very low | 173 Ų | 173 | 126.5 Ų | 126.5 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | trans | 57.8 | 119.5 | 149.4 | -52.1 | -161.1 | 81.7 | 0 | 0 | 122.3 | ||||
| 1043 | L | 24.2 | Very low | 25 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | 66.7 | 85.7 | 134.8 | -59.5 | -178.7 | 0 | 0 | 0 | 121.6 | ||||
| 1044 | S | 22.5 | Very low | 24.7 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | 52.3 | 94.2 | 116.2 | 63.1 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1045 | S | 23.4 | Very low | 24.6 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | -179.8 | 160.1 | 118.7 | 47.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1046 | G | 25.8 | Very low | 24.4 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | 101.2 | 19.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | N1048 | G1046-N1048 PolarHBondContact O-N 3.25Š| ||
| 1047 | I | 23.2 | Very low | 24.3 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | -77.6 | 99.1 | 166.8 | -44.9 | 171.5 | 0 | 0 | 0 | 110 | ||||
| 1048 | N | 24.3 | Very low | 24.2 | Very low | 122 Ų | 122 | 129 Ų | 129 | 65% | 0.652 | 73% | 0.729 | S | S | * | * | trans | -175.8 | 154.8 | 149.6 | -89.5 | -15.6 | 0 | 0 | 0 | 109.4 | R934 G1046 | R934-N1048 PolarHBondContact NH1-OD1 2.9Å; R934-N1048 VanDerWaalsContact NH1-OD1 3.11Å; G1046-N1048 PolarHBondContact O-N 3.25Å | ||
| 1049 | K | 24.7 | Very low | 24.3 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | trans | 78.9 | 73.5 | -176.3 | -54.9 | 172.2 | 179.8 | 170.1 | 0 | 116.7 | ||||
| 1050 | L | 23.5 | Very low | 24.2 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | trans | -102.9 | 69.3 | 143.3 | -74 | 175.1 | 0 | 0 | 0 | 108.9 | ||||
| 1051 | R | 23.1 | Very low | 24.3 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 64% | 0.638 | 72% | 0.721 | S | S | * | * | trans | -76.3 | 120.8 | 168.2 | -112.4 | -173.6 | 179.9 | 139.8 | 3.9 | 107.8 | E898 N1053 | E898-R1051 VanDerWaalsContact CD-NH2 3.27Å; E898-R1051 IonicContact OE1-CZ 2.73Å; E898-R1051 IonicContact OE1-NE 3.38Å; E898-R1051 IonicContact OE1-NH2 3.34Å; E898-R1051 PolarHBondContact OE1-NH2 3.35Å; E898-R1051 IonicContact OE2-NH2 3.26Å; E898-R1051 PolarHBondContact OE2-NH2 3.37Å; R1051-N1053 PolarHBondContact O-N 3.27Å | ||
| 1052 | L | 23.2 | Very low | 24.4 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 67% | 0.665 | 72% | 0.718 | S | S | * | * | trans | -70.8 | 79 | 169.3 | -80.8 | 164.2 | 0 | 0 | 0 | 109.1 | L931 S1054 | L931-L1052 HydrophobicContact CD2-CD1 4.07Å; L1052-S1054 VanDerWaalsContact C-N 3.32Å; L1052-S1054 PolarHBondContact O-N 2.75Å | ||
| 1053 | N | 24.2 | Very low | 24.4 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | trans | -83.8 | 77.5 | -175.7 | -134.4 | 97.4 | 0 | 0 | 0 | 110.2 | R1051 N1055 | R1051-N1053 PolarHBondContact O-N 3.27Å; N1053-N1055 VanDerWaalsContact C-N 3.3Å; N1053-N1055 PolarHBondContact ND2-OD1 3.39Å; N1053-N1055 VanDerWaalsContact ND2-OD1 3.1Å; N1053-N1055 PolarHBondContact O-N 2.86Å | ||
| 1054 | S | 25.2 | Very low | 24.5 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | trans | -62.2 | 86.7 | 174.1 | -64.8 | 0 | 0 | 0 | 0 | 111 | L1052 R1056 | L1052-S1054 VanDerWaalsContact C-N 3.32Å; L1052-S1054 PolarHBondContact O-N 2.75Å; S1054-R1056 PolarHBondContact O-N 3.03Å | ||
| 1055 | N | 25.2 | Very low | 24.6 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 47% | 0.465 | 71% | 0.707 | S | S | . | * | trans | -74.3 | 69.2 | 177.9 | -63.8 | -35 | 0 | 0 | 0 | 111.2 | N1053 N1057 | N1053-N1055 VanDerWaalsContact C-N 3.3Å; N1053-N1055 PolarHBondContact ND2-OD1 3.39Å; N1053-N1055 VanDerWaalsContact ND2-OD1 3.1Å; N1053-N1055 PolarHBondContact O-N 2.86Å; N1055-N1057 PolarHBondContact O-N 2.98Å | ||
| 1056 | R | 23.5 | Very low | 24.7 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 61% | 0.611 | 70% | 0.703 | S | S | * | * | trans | -78.5 | 98.3 | 152.5 | -87 | -175.2 | 168.6 | -162.5 | -9.7 | 107.4 | S1054 T1190 | S1054-R1056 PolarHBondContact O-N 3.03Å; R1056-T1190 VanDerWaalsContact CZ-CG2 3.43Å; R1056-T1190 VanDerWaalsContact NH1-CG2 3.28Å; R1056-T1190 PolarHBondContact NH2-OG1 3.26Å | ||
| 1057 | N | 23.7 | Very low | 24.7 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | trans | 175.9 | 101.6 | 152.9 | -92.8 | -17.4 | 0 | 0 | 0 | 109.3 | N1055 | N1055-N1057 PolarHBondContact O-N 2.98Š| ||
| 1058 | N | 24.4 | Very low | 24.8 | Very low | 100 Ų | 100 | 145 Ų | 145 | 54% | 0.535 | 71% | 0.71 | S | S | . | * | trans | 170.1 | 110.6 | 147.4 | -92.7 | 4.4 | 0 | 0 | 0 | 107.5 | ||||
| 1059 | Y | 26.6 | Very low | 25.2 | Very low | 220 Ų | 220 | 146.7 Ų | 146.7 | 86% | 0.863 | 72% | 0.719 | S | S | * | * | -156.4 | 134.3 | 120.9 | -97.2 | -64.8 | 0 | 0 | 0 | 108.8 | |||||
| 1060 | E | 26.3 | Very low | 25.6 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 73% | 0.729 | 71% | 0.707 | S | S | * | * | trans | -76.6 | 176.9 | 172.6 | -56.3 | 130.6 | 132.5 | 0 | 0 | 109 | ||||
| 1061 | E | 26.2 | Very low | 25.8 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | cis | -164.5 | -171.2 | 11.9 | -150.4 | 176 | -145.2 | 0 | 0 | 109 | ||||
| 1062 | Q | 25.4 | Very low | 26.1 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | trans | 71 | 130.3 | 153.6 | -73.2 | 165.2 | 52 | 0 | 0 | 117.7 | ||||
| 1063 | L | 24.7 | Very low | 26.4 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 60% | 0.597 | 72% | 0.72 | S | S | * | * | cis | -149.7 | 138.3 | 5.7 | -81 | 128.5 | 0 | 0 | 0 | 113.6 | I1276 | L1063-I1276 HydrophobicContact CD2-CG1 4.01Š| ||
| 1064 | I | 24.9 | Very low | 26.8 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | trans | 68.6 | 141.6 | 137.4 | -62.2 | 175.8 | 0 | 0 | 0 | 121.3 | I1276 | I1064-I1276 HydrophobicContact CD1-CD1 3.42Å; I1064-I1276 VanDerWaalsContact CD1-CD1 3.42Å; I1064-I1276 HydrophobicContact CD1-CG1 3.91Å | ||
| 1065 | E | 25.1 | Very low | 26.7 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | trans | -86.2 | 165.5 | -175.7 | -54.5 | 162 | 144 | 0 | 0 | 114.2 | ||||
| 1066 | I | 26 | Very low | 26.6 | Very low | 159 Ų | 159 | 151.8 Ų | 151.8 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | trans | -167.3 | 129.5 | 132.5 | -96.9 | 150.2 | 0 | 0 | 0 | 108.9 | ||||
| 1067 | D | 25.2 | Very low | 26.6 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | -69.6 | 150.6 | 178.5 | -54.3 | -70.2 | 0 | 0 | 0 | 113.5 | ||||
| 1068 | N | 26 | Very low | 26.7 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | -167.1 | 112.1 | 151.2 | -87.9 | -72.2 | 0 | 0 | 0 | 111.1 | ||||
| 1069 | D | 31.7 | Very low | 26.7 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -69.2 | 154.9 | 158.7 | -72.1 | -48.2 | 0 | 0 | 0 | 110.5 | ||||
| 1070 | P | 33.9 | Very low | 26.6 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 59% | 0.591 | 76% | 0.76 | S | S | * | * | -151.4 | 170.3 | 89.8 | 40.5 | -22.6 | 0 | 0 | 0 | 116.9 | |||||
| 1071 | D | 27.5 | Very low | 26.6 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -73.2 | -178.8 | 169.2 | -61.2 | -79.7 | 0 | 0 | 0 | 115.1 | ||||
| 1072 | D | 30.1 | Very low | 26.6 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | 95.3 | 124.8 | 163.9 | -68.8 | -30.8 | 0 | 0 | 0 | 121.1 | ||||
| 1073 | E | 28.4 | Very low | 26.9 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 72.9 | 149.7 | 160.9 | -69 | -68.9 | 89.2 | 0 | 0 | 121.1 | ||||
| 1074 | P | 32.4 | Very low | 27.1 | Very low | 85 Ų | 85 | 145.3 Ų | 145.3 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | trans | -131.2 | -179 | -139.9 | 36.2 | -15.4 | 0 | 0 | 0 | 116.9 | ||||
| 1075 | H | 23.8 | Very low | 28.1 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | 63 | 94.9 | 167.8 | -57.5 | -64.3 | 0 | 0 | 0 | 118.5 | ||||
| 1076 | R | 23.6 | Very low | 28.9 | Very low | 239 Ų | 239 | 136.3 Ų | 136.3 | 90% | 0.902 | 73% | 0.731 | S | S | * | * | -167.9 | 149.4 | 116 | -108.3 | 168 | -177.9 | -169.8 | 0.2 | 114.5 | T1078 | R1076-T1078 PolarHBondContact O-N 2.93Š| |||
| 1077 | N | 22.9 | Very low | 30 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 86% | 0.856 | 72% | 0.717 | S | S | * | * | trans | -58 | 119.1 | -171.8 | -49.8 | 1.6 | 0 | 0 | 0 | 114.2 | ||||
| 1078 | T | 25.1 | Very low | 31.4 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 85% | 0.847 | 69% | 0.687 | S | S | * | * | trans | -138.6 | 118.6 | 142.8 | 23 | 0 | 0 | 0 | 0 | 107.3 | R1076 A1080 | R1076-T1078 PolarHBondContact O-N 2.93Å; T1078-A1080 PolarHBondContact O-N 3.36Å | ||
| 1079 | T | 25.2 | Very low | 33.2 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | trans | -71.8 | 119.6 | -179.1 | 42.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1080 | A | 24 | Very low | 34.7 | Very low | 84 Ų | 84 | 115.2 Ų | 115.2 | 69% | 0.694 | 64% | 0.637 | S | S | * | * | trans | -61.4 | 136.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | T1078 S1082 | T1078-A1080 PolarHBondContact O-N 3.36Å; A1080-S1082 PolarHBondContact O-N 3.48Å | ||
| 1081 | E | 26.5 | Very low | 36.2 | Very low | 195 Ų | 195 | 111.1 Ų | 111.1 | 91% | 0.911 | 61% | 0.61 | S | S | * | * | trans | -77.4 | 68.8 | -176.8 | -66.4 | -179.2 | 141 | 0 | 0 | 111 | ||||
| 1082 | S | 27.2 | Very low | 38.2 | Very low | 85 Ų | 85 | 104 Ų | 104 | 59% | 0.594 | 57% | 0.572 | S | S | * | * | trans | -50.3 | 144.5 | 155.6 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | A1080 N1084 | A1080-S1082 PolarHBondContact O-N 3.48Å; S1082-N1084 PolarHBondContact O-N 2.9Å | ||
| 1083 | L | 29.9 | Very low | 40.1 | Very low | 135 Ų | 135 | 103.4 Ų | 103.4 | 71% | 0.707 | 56% | 0.558 | S | S | * | * | trans | -67.6 | 81.4 | 171.2 | -74.5 | 168.9 | 0 | 0 | 0 | 109.6 | L1085 | L1083-L1085 VanDerWaalsContact C-N 3.34Å; L1083-L1085 HydrophobicContact CB-CD1 4.11Å; L1083-L1085 WeakPolarHBondContact O-CD1 3.28Å; L1083-L1085 PolarHBondContact O-N 2.89Å | ||
| 1084 | N | 30 | Very low | 41.7 | Very low | 129 Ų | 129 | 101 Ų | 101 | 69% | 0.69 | 54% | 0.542 | S | S | * | . | trans | -64.2 | 96.3 | 169.8 | -73 | -23.2 | 0 | 0 | 0 | 107.6 | S1082 V1086 | S1082-N1084 PolarHBondContact O-N 2.9Å; N1084-V1086 HydrophobicContact CB-CG2 4.07Å; N1084-V1086 WeakPolarHBondContact O-CG2 3.41Å; N1084-V1086 PolarHBondContact O-N 3.33Å | ||
| 1085 | L | 45.5 | Very low | 43.4 | Very low | 26 Ų | 26 | 97 Ų | 97 | 14% | 0.136 | 52% | 0.516 | C | S | . | . | trans | -70.6 | 78.2 | 165.7 | -90.4 | 59.6 | 0 | 0 | 0 | 107.2 | R883 L886 L921 L1083 | R883-L1085 PolarHBondContact NH1-O 2.86Å; L886-L1085 HydrophobicContact CB-CD2 3.9Å; L886-L1085 HydrophobicContact CD1-CD2 4.43Å; L921-L1085 HydrophobicContact CD2-CB 4.32Å; L921-L1085 HydrophobicContact CD2-CD2 4.12Å; L921-L1085 HydrophobicContact CD2-CG 4.4Å; L1083-L1085 VanDerWaalsContact C-N 3.34Å; L1083-L1085 HydrophobicContact CB-CD1 4.11Å; L1083-L1085 WeakPolarHBondContact O-CD1 3.28Å; L1083-L1085 PolarHBondContact O-N 2.89Å | ||
| 1086 | V | 41.3 | Very low | 45.7 | Very low | 86 Ų | 86 | 93.4 Ų | 93.4 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | trans | -57.4 | 150.4 | -175.2 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | R883 N1084 | R883-V1086 VanDerWaalsContact NH1-C 3.27Å; R883-V1086 PolarHBondContact NH1-O 2.89Å; N1084-V1086 HydrophobicContact CB-CG2 4.07Å; N1084-V1086 WeakPolarHBondContact O-CG2 3.41Å; N1084-V1086 PolarHBondContact O-N 3.33Å | ||
| 1087 | S | 49.2 | Very low | 48 | Very low | 73 Ų | 73 | 84.7 Ų | 84.7 | 51% | 0.51 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -40.2 | 145.6 | 167.2 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | S1089 | S1087-S1089 PolarHBondContact O-N 2.88Š|
| 1088 | P | 55 | Low | 50 | Low | 29 Ų | 29 | 78.5 Ų | 78.5 | 19% | 0.188 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -41 | 131.1 | -154.5 | 14.2 | -31.1 | 0 | 0 | 0 | 113.7 | E917 C1092 R1093 | E917-P1088 HydrophobicContact CG-CB 4.18Å; P1088-C1092 HydrophobicContact CB-CB 4.39Å; P1088-R1093 PolarHBondContact O-NE 3.35Å |
| 1089 | S | 63.2 | Low | 52.2 | Low | 17 Ų | 17 | 72.3 Ų | 72.3 | 12% | 0.119 | 40% | 0.403 | C | S | . | . | trans | -53.1 | 151.7 | -159.7 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | D920 S1087 L1091 C1092 R1093 | D920-S1089 VanDerWaalsContact CG-OG 3.27Å; D920-S1089 WeakPolarHBondContact OD1-CB 3.41Å; D920-S1089 PolarHBondContact OD1-OG 3.13Å; D920-S1089 WeakPolarHBondContact OD2-CB 3.4Å; D920-S1089 PolarHBondContact OD2-N 3.29Å; D920-S1089 PolarHBondContact OD2-OG 2.89Å; D920-S1089 VanDerWaalsContact OD2-OG 3.12Å; S1087-S1089 PolarHBondContact O-N 2.88Å; S1089-L1091 CarbonylContact O-C 3.59Å; S1089-L1091 PolarHBondContact O-N 3.33Å; S1089-L1091 VanDerWaalsContact O-N 3.1Å; S1089-C1092 CarbonylContact O-C 3.46Å; S1089-C1092 WeakPolarHBondContact O-CA 3.38Å; S1089-C1092 WeakPolarHBondContact O-CB 3.26Å; S1089-C1092 PolarHBondContact O-N 2.93Å; S1089-C1092 VanDerWaalsContact OG-CB 3.28Å; S1089-C1092 WeakPolarHBondContact OG-CB 3.46Å; S1089-C1092 PolarHBondContact OG-N 3.37Å; S1089-R1093 PolarHBondContact O-N 3.29Å | ||
| 1090 | A | 63.9 | Low | 54.6 | Low | 60 Ų | 60 | 70.7 Ų | 70.7 | 50% | 0.496 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -53.4 | -35.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1094 | A1090-R1094 VanDerWaalsContact O-CB 3.28Å; A1090-R1094 WeakPolarHBondContact O-CB 3.45Å; A1090-R1094 VanDerWaalsContact O-CD 3.26Å; A1090-R1094 WeakPolarHBondContact O-CD 3.43Å; A1090-R1094 WeakPolarHBondContact O-CG 3.5Å; A1090-R1094 PolarHBondContact O-N 2.75Å |
| 1091 | L | 65.8 | Low | 56.8 | Low | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64 | -49.2 | 170.4 | -179.3 | 145.2 | 0 | 0 | 0 | 112.6 | L971 C974 S1089 R1093 R1094 L1095 F1182 | L971-L1091 HydrophobicContact CD1-CD2 3.45Å; L971-L1091 VanDerWaalsContact CD1-CD2 3.45Å; C974-L1091 HydrophobicContact CB-CD1 4.06Å; C974-L1091 HydrophobicContact CB-CD2 4.36Å; S1089-L1091 CarbonylContact O-C 3.59Å; S1089-L1091 PolarHBondContact O-N 3.33Å; S1089-L1091 VanDerWaalsContact O-N 3.1Å; L1091-R1093 VanDerWaalsContact C-N 3.34Å; L1091-R1093 PolarHBondContact O-N 3.47Å; L1091-R1094 PolarHBondContact O-N 2.74Å; L1091-L1095 HydrophobicContact CD2-CD1 3.58Å; L1091-L1095 HydrophobicContact CD2-CG 4.31Å; L1091-L1095 HydrophobicContact CG-CD1 4.13Å; L1091-L1095 HydrophobicContact CG-CG 4.39Å; L1091-L1095 WeakPolarHBondContact O-CB 3.49Å; L1091-L1095 WeakPolarHBondContact O-CG 3.3Å; L1091-L1095 PolarHBondContact O-N 2.75Å; L1091-F1182 HydrophobicContact CB-CD2 4.35Å; L1091-F1182 HydrophobicContact CB-CE2 3.82Å; L1091-F1182 HydrophobicContact CB-CZ 4.27Å; L1091-F1182 HydrophobicContact CD1-CB 4.35Å; L1091-F1182 HydrophobicContact CD1-CD1 4.23Å; L1091-F1182 HydrophobicContact CD1-CD2 3.56Å; L1091-F1182 HydrophobicContact CD1-CE1 4.41Å; L1091-F1182 HydrophobicContact CD1-CE2 3.78Å; L1091-F1182 HydrophobicContact CD1-CG 3.81Å; L1091-F1182 HydrophobicContact CD1-CZ 4.2Å; L1091-F1182 HydrophobicContact CG-CE2 4.44Å |
| 1092 | C | 70.4 | Confident | 58.6 | Low | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56 | -45.8 | 174.9 | -178 | 0 | 0 | 0 | 0 | 111.9 | D920 P1088 S1089 K1096 | D920-C1092 HydrophobicContact CB-CB 4.34Å; P1088-C1092 HydrophobicContact CB-CB 4.39Å; S1089-C1092 CarbonylContact O-C 3.46Å; S1089-C1092 WeakPolarHBondContact O-CA 3.38Å; S1089-C1092 WeakPolarHBondContact O-CB 3.26Å; S1089-C1092 PolarHBondContact O-N 2.93Å; S1089-C1092 VanDerWaalsContact OG-CB 3.28Å; S1089-C1092 WeakPolarHBondContact OG-CB 3.46Å; S1089-C1092 PolarHBondContact OG-N 3.37Å; C1092-K1096 WeakPolarHBondContact O-CB 3.33Å; C1092-K1096 PolarHBondContact O-N 2.99Å |
| 1093 | R | 68.3 | Low | 60.8 | Low | 141 Ų | 141 | 56 Ų | 56 | 53% | 0.532 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 178 | -76.7 | -174.1 | -80 | 143.6 | -7.1 | 112.6 | P1088 S1089 L1091 K1096 S1097 | P1088-R1093 PolarHBondContact O-NE 3.35Å; S1089-R1093 PolarHBondContact O-N 3.29Å; L1091-R1093 VanDerWaalsContact C-N 3.34Å; L1091-R1093 PolarHBondContact O-N 3.47Å; R1093-K1096 PolarHBondContact O-N 3.26Å; R1093-S1097 PolarHBondContact O-N 2.89Å |
| 1094 | R | 62.6 | Low | 62.9 | Low | 127 Ų | 127 | 56.1 Ų | 56.1 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -50.6 | 178.3 | -74.8 | 162.5 | 59.6 | 145.1 | -1.3 | 111.6 | A1090 L1091 K1096 S1097 T1098 Q1174 E1178 | A1090-R1094 VanDerWaalsContact O-CB 3.28Å; A1090-R1094 WeakPolarHBondContact O-CB 3.45Å; A1090-R1094 VanDerWaalsContact O-CD 3.26Å; A1090-R1094 WeakPolarHBondContact O-CD 3.43Å; A1090-R1094 WeakPolarHBondContact O-CG 3.5Å; A1090-R1094 PolarHBondContact O-N 2.75Å; L1091-R1094 PolarHBondContact O-N 2.74Å; R1094-K1096 PolarHBondContact O-N 2.71Å; R1094-S1097 PolarHBondContact O-N 3.37Å; R1094-T1098 PolarHBondContact O-N 2.78Å; R1094-T1098 PolarHBondContact O-OG1 3.02Å; R1094-T1098 VanDerWaalsContact O-OG1 3.05Å; R1094-Q1174 VanDerWaalsContact NH2-NE2 3.17Å; R1094-E1178 IonicContact CZ-OE1 3.19Å; R1094-E1178 IonicContact NE-OE1 3.14Å; R1094-E1178 PolarHBondContact NE-OE1 3.28Å; R1094-E1178 IonicContact NH2-OE1 2.76Å; R1094-E1178 PolarHBondContact NH2-OE1 3.39Å |
| 1095 | L | 68.6 | Low | 64.6 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.2 | -46.1 | 174.3 | -71.5 | -178.4 | 0 | 0 | 0 | 111.9 | M916 C970 L971 L1091 S1097 T1098 I1099 | M916-L1095 HydrophobicContact CE-CB 3.63Å; M916-L1095 HydrophobicContact CE-CD1 4.36Å; C970-L1095 HydrophobicContact CB-CD1 4.14Å; C970-L1095 HydrophobicContact CB-CD2 4.21Å; L971-L1095 HydrophobicContact CB-CD1 4.34Å; L1091-L1095 HydrophobicContact CD2-CD1 3.58Å; L1091-L1095 HydrophobicContact CD2-CG 4.31Å; L1091-L1095 HydrophobicContact CG-CD1 4.13Å; L1091-L1095 HydrophobicContact CG-CG 4.39Å; L1091-L1095 WeakPolarHBondContact O-CB 3.49Å; L1091-L1095 WeakPolarHBondContact O-CG 3.3Å; L1091-L1095 PolarHBondContact O-N 2.75Å; L1095-S1097 VanDerWaalsContact C-N 3.31Å; L1095-S1097 PolarHBondContact O-N 3.28Å; L1095-T1098 PolarHBondContact O-N 3.22Å; L1095-I1099 HydrophobicContact CB-CD1 4.25Å; L1095-I1099 WeakPolarHBondContact O-CB 3.38Å; L1095-I1099 WeakPolarHBondContact O-CD1 3.19Å; L1095-I1099 WeakPolarHBondContact O-CG1 3.44Å; L1095-I1099 PolarHBondContact O-N 2.58Å |
| 1096 | K | 72.8 | Confident | 65.5 | Low | 103 Ų | 103 | 53.8 Ų | 53.8 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.7 | -41.7 | 179 | -166.2 | 174.1 | -171.5 | -179.1 | 0 | 111.6 | M916 E917 C1092 R1093 R1094 Q1100 | M916-K1096 HydrophobicContact CE-CB 4.36Å; M916-K1096 HydrophobicContact SD-CB 3.91Å; M916-K1096 HydrophobicContact SD-CD 4.35Å; M916-K1096 HydrophobicContact SD-CG 4.2Å; E917-K1096 IonicContact OE1-NZ 3.6Å; E917-K1096 PolarHBondContact OE1-NZ 2.98Å; C1092-K1096 WeakPolarHBondContact O-CB 3.33Å; C1092-K1096 PolarHBondContact O-N 2.99Å; R1093-K1096 PolarHBondContact O-N 3.26Å; R1094-K1096 PolarHBondContact O-N 2.71Å; K1096-Q1100 VanDerWaalsContact O-CB 3.24Å; K1096-Q1100 WeakPolarHBondContact O-CB 3.46Å; K1096-Q1100 PolarHBondContact O-N 2.97Å |
| 1097 | S | 70.3 | Confident | 66.7 | Low | 55 Ų | 55 | 49.8 Ų | 49.8 | 39% | 0.385 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.2 | -53 | 175.1 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | R1093 R1094 L1095 I1099 Q1100 A1101 | R1093-S1097 PolarHBondContact O-N 2.89Å; R1094-S1097 PolarHBondContact O-N 3.37Å; L1095-S1097 VanDerWaalsContact C-N 3.31Å; L1095-S1097 PolarHBondContact O-N 3.28Å; S1097-I1099 VanDerWaalsContact C-N 3.31Å; S1097-I1099 PolarHBondContact O-N 2.88Å; S1097-Q1100 PolarHBondContact O-N 2.93Å; S1097-A1101 PolarHBondContact O-N 2.97Å |
| 1098 | T | 64.8 | Low | 67.8 | Low | 31 Ų | 31 | 49.2 Ų | 49.2 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.7 | -36.9 | -178.8 | -54.9 | 0 | 0 | 0 | 0 | 112.7 | R1094 L1095 T1102 A1171 | R1094-T1098 PolarHBondContact O-N 2.78Å; R1094-T1098 PolarHBondContact O-OG1 3.02Å; R1094-T1098 VanDerWaalsContact O-OG1 3.05Å; L1095-T1098 PolarHBondContact O-N 3.22Å; T1098-T1102 PolarHBondContact O-N 2.85Å; T1098-T1102 VanDerWaalsContact O-N 3.11Å; T1098-T1102 PolarHBondContact O-OG1 3.08Å; T1098-A1171 HydrophobicContact CG2-CB 3.71Å |
| 1099 | I | 71.7 | Confident | 69 | Low | 8 Ų | 8 | 53.2 Ų | 53.2 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76.5 | -35.6 | 178.4 | -66.3 | 168 | 0 | 0 | 0 | 110.9 | P966 D967 C970 L1095 S1097 T1102 L1103 L1112 | P966-I1099 HydrophobicContact CB-CG2 4Å; P966-I1099 HydrophobicContact CG-CG2 3.78Å; D967-I1099 HydrophobicContact CB-CD1 4.49Å; C970-I1099 HydrophobicContact CB-CD1 3.71Å; L1095-I1099 HydrophobicContact CB-CD1 4.25Å; L1095-I1099 WeakPolarHBondContact O-CB 3.38Å; L1095-I1099 WeakPolarHBondContact O-CD1 3.19Å; L1095-I1099 WeakPolarHBondContact O-CG1 3.44Å; L1095-I1099 PolarHBondContact O-N 2.58Å; S1097-I1099 VanDerWaalsContact C-N 3.31Å; S1097-I1099 PolarHBondContact O-N 2.88Å; I1099-T1102 WeakPolarHBondContact CA-OG1 3.25Å; I1099-T1102 PolarHBondContact O-OG1 2.83Å; I1099-L1103 HydrophobicContact CG2-CD1 4.07Å; I1099-L1103 WeakPolarHBondContact O-CB 3.15Å; I1099-L1103 WeakPolarHBondContact O-CG 3.34Å; I1099-L1103 PolarHBondContact O-N 2.82Å; I1099-L1103 VanDerWaalsContact O-N 3.12Å; I1099-L1112 HydrophobicContact CG2-CD2 4.06Å |
| 1100 | Q | 76.3 | Confident | 69.9 | Low | 94 Ų | 94 | 53.8 Ų | 53.8 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 171.6 | -176.2 | 63.2 | 19.2 | 0 | 0 | 110.9 | K1096 S1097 T1102 L1103 E1104 | K1096-Q1100 VanDerWaalsContact O-CB 3.24Å; K1096-Q1100 WeakPolarHBondContact O-CB 3.46Å; K1096-Q1100 PolarHBondContact O-N 2.97Å; S1097-Q1100 PolarHBondContact O-N 2.93Å; Q1100-T1102 PolarHBondContact O-N 3.15Å; Q1100-L1103 PolarHBondContact O-N 3.04Å; Q1100-L1103 VanDerWaalsContact O-N 3.13Å; Q1100-E1104 WeakPolarHBondContact CG-OE1 3.45Å; Q1100-E1104 PolarHBondContact NE2-OE1 3.47Å; Q1100-E1104 WeakPolarHBondContact O-CG 3.27Å; Q1100-E1104 PolarHBondContact O-N 3.14Å |
| 1101 | A | 69.6 | Low | 70.3 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 19% | 0.19 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1097 E1104 T1105 F1225 | S1097-A1101 PolarHBondContact O-N 2.97Å; A1101-E1104 PolarHBondContact O-N 3.01Å; A1101-T1105 PolarHBondContact O-N 2.68Å; A1101-T1105 VanDerWaalsContact O-N 3.15Å; A1101-F1225 HydrophobicContact CB-CZ 4.39Å |
| 1102 | T | 64.5 | Low | 70.7 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.3 | -25.2 | 176 | 40.2 | 0 | 0 | 0 | 0 | 114.4 | T1098 I1099 Q1100 T1105 V1107 V1167 A1171 | T1098-T1102 PolarHBondContact O-N 2.85Å; T1098-T1102 VanDerWaalsContact O-N 3.11Å; T1098-T1102 PolarHBondContact O-OG1 3.08Å; I1099-T1102 WeakPolarHBondContact CA-OG1 3.25Å; I1099-T1102 PolarHBondContact O-OG1 2.83Å; Q1100-T1102 PolarHBondContact O-N 3.15Å; T1102-T1105 PolarHBondContact O-OG1 2.9Å; T1102-V1107 WeakPolarHBondContact O-CB 3.42Å; T1102-V1167 HydrophobicContact CG2-CG1 4.18Å; T1102-A1171 HydrophobicContact CG2-CB 3.27Å |
| 1103 | L | 72.7 | Confident | 71.2 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -77.6 | -29.5 | 170.8 | -66.1 | 174.3 | 0 | 0 | 0 | 111.4 | P966 I1099 Q1100 G1106 V1107 R1109 L1112 | P966-L1103 HydrophobicContact CG-CD1 4.17Å; I1099-L1103 HydrophobicContact CG2-CD1 4.07Å; I1099-L1103 WeakPolarHBondContact O-CB 3.15Å; I1099-L1103 WeakPolarHBondContact O-CG 3.34Å; I1099-L1103 PolarHBondContact O-N 2.82Å; I1099-L1103 VanDerWaalsContact O-N 3.12Å; Q1100-L1103 PolarHBondContact O-N 3.04Å; Q1100-L1103 VanDerWaalsContact O-N 3.13Å; L1103-G1106 WeakPolarHBondContact O-CA 3.32Å; L1103-G1106 PolarHBondContact O-N 3.05Å; L1103-G1106 VanDerWaalsContact O-N 3.08Å; L1103-V1107 WeakPolarHBondContact CD2-O 3.34Å; L1103-R1109 HydrophobicContact CD1-CG 4.15Å; L1103-R1109 HydrophobicContact CD2-CB 4.34Å; L1103-R1109 HydrophobicContact CD2-CG 3.53Å; L1103-L1112 HydrophobicContact CD2-CD2 4.18Å; L1103-L1112 HydrophobicContact CG-CD2 4.39Å |
| 1104 | E | 74.5 | Confident | 71.5 | Confident | 137 Ų | 137 | 44.5 Ų | 44.5 | 64% | 0.64 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72.9 | -26.3 | 175.7 | -74.6 | 174.2 | 179.1 | 0 | 0 | 113.6 | Q1100 A1101 G1106 | Q1100-E1104 WeakPolarHBondContact CG-OE1 3.45Å; Q1100-E1104 PolarHBondContact NE2-OE1 3.47Å; Q1100-E1104 WeakPolarHBondContact O-CG 3.27Å; Q1100-E1104 PolarHBondContact O-N 3.14Å; A1101-E1104 PolarHBondContact O-N 3.01Å; E1104-G1106 PolarHBondContact O-N 2.87Å |
| 1105 | T | 65.1 | Low | 71.7 | Confident | 64 Ų | 64 | 38.9 Ų | 38.9 | 39% | 0.393 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -5.7 | 165.7 | 64 | 0 | 0 | 0 | 0 | 113.5 | A1101 T1102 V1167 | A1101-T1105 PolarHBondContact O-N 2.68Å; A1101-T1105 VanDerWaalsContact O-N 3.15Å; T1102-T1105 PolarHBondContact O-OG1 2.9Å; T1105-V1167 HydrophobicContact CG2-CB 4.12Å; T1105-V1167 HydrophobicContact CG2-CG1 3.9Å; T1105-V1167 HydrophobicContact CG2-CG2 4.13Å |
| 1106 | G | 65.7 | Low | 71.9 | Confident | 43 Ų | 43 | 39.4 Ų | 39.4 | 44% | 0.443 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.5 | 8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | F1011 L1103 E1104 P1108 | F1011-G1106 VanDerWaalsContact CE2-O 3.25Å; F1011-G1106 WeakPolarHBondContact CE2-O 3.23Å; L1103-G1106 WeakPolarHBondContact O-CA 3.32Å; L1103-G1106 PolarHBondContact O-N 3.05Å; L1103-G1106 VanDerWaalsContact O-N 3.08Å; E1104-G1106 PolarHBondContact O-N 2.87Å; G1106-P1108 WeakPolarHBondContact O-CD 3.37Å |
| 1107 | V | 64.9 | Low | 71.9 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | trans | -61.9 | 121.8 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | F1011 T1102 L1103 R1109 V1111 L1112 L1168 | F1011-V1107 HydrophobicContact CE1-CG2 3.95Å; F1011-V1107 HydrophobicContact CZ-CB 4.37Å; F1011-V1107 HydrophobicContact CZ-CG2 3.8Å; T1102-V1107 WeakPolarHBondContact O-CB 3.42Å; L1103-V1107 WeakPolarHBondContact CD2-O 3.34Å; V1107-R1109 PolarHBondContact O-N 3.12Å; V1107-V1111 HydrophobicContact CG1-CB 4.33Å; V1107-V1111 HydrophobicContact CG1-CG1 4.25Å; V1107-L1112 HydrophobicContact CG1-CB 4.29Å; V1107-L1168 HydrophobicContact CG1-CD1 4.43Å; V1107-L1168 HydrophobicContact CG1-CD2 4.43Å | ||
| 1108 | P | 73.5 | Confident | 71.7 | Confident | 60 Ų | 60 | 32.2 Ų | 32.2 | 39% | 0.39 | 18% | 0.18 | S | C | . | . | trans | -69.2 | 135.9 | -178.5 | 25.6 | -32.2 | 0 | 0 | 0 | 111 | G1106 N1110 V1111 L1112 | G1106-P1108 WeakPolarHBondContact O-CD 3.37Å; P1108-N1110 PolarHBondContact O-N 3.45Å; P1108-V1111 HydrophobicContact CG-CB 4.06Å; P1108-V1111 HydrophobicContact CG-CG2 3.73Å; P1108-V1111 WeakPolarHBondContact O-CB 3.29Å; P1108-V1111 PolarHBondContact O-N 3.4Å; P1108-L1112 PolarHBondContact O-N 3.32Å | ||
| 1109 | R | 81 | Confident | 71.6 | Confident | 113 Ų | 113 | 31.9 Ų | 31.9 | 43% | 0.426 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -43.8 | -42.1 | -174.7 | -70 | 177.1 | 178.5 | -97.5 | -8.4 | 114.2 | P966 L1103 V1107 V1111 L1112 I1113 | P966-R1109 HydrophobicContact CG-CG 4.41Å; L1103-R1109 HydrophobicContact CD1-CG 4.15Å; L1103-R1109 HydrophobicContact CD2-CB 4.34Å; L1103-R1109 HydrophobicContact CD2-CG 3.53Å; V1107-R1109 PolarHBondContact O-N 3.12Å; R1109-V1111 PolarHBondContact O-N 2.68Å; R1109-L1112 PolarHBondContact O-N 3.44Å; R1109-I1113 VanDerWaalsContact O-CG1 3.31Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.33Å; R1109-I1113 PolarHBondContact O-N 3.2Å |
| 1110 | N | 80.2 | Confident | 71.3 | Confident | 29 Ų | 29 | 32.5 Ų | 32.5 | 16% | 0.155 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.1 | -28.4 | -178.4 | -62.8 | -2.9 | 0 | 0 | 0 | 113.2 | A964 A996 L997 P1108 A1114 | A964-N1110 WeakPolarHBondContact CB-OD1 3.37Å; A996-N1110 PolarHBondContact O-ND2 2.87Å; A996-N1110 VanDerWaalsContact O-ND2 3.13Å; L997-N1110 HydrophobicContact CD2-CB 3.54Å; L997-N1110 HydrophobicContact CG-CB 3.83Å; P1108-N1110 PolarHBondContact O-N 3.45Å; N1110-A1114 VanDerWaalsContact O-CB 3.29Å; N1110-A1114 WeakPolarHBondContact O-CB 3.22Å; N1110-A1114 PolarHBondContact O-N 3.1Å |
| 1111 | V | 72.3 | Confident | 70.8 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.036 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -73.9 | -43.1 | 173.3 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | L997 L1015 L1019 V1107 P1108 R1109 I1113 A1114 A1115 | L997-V1111 HydrophobicContact CD1-CG2 4.42Å; L997-V1111 HydrophobicContact CD2-CG2 3.56Å; L1015-V1111 HydrophobicContact CD2-CG1 4.31Å; L1019-V1111 HydrophobicContact CD1-CG1 4.14Å; V1107-V1111 HydrophobicContact CG1-CB 4.33Å; V1107-V1111 HydrophobicContact CG1-CG1 4.25Å; P1108-V1111 HydrophobicContact CG-CB 4.06Å; P1108-V1111 HydrophobicContact CG-CG2 3.73Å; P1108-V1111 WeakPolarHBondContact O-CB 3.29Å; P1108-V1111 PolarHBondContact O-N 3.4Å; R1109-V1111 PolarHBondContact O-N 2.68Å; V1111-I1113 PolarHBondContact O-N 2.94Å; V1111-A1114 PolarHBondContact O-N 3.48Å; V1111-A1115 WeakPolarHBondContact O-CB 3.23Å; V1111-A1115 PolarHBondContact O-N 3.43Å |
| 1112 | L | 75.3 | Confident | 69.8 | Low | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | 174.4 | -177.7 | 60.8 | 0 | 0 | 0 | 110.9 | P966 I1099 L1103 V1107 P1108 R1109 A1114 A1115 C1116 L1168 | P966-L1112 HydrophobicContact CB-CD2 3.99Å; P966-L1112 HydrophobicContact CB-CG 4.41Å; I1099-L1112 HydrophobicContact CG2-CD2 4.06Å; L1103-L1112 HydrophobicContact CD2-CD2 4.18Å; L1103-L1112 HydrophobicContact CG-CD2 4.39Å; V1107-L1112 HydrophobicContact CG1-CB 4.29Å; P1108-L1112 PolarHBondContact O-N 3.32Å; R1109-L1112 PolarHBondContact O-N 3.44Å; L1112-A1114 PolarHBondContact O-N 3.08Å; L1112-A1115 PolarHBondContact O-N 3.3Å; L1112-C1116 PolarHBondContact O-N 2.89Å; L1112-C1116 PolarHBondContact O-SG 2.88Å; L1112-L1168 HydrophobicContact CD1-CD1 3.75Å |
| 1113 | I | 80.6 | Confident | 69.2 | Low | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.015 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.3 | -46.3 | 174.2 | -70.9 | 167.9 | 0 | 0 | 0 | 111.7 | V961 A964 P966 V969 A993 R1109 V1111 A1115 C1116 L1117 | V961-I1113 HydrophobicContact CB-CG2 4.45Å; V961-I1113 HydrophobicContact CG1-CG2 4.1Å; V961-I1113 HydrophobicContact CG2-CG2 3.9Å; A964-I1113 HydrophobicContact CB-CD1 4.26Å; P966-I1113 HydrophobicContact CB-CD1 4.36Å; P966-I1113 HydrophobicContact CB-CG1 3.88Å; V969-I1113 HydrophobicContact CG1-CG2 4.47Å; V969-I1113 HydrophobicContact CG2-CG1 4.42Å; V969-I1113 HydrophobicContact CG2-CG2 4.45Å; A993-I1113 HydrophobicContact CB-CG2 3.98Å; R1109-I1113 VanDerWaalsContact O-CG1 3.31Å; R1109-I1113 WeakPolarHBondContact O-CG1 3.33Å; R1109-I1113 PolarHBondContact O-N 3.2Å; V1111-I1113 PolarHBondContact O-N 2.94Å; I1113-A1115 VanDerWaalsContact C-N 3.32Å; I1113-A1115 PolarHBondContact O-N 3.5Å; I1113-C1116 PolarHBondContact O-N 3.44Å; I1113-L1117 HydrophobicContact CG2-CD1 3.8Å; I1113-L1117 HydrophobicContact CG2-CG 4.45Å; I1113-L1117 WeakPolarHBondContact O-CB 3.21Å; I1113-L1117 VanDerWaalsContact O-CG 3.26Å; I1113-L1117 WeakPolarHBondContact O-CG 2.96Å; I1113-L1117 PolarHBondContact O-N 3.2Å |
| 1114 | A | 75 | Confident | 68.2 | Low | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.9 | -36.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A993 L997 N1110 V1111 L1112 A1118 | A993-A1114 HydrophobicContact CB-CB 4.35Å; L997-A1114 HydrophobicContact CD1-CB 3.97Å; N1110-A1114 VanDerWaalsContact O-CB 3.29Å; N1110-A1114 WeakPolarHBondContact O-CB 3.22Å; N1110-A1114 PolarHBondContact O-N 3.1Å; V1111-A1114 PolarHBondContact O-N 3.48Å; L1112-A1114 PolarHBondContact O-N 3.08Å; A1114-A1118 WeakPolarHBondContact O-CB 3.42Å; A1114-A1118 PolarHBondContact O-N 2.85Å |
| 1115 | A | 67.1 | Low | 66.6 | Low | 9 Ų | 9 | 24.8 Ų | 24.8 | 7% | 0.074 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.9 | -47.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1111 L1112 I1113 L1117 A1118 S1119 L1172 | V1111-A1115 WeakPolarHBondContact O-CB 3.23Å; V1111-A1115 PolarHBondContact O-N 3.43Å; L1112-A1115 PolarHBondContact O-N 3.3Å; I1113-A1115 VanDerWaalsContact C-N 3.32Å; I1113-A1115 PolarHBondContact O-N 3.5Å; A1115-L1117 VanDerWaalsContact C-N 3.3Å; A1115-L1117 PolarHBondContact O-N 2.82Å; A1115-A1118 WeakPolarHBondContact O-CB 3.34Å; A1115-A1118 PolarHBondContact O-N 3.11Å; A1115-S1119 PolarHBondContact O-N 3.28Å; A1115-S1119 PolarHBondContact O-OG 3.24Å; A1115-L1172 HydrophobicContact CB-CD1 3.94Å; A1115-L1172 HydrophobicContact CB-CD2 3.96Å |
| 1116 | C | 71.5 | Confident | 65.1 | Low | 10 Ų | 10 | 27 Ų | 27 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -39.8 | 175.5 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | C970 L973 L1112 I1113 A1120 | C970-C1116 VanDerWaalsContact SG-SG 3.62Å; L973-C1116 HydrophobicContact CD1-CB 4.34Å; L1112-C1116 PolarHBondContact O-N 2.89Å; L1112-C1116 PolarHBondContact O-SG 2.88Å; I1113-C1116 PolarHBondContact O-N 3.44Å; C1116-A1120 WeakPolarHBondContact O-CB 3.15Å; C1116-A1120 PolarHBondContact O-N 3.04Å |
| 1117 | L | 73.9 | Confident | 63.6 | Low | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.2 | -37.1 | 172.9 | -70.9 | 169.9 | 0 | 0 | 0 | 112.4 | L957 V961 L973 A979 P989 A993 I1113 A1115 A1120 I1121 | L957-L1117 HydrophobicContact CD2-CD2 4.33Å; V961-L1117 HydrophobicContact CG2-CD1 3.91Å; L973-L1117 HydrophobicContact CD1-CD2 4.34Å; L973-L1117 HydrophobicContact CD2-CD2 4.42Å; A979-L1117 HydrophobicContact CB-CD2 4.13Å; P989-L1117 HydrophobicContact CB-CD1 4.2Å; P989-L1117 HydrophobicContact CB-CD2 4.12Å; A993-L1117 HydrophobicContact CB-CD1 4.05Å; I1113-L1117 HydrophobicContact CG2-CD1 3.8Å; I1113-L1117 HydrophobicContact CG2-CG 4.45Å; I1113-L1117 WeakPolarHBondContact O-CB 3.21Å; I1113-L1117 VanDerWaalsContact O-CG 3.26Å; I1113-L1117 WeakPolarHBondContact O-CG 2.96Å; I1113-L1117 PolarHBondContact O-N 3.2Å; A1115-L1117 VanDerWaalsContact C-N 3.3Å; A1115-L1117 PolarHBondContact O-N 2.82Å; L1117-A1120 PolarHBondContact O-N 2.87Å; L1117-I1121 WeakPolarHBondContact O-CB 3.03Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.33Å; L1117-I1121 PolarHBondContact O-N 3.18Å |
| 1118 | A | 65.3 | Low | 62 | Low | 8 Ų | 8 | 31.1 Ų | 31.1 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M990 A1114 A1115 I1121 G1122 | M990-A1118 HydrophobicContact CE-CB 3.54Å; A1114-A1118 WeakPolarHBondContact O-CB 3.42Å; A1114-A1118 PolarHBondContact O-N 2.85Å; A1115-A1118 WeakPolarHBondContact O-CB 3.34Å; A1115-A1118 PolarHBondContact O-N 3.11Å; A1118-I1121 PolarHBondContact O-N 2.92Å; A1118-G1122 PolarHBondContact O-N 2.88Å |
| 1119 | S | 62.9 | Low | 59.9 | Low | 24 Ų | 24 | 32.2 Ų | 32.2 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | A1115 G1122 A1123 | A1115-S1119 PolarHBondContact O-N 3.28Å; A1115-S1119 PolarHBondContact O-OG 3.24Å; S1119-G1122 PolarHBondContact O-N 2.74Å; S1119-A1123 PolarHBondContact O-N 3.49Å; S1119-A1123 VanDerWaalsContact O-N 3.08Å |
| 1120 | A | 66.1 | Low | 57.3 | Low | 20 Ų | 20 | 31.1 Ų | 31.1 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.1 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L973 A979 C1116 L1117 G1122 A1123 E1124 | L973-A1120 HydrophobicContact CD1-CB 4.08Å; L973-A1120 HydrophobicContact CD2-CB 3.78Å; L973-A1120 HydrophobicContact CG-CB 4.44Å; A979-A1120 HydrophobicContact CB-CB 3.76Å; C1116-A1120 WeakPolarHBondContact O-CB 3.15Å; C1116-A1120 PolarHBondContact O-N 3.04Å; L1117-A1120 PolarHBondContact O-N 2.87Å; A1120-G1122 PolarHBondContact O-N 3.2Å; A1120-A1123 PolarHBondContact O-N 3.5Å; A1120-A1123 VanDerWaalsContact O-N 3.1Å; A1120-E1124 WeakPolarHBondContact O-CG 3.47Å; A1120-E1124 PolarHBondContact O-N 2.93Å |
| 1121 | I | 64.2 | Low | 54.8 | Low | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -28.6 | 176.2 | -63.5 | 165.8 | 0 | 0 | 0 | 110.8 | A979 M990 L1026 L1117 A1118 S1125 | A979-I1121 HydrophobicContact CB-CD1 4.29Å; A979-I1121 HydrophobicContact CB-CG1 3.51Å; M990-I1121 HydrophobicContact CB-CD1 3.81Å; M990-I1121 HydrophobicContact CG-CD1 4.2Å; M990-I1121 HydrophobicContact SD-CD1 3.62Å; L1026-I1121 HydrophobicContact CB-CG2 3.86Å; L1026-I1121 HydrophobicContact CD1-CB 4.25Å; L1026-I1121 HydrophobicContact CD1-CG2 3.96Å; L1026-I1121 HydrophobicContact CD2-CG2 4.3Å; L1026-I1121 HydrophobicContact CG-CG2 4.26Å; L1117-I1121 WeakPolarHBondContact O-CB 3.03Å; L1117-I1121 WeakPolarHBondContact O-CG1 3.33Å; L1117-I1121 PolarHBondContact O-N 3.18Å; A1118-I1121 PolarHBondContact O-N 2.92Å; I1121-S1125 VanDerWaalsContact O-CB 3.24Å; I1121-S1125 WeakPolarHBondContact O-CB 3.41Å; I1121-S1125 PolarHBondContact O-N 3.06Å; I1121-S1125 PolarHBondContact O-OG 3.32Å |
| 1122 | G | 49.2 | Very low | 52.6 | Low | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -48.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1118 S1119 A1120 E1124 S1125 W1126 | A1118-G1122 PolarHBondContact O-N 2.88Å; S1119-G1122 PolarHBondContact O-N 2.74Å; A1120-G1122 PolarHBondContact O-N 3.2Å; G1122-E1124 PolarHBondContact O-N 2.81Å; G1122-S1125 PolarHBondContact O-N 3.22Å; G1122-S1125 PolarHBondContact O-OG 3.46Å; G1122-W1126 PolarHBondContact O-N 3.16Å |
| 1123 | A | 52.5 | Low | 50.4 | Low | 47 Ų | 47 | 39.2 Ų | 39.2 | 39% | 0.388 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.4 | -37.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S1119 A1120 S1127 | S1119-A1123 PolarHBondContact O-N 3.49Å; S1119-A1123 VanDerWaalsContact O-N 3.08Å; A1120-A1123 PolarHBondContact O-N 3.5Å; A1120-A1123 VanDerWaalsContact O-N 3.1Å; A1123-S1127 PolarHBondContact O-N 2.94Å; A1123-S1127 VanDerWaalsContact O-N 3.12Å; A1123-S1127 PolarHBondContact O-OG 3.26Å |
| 1124 | E | 51.3 | Low | 47.8 | Very low | 47 Ų | 47 | 46.2 Ų | 46.2 | 22% | 0.22 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 172.7 | -71.4 | -177.1 | 177.3 | 0 | 0 | 111.8 | R978 A979 A980 A1120 G1122 W1126 S1127 S1128 | R978-E1124 WeakPolarHBondContact CA-OE1 3.29Å; A979-E1124 PolarHBondContact N-OE1 2.75Å; A979-E1124 PolarHBondContact N-OE2 2.87Å; A980-E1124 WeakPolarHBondContact CB-OE2 3.31Å; A980-E1124 PolarHBondContact N-OE2 3.25Å; A1120-E1124 WeakPolarHBondContact O-CG 3.47Å; A1120-E1124 PolarHBondContact O-N 2.93Å; G1122-E1124 PolarHBondContact O-N 2.81Å; E1124-W1126 VanDerWaalsContact C-N 3.34Å; E1124-W1126 PolarHBondContact O-N 3.08Å; E1124-S1127 WeakPolarHBondContact CA-OG 3.44Å; E1124-S1127 PolarHBondContact O-N 2.9Å; E1124-S1127 PolarHBondContact O-OG 3.36Å; E1124-S1127 VanDerWaalsContact O-OG 3.12Å; E1124-S1128 WeakPolarHBondContact O-CB 3.41Å; E1124-S1128 PolarHBondContact O-N 2.83Å; E1124-S1128 PolarHBondContact O-OG 3.5Å |
| 1125 | S | 41.7 | Very low | 45.4 | Very low | 19 Ų | 19 | 50.8 Ų | 50.8 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 179.9 | 73.1 | 0 | 0 | 0 | 0 | 111.7 | I1121 G1122 S1128 H1129 | I1121-S1125 VanDerWaalsContact O-CB 3.24Å; I1121-S1125 WeakPolarHBondContact O-CB 3.41Å; I1121-S1125 PolarHBondContact O-N 3.06Å; I1121-S1125 PolarHBondContact O-OG 3.32Å; G1122-S1125 PolarHBondContact O-N 3.22Å; G1122-S1125 PolarHBondContact O-OG 3.46Å; S1125-S1128 WeakPolarHBondContact CA-OG 3.45Å; S1125-S1128 PolarHBondContact O-N 3.16Å; S1125-S1128 PolarHBondContact O-OG 2.96Å; S1125-S1128 VanDerWaalsContact O-OG 3.07Å; S1125-H1129 VanDerWaalsContact O-CB 3.3Å; S1125-H1129 WeakPolarHBondContact O-CB 3.37Å; S1125-H1129 PolarHBondContact O-CD2 3.34Å; S1125-H1129 PolarHBondContact O-N 3.02Å |
| 1126 | W | 31.9 | Very low | 43.4 | Very low | 109 Ų | 109 | 58.8 Ų | 58.8 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.3 | -43.8 | 174.9 | -78.6 | 49.9 | 0 | 0 | 0 | 112.5 | G1122 E1124 S1128 H1129 L1130 | G1122-W1126 PolarHBondContact O-N 3.16Å; E1124-W1126 VanDerWaalsContact C-N 3.34Å; E1124-W1126 PolarHBondContact O-N 3.08Å; W1126-S1128 VanDerWaalsContact C-N 3.28Å; W1126-S1128 PolarHBondContact O-N 2.97Å; W1126-H1129 PolarHBondContact O-N 2.86Å; W1126-L1130 PolarHBondContact O-N 2.73Å |
| 1127 | S | 34.7 | Very low | 41.2 | Very low | 78 Ų | 78 | 63.7 Ų | 63.7 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68 | -25.9 | 176 | 46.2 | 0 | 0 | 0 | 0 | 113 | A1123 E1124 | A1123-S1127 PolarHBondContact O-N 2.94Å; A1123-S1127 VanDerWaalsContact O-N 3.12Å; A1123-S1127 PolarHBondContact O-OG 3.26Å; E1124-S1127 WeakPolarHBondContact CA-OG 3.44Å; E1124-S1127 PolarHBondContact O-N 2.9Å; E1124-S1127 PolarHBondContact O-OG 3.36Å; E1124-S1127 VanDerWaalsContact O-OG 3.12Å |
| 1128 | S | 32.1 | Very low | 39 | Very low | 55 Ų | 55 | 66.2 Ų | 66.2 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -85.3 | -31.9 | 169.3 | 62.1 | 0 | 0 | 0 | 0 | 114.8 | E1124 S1125 W1126 G1131 A1132 | E1124-S1128 WeakPolarHBondContact O-CB 3.41Å; E1124-S1128 PolarHBondContact O-N 2.83Å; E1124-S1128 PolarHBondContact O-OG 3.5Å; S1125-S1128 WeakPolarHBondContact CA-OG 3.45Å; S1125-S1128 PolarHBondContact O-N 3.16Å; S1125-S1128 PolarHBondContact O-OG 2.96Å; S1125-S1128 VanDerWaalsContact O-OG 3.07Å; W1126-S1128 VanDerWaalsContact C-N 3.28Å; W1126-S1128 PolarHBondContact O-N 2.97Å; S1128-G1131 CarbonylContact O-C 3.56Å; S1128-G1131 WeakPolarHBondContact O-CA 3.4Å; S1128-G1131 PolarHBondContact O-N 3.06Å; S1128-A1132 WeakPolarHBondContact O-CB 3.47Å; S1128-A1132 PolarHBondContact O-N 2.91Å; S1128-A1132 VanDerWaalsContact O-N 3.11Å |
| 1129 | H | 28.2 | Very low | 37.1 | Very low | 82 Ų | 82 | 71.4 Ų | 71.4 | 38% | 0.38 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 176.8 | -100.4 | -81 | 0 | 0 | 0 | 111.2 | S1125 W1126 G1131 A1132 I1133 | S1125-H1129 VanDerWaalsContact O-CB 3.3Å; S1125-H1129 WeakPolarHBondContact O-CB 3.37Å; S1125-H1129 PolarHBondContact O-CD2 3.34Å; S1125-H1129 PolarHBondContact O-N 3.02Å; W1126-H1129 PolarHBondContact O-N 2.86Å; H1129-G1131 PolarHBondContact O-N 2.69Å; H1129-G1131 VanDerWaalsContact O-N 3.11Å; H1129-A1132 WeakPolarHBondContact O-CA 3.21Å; H1129-A1132 PolarHBondContact O-N 3.15Å; H1129-I1133 WeakPolarHBondContact O-CG1 3.42Å; H1129-I1133 PolarHBondContact O-N 3.43Å |
| 1130 | L | 27.2 | Very low | 35.4 | Very low | 90 Ų | 90 | 78.2 Ų | 78.2 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -7.2 | 169 | -77.4 | 162.1 | 0 | 0 | 0 | 113.7 | W1126 | W1126-L1130 PolarHBondContact O-N 2.73Š|
| 1131 | G | 27.8 | Very low | 33.6 | Very low | 59 Ų | 59 | 84.8 Ų | 84.8 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -2.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S1128 H1129 | S1128-G1131 CarbonylContact O-C 3.56Å; S1128-G1131 WeakPolarHBondContact O-CA 3.4Å; S1128-G1131 PolarHBondContact O-N 3.06Å; H1129-G1131 PolarHBondContact O-N 2.69Å; H1129-G1131 VanDerWaalsContact O-N 3.11Å |
| 1132 | A | 26.8 | Very low | 31.8 | Very low | 31 Ų | 31 | 91.5 Ų | 91.5 | 26% | 0.256 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -18 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1033 S1128 H1129 N1134 S1135 | L1033-A1132 HydrophobicContact CD2-CB 4.38Å; S1128-A1132 WeakPolarHBondContact O-CB 3.47Å; S1128-A1132 PolarHBondContact O-N 2.91Å; S1128-A1132 VanDerWaalsContact O-N 3.11Å; H1129-A1132 WeakPolarHBondContact O-CA 3.21Å; H1129-A1132 PolarHBondContact O-N 3.15Å; A1132-N1134 PolarHBondContact O-N 2.92Å; A1132-S1135 PolarHBondContact O-OG 3Å |
| 1133 | I | 27.5 | Very low | 30.8 | Very low | 120 Ų | 120 | 97.6 Ų | 97.6 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -4.3 | 173.1 | -14.9 | -172.5 | 0 | 0 | 0 | 112.9 | H1129 | H1129-I1133 WeakPolarHBondContact O-CG1 3.42Å; H1129-I1133 PolarHBondContact O-N 3.43Å |
| 1134 | N | 26 | Very low | 29.6 | Very low | 150 Ų | 150 | 102.3 Ų | 102.3 | 80% | 0.802 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 30.1 | 174.5 | -70.2 | 1.1 | 0 | 0 | 0 | 112.4 | A1132 | A1132-N1134 PolarHBondContact O-N 2.92Š|
| 1135 | S | 25.3 | Very low | 28.3 | Very low | 96 Ų | 96 | 108 Ų | 108 | 67% | 0.671 | 61% | 0.608 | S | S | * | * | trans | -137.8 | 41.7 | 176.2 | 68.9 | 0 | 0 | 0 | 0 | 114.4 | A1132 | A1132-S1135 PolarHBondContact O-OG 3Š| ||
| 1136 | E | 24.9 | Very low | 27.6 | Very low | 177 Ų | 177 | 113.1 Ų | 113.1 | 83% | 0.827 | 64% | 0.639 | S | S | * | * | trans | -76 | 143.3 | 145.8 | -67.2 | -174.5 | 177.6 | 0 | 0 | 107.8 | ||||
| 1137 | S | 24.8 | Very low | 27.2 | Very low | 114 Ų | 114 | 113.3 Ų | 113.3 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | cis | -164.7 | 174 | 2.7 | 48.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1138 | A | 28 | Very low | 26.8 | Very low | 53 Ų | 53 | 114.1 Ų | 114.1 | 44% | 0.438 | 65% | 0.654 | S | S | . | * | cis | -172.5 | 147.2 | -32.5 | 0 | 0 | 0 | 0 | 0 | 107 | E1140 R1546 | A1138-E1140 HydrophobicContact CB-CG 4.48Å; A1138-R1546 VanDerWaalsContact O-CZ 3.22Å; A1138-R1546 PolarHBondContact O-NE 3Å; A1138-R1546 PolarHBondContact O-NH2 3.29Å | ||
| 1139 | E | 25.8 | Very low | 26.5 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 55% | 0.547 | 68% | 0.677 | S | S | . | * | trans | -145.1 | 83.7 | 146.7 | -79.7 | -173.2 | -162.5 | 0 | 0 | 103.7 | R1546 N1548 | E1139-R1546 VanDerWaalsContact CD-NH1 3.32Å; E1139-R1546 VanDerWaalsContact CG-NH1 3.31Å; E1139-R1546 VanDerWaalsContact OE1-CD 3.23Å; E1139-R1546 WeakPolarHBondContact OE1-CD 3.45Å; E1139-R1546 IonicContact OE1-CZ 2.72Å; E1139-R1546 VanDerWaalsContact OE1-CZ 3.23Å; E1139-R1546 IonicContact OE1-NE 2.71Å; E1139-R1546 PolarHBondContact OE1-NE 3.34Å; E1139-R1546 IonicContact OE1-NH1 3.81Å; E1139-R1546 PolarHBondContact OE1-NH1 3.43Å; E1139-N1548 PolarHBondContact OE1-ND2 3.01Å | ||
| 1140 | E | 27.7 | Very low | 26.4 | Very low | 166 Ų | 166 | 121.1 Ų | 121.1 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | 52.9 | 89.3 | 87.4 | -68.9 | -170.8 | 144.9 | 0 | 0 | 112.9 | A1138 | A1138-E1140 HydrophobicContact CB-CG 4.48Š| |||
| 1141 | D | 27.3 | Very low | 26.5 | Very low | 158 Ų | 158 | 120.8 Ų | 120.8 | 85% | 0.845 | 69% | 0.689 | S | S | * | * | trans | -146.6 | 150.2 | 141.4 | -134 | -27.5 | 0 | 0 | 0 | 110.7 | ||||
| 1142 | N | 26.1 | Very low | 26.7 | Very low | 151 Ų | 151 | 120.6 Ų | 120.6 | 81% | 0.807 | 68% | 0.679 | S | S | * | * | trans | -78.4 | 121.3 | -155.8 | -66.9 | -96.8 | 0 | 0 | 0 | 114.9 | ||||
| 1143 | V | 28.2 | Very low | 27 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | trans | -145.4 | 114.7 | 143.8 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1144 | D | 27.5 | Very low | 27.6 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | trans | 38.6 | 111.9 | 157.2 | -56.8 | -22.1 | 0 | 0 | 0 | 121.5 | V1146 | D1144-V1146 PolarHBondContact O-N 2.9Š| ||
| 1145 | N | 24.4 | Very low | 28.2 | Very low | 166 Ų | 166 | 120 Ų | 120 | 89% | 0.888 | 67% | 0.665 | S | S | * | * | trans | -56.9 | 122.7 | 165.7 | -70.1 | -46.4 | 0 | 0 | 0 | 113 | ||||
| 1146 | V | 26.7 | Very low | 29 | Very low | 128 Ų | 128 | 117.3 Ų | 117.3 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | trans | -128.4 | 108.8 | 152.7 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | D1144 | D1144-V1146 PolarHBondContact O-N 2.9Š| ||
| 1147 | T | 23.7 | Very low | 30 | Very low | 112 Ų | 112 | 112.3 Ų | 112.3 | 69% | 0.687 | 63% | 0.626 | S | S | * | * | trans | -72.4 | 127.2 | -179.5 | 43.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1148 | T | 26.8 | Very low | 30.9 | Very low | 95 Ų | 95 | 109.2 Ų | 109.2 | 58% | 0.583 | 60% | 0.6 | S | S | * | * | trans | -117.2 | 35.2 | 169.9 | 57.7 | 0 | 0 | 0 | 0 | 112.3 | S1150 | T1148-S1150 PolarHBondContact O-N 3.4Š| ||
| 1149 | E | 25.7 | Very low | 31.8 | Very low | 186 Ų | 186 | 108 Ų | 108 | 87% | 0.869 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 65.2 | 167.4 | -63.8 | -175.2 | 132.4 | 0 | 0 | 110.9 | ||
| 1150 | S | 27 | Very low | 32.9 | Very low | 98 Ų | 98 | 103.1 Ų | 103.1 | 69% | 0.685 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.1 | -10.1 | 179.5 | 61.5 | 0 | 0 | 0 | 0 | 115.9 | T1148 S1152 | T1148-S1150 PolarHBondContact O-N 3.4Å; S1150-S1152 PolarHBondContact O-N 2.97Å |
| 1151 | I | 29.1 | Very low | 33.9 | Very low | 83 Ų | 83 | 103.4 Ų | 103.4 | 43% | 0.426 | 56% | 0.558 | S | S | . | * | trans | -79.3 | 76 | 177.2 | -50.3 | -175 | 0 | 0 | 0 | 109.2 | M1029 F1155 | M1029-I1151 HydrophobicContact CE-CD1 3.75Å; I1151-F1155 HydrophobicContact CG2-CB 3.78Å; I1151-F1155 HydrophobicContact CG2-CD2 4.21Å; I1151-F1155 HydrophobicContact CG2-CG 4.12Å | ||
| 1152 | S | 31.3 | Very low | 35 | Very low | 56 Ų | 56 | 101.1 Ų | 101.1 | 39% | 0.392 | 54% | 0.543 | S | S | . | . | trans | -63.1 | 172.9 | 174.5 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | S1150 N1154 F1155 | S1150-S1152 PolarHBondContact O-N 2.97Å; S1152-N1154 PolarHBondContact O-N 2.82Å; S1152-N1154 PolarHBondContact OG-N 3.25Å; S1152-N1154 PolarHBondContact OG-ND2 2.84Å; S1152-F1155 PolarHBondContact O-N 3.37Å | ||
| 1153 | E | 33.3 | Very low | 36.1 | Very low | 179 Ų | 179 | 94.7 Ų | 94.7 | 84% | 0.836 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -11.9 | 173.8 | -61.1 | -179.2 | 118.6 | 0 | 0 | 114 | ||
| 1154 | N | 40.2 | Very low | 37.2 | Very low | 66 Ų | 66 | 98.5 Ų | 98.5 | 35% | 0.353 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -10.2 | -179.8 | -58.9 | -80.8 | 0 | 0 | 0 | 115.7 | S1152 V1156 T1157 D1158 | S1152-N1154 PolarHBondContact O-N 2.82Å; S1152-N1154 PolarHBondContact OG-N 3.25Å; S1152-N1154 PolarHBondContact OG-ND2 2.84Å; N1154-V1156 VanDerWaalsContact C-N 3.3Å; N1154-V1156 PolarHBondContact O-N 2.84Å; N1154-T1157 VanDerWaalsContact CA-OG1 3.27Å; N1154-T1157 WeakPolarHBondContact CA-OG1 3.36Å; N1154-T1157 CarbonylContact O-C 3.58Å; N1154-T1157 WeakPolarHBondContact O-CA 3.47Å; N1154-T1157 PolarHBondContact O-N 2.97Å; N1154-T1157 PolarHBondContact O-OG1 3.33Å; N1154-D1158 WeakPolarHBondContact CB-OD2 3.44Å; N1154-D1158 WeakPolarHBondContact O-CB 3.35Å; N1154-D1158 PolarHBondContact O-N 3.42Å |
| 1155 | F | 38.9 | Very low | 38.3 | Very low | 42 Ų | 42 | 93.4 Ų | 93.4 | 18% | 0.184 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -50.7 | -42.8 | -168.2 | -178.5 | -102.7 | 0 | 0 | 0 | 115.4 | V1022 I1151 S1152 D1158 V1159 | V1022-F1155 HydrophobicContact CG1-CZ 4.26Å; I1151-F1155 HydrophobicContact CG2-CB 3.78Å; I1151-F1155 HydrophobicContact CG2-CD2 4.21Å; I1151-F1155 HydrophobicContact CG2-CG 4.12Å; S1152-F1155 PolarHBondContact O-N 3.37Å; F1155-D1158 PolarHBondContact O-N 3.31Å; F1155-V1159 HydrophobicContact CE1-CG2 4.34Å; F1155-V1159 HydrophobicContact CE2-CG2 4.47Å; F1155-V1159 HydrophobicContact CZ-CG2 4.19Å; F1155-V1159 WeakPolarHBondContact O-CG2 3.21Å; F1155-V1159 PolarHBondContact O-N 2.81Å |
| 1156 | V | 41.9 | Very low | 39.8 | Very low | 40 Ų | 40 | 89.3 Ų | 89.3 | 24% | 0.242 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -71.7 | -38 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | N1154 D1158 F1160 | N1154-V1156 VanDerWaalsContact C-N 3.3Å; N1154-V1156 PolarHBondContact O-N 2.84Å; V1156-D1158 VanDerWaalsContact C-N 3.34Å; V1156-F1160 HydrophobicContact CG1-CD2 4.11Å; V1156-F1160 HydrophobicContact CG1-CE2 3.59Å; V1156-F1160 HydrophobicContact CG1-CZ 4.08Å; V1156-F1160 WeakPolarHBondContact O-CD2 3.27Å; V1156-F1160 WeakPolarHBondContact O-CG 3.41Å; V1156-F1160 PolarHBondContact O-N 2.98Å |
| 1157 | T | 45.7 | Very low | 41 | Very low | 72 Ų | 72 | 85.3 Ų | 85.3 | 44% | 0.442 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -74.3 | -22.3 | 175.4 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | N1154 F1160 R1161 | N1154-T1157 VanDerWaalsContact CA-OG1 3.27Å; N1154-T1157 WeakPolarHBondContact CA-OG1 3.36Å; N1154-T1157 CarbonylContact O-C 3.58Å; N1154-T1157 WeakPolarHBondContact O-CA 3.47Å; N1154-T1157 PolarHBondContact O-N 2.97Å; N1154-T1157 PolarHBondContact O-OG1 3.33Å; T1157-F1160 CarbonylContact O-C 3.36Å; T1157-F1160 PolarHBondContact O-N 3.12Å; T1157-R1161 WeakPolarHBondContact O-CB 3.32Å; T1157-R1161 PolarHBondContact O-N 3.24Å |
| 1158 | D | 44.7 | Very low | 42.4 | Very low | 49 Ų | 49 | 80.2 Ų | 80.2 | 26% | 0.262 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -78 | -41.7 | 173.9 | -74.5 | -31.7 | 0 | 0 | 0 | 111 | N1154 F1155 V1156 F1160 R1161 E1162 | N1154-D1158 WeakPolarHBondContact CB-OD2 3.44Å; N1154-D1158 WeakPolarHBondContact O-CB 3.35Å; N1154-D1158 PolarHBondContact O-N 3.42Å; F1155-D1158 PolarHBondContact O-N 3.31Å; V1156-D1158 VanDerWaalsContact C-N 3.34Å; D1158-F1160 PolarHBondContact O-N 2.98Å; D1158-R1161 CarbonylContact O-C 3.6Å; D1158-R1161 PolarHBondContact O-N 3.48Å; D1158-R1161 IonicContact OD1-CZ 3.36Å; D1158-R1161 IonicContact OD1-NH1 3.2Å; D1158-R1161 PolarHBondContact OD1-NH1 2.86Å; D1158-E1162 PolarHBondContact O-N 3.05Å |
| 1159 | V | 46.4 | Very low | 43.8 | Very low | 27 Ų | 27 | 78.5 Ų | 78.5 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.3 | -37.4 | 166.2 | 170.8 | 0 | 0 | 0 | 0 | 111 | F1018 F1155 C1163 | F1018-V1159 HydrophobicContact CZ-CG2 4.49Å; F1155-V1159 HydrophobicContact CE1-CG2 4.34Å; F1155-V1159 HydrophobicContact CE2-CG2 4.47Å; F1155-V1159 HydrophobicContact CZ-CG2 4.19Å; F1155-V1159 WeakPolarHBondContact O-CG2 3.21Å; F1155-V1159 PolarHBondContact O-N 2.81Å; V1159-C1163 WeakPolarHBondContact O-CB 3.46Å; V1159-C1163 PolarHBondContact O-N 3.22Å |
| 1160 | F | 48.9 | Very low | 45.4 | Very low | 15 Ų | 15 | 74.7 Ų | 74.7 | 7% | 0.066 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.6 | -29.2 | 170.4 | -66.2 | -39.6 | 0 | 0 | 0 | 113.8 | V1156 T1157 D1158 C1163 Q1169 L1172 Q1173 | V1156-F1160 HydrophobicContact CG1-CD2 4.11Å; V1156-F1160 HydrophobicContact CG1-CE2 3.59Å; V1156-F1160 HydrophobicContact CG1-CZ 4.08Å; V1156-F1160 WeakPolarHBondContact O-CD2 3.27Å; V1156-F1160 WeakPolarHBondContact O-CG 3.41Å; V1156-F1160 PolarHBondContact O-N 2.98Å; T1157-F1160 CarbonylContact O-C 3.36Å; T1157-F1160 PolarHBondContact O-N 3.12Å; D1158-F1160 PolarHBondContact O-N 2.98Å; F1160-C1163 WeakPolarHBondContact O-CB 3.44Å; F1160-Q1169 HydrophobicContact CB-CG 4.19Å; F1160-Q1169 PolarHBondContact O-NE2 3.03Å; F1160-L1172 HydrophobicContact CD1-CB 4.46Å; F1160-L1172 HydrophobicContact CE1-CB 3.77Å; F1160-Q1173 HydrophobicContact CD1-CG 4.28Å; F1160-Q1173 HydrophobicContact CD2-CG 4.12Å; F1160-Q1173 HydrophobicContact CE1-CG 4.05Å; F1160-Q1173 HydrophobicContact CE2-CG 3.87Å; F1160-Q1173 HydrophobicContact CG-CG 4.34Å; F1160-Q1173 HydrophobicContact CZ-CG 3.84Å |
| 1161 | R | 47.9 | Very low | 46.5 | Very low | 172 Ų | 172 | 70.4 Ų | 70.4 | 65% | 0.649 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -80.9 | -32.4 | -177.6 | 176.4 | -173.1 | -95.6 | 148 | -9.7 | 112.6 | T1157 D1158 C1163 | T1157-R1161 WeakPolarHBondContact O-CB 3.32Å; T1157-R1161 PolarHBondContact O-N 3.24Å; D1158-R1161 CarbonylContact O-C 3.6Å; D1158-R1161 PolarHBondContact O-N 3.48Å; D1158-R1161 IonicContact OD1-CZ 3.36Å; D1158-R1161 IonicContact OD1-NH1 3.2Å; D1158-R1161 PolarHBondContact OD1-NH1 2.86Å; R1161-C1163 VanDerWaalsContact C-N 3.31Å |
| 1162 | E | 50.4 | Low | 47.8 | Very low | 111 Ų | 111 | 66.9 Ų | 66.9 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -79.8 | -16.1 | 172 | -67.9 | -173 | 97.5 | 0 | 0 | 112.3 | F1018 D1158 R1164 | F1018-E1162 WeakPolarHBondContact CE2-OE2 3.35Å; F1018-E1162 HydrophobicContact CZ-CB 4.34Å; F1018-E1162 WeakPolarHBondContact CZ-OE2 3.32Å; D1158-E1162 PolarHBondContact O-N 3.05Å; E1162-R1164 VanDerWaalsContact C-N 3.32Å; E1162-R1164 PolarHBondContact O-N 3.11Å |
| 1163 | C | 49.9 | Very low | 49 | Very low | 16 Ų | 16 | 67.8 Ų | 67.8 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | trans | -70.3 | 84.1 | 168.6 | -162.7 | 0 | 0 | 0 | 0 | 110.9 | V1159 F1160 R1161 D1165 | V1159-C1163 WeakPolarHBondContact O-CB 3.46Å; V1159-C1163 PolarHBondContact O-N 3.22Å; F1160-C1163 WeakPolarHBondContact O-CB 3.44Å; R1161-C1163 VanDerWaalsContact C-N 3.31Å; C1163-D1165 PolarHBondContact O-N 3.12Å; C1163-D1165 VanDerWaalsContact O-N 3.15Å | ||
| 1164 | R | 50.1 | Low | 49.9 | Very low | 211 Ų | 211 | 62.8 Ų | 62.8 | 80% | 0.796 | 31% | 0.307 | S | S | * | . | trans | -64.8 | -11.1 | -179 | -68.5 | 179.7 | 175.4 | 173.1 | -4 | 115.4 | D1012 E1162 | D1012-R1164 IonicContact OD2-NH1 2.68Å; D1012-R1164 PolarHBondContact OD2-NH1 3.31Å; D1012-R1164 VanDerWaalsContact OD2-NH1 3.11Å; E1162-R1164 VanDerWaalsContact C-N 3.32Å; E1162-R1164 PolarHBondContact O-N 3.11Å | ||
| 1165 | D | 51.3 | Low | 50.4 | Low | 38 Ų | 38 | 60.6 Ų | 60.6 | 20% | 0.203 | 30% | 0.296 | C | S | . | . | trans | -92.3 | 111.7 | 175.2 | -176.2 | -47.2 | 0 | 0 | 0 | 108.8 | C1163 V1167 L1168 Q1169 | C1163-D1165 PolarHBondContact O-N 3.12Å; C1163-D1165 VanDerWaalsContact O-N 3.15Å; D1165-V1167 VanDerWaalsContact C-N 3.26Å; D1165-V1167 PolarHBondContact O-N 3.47Å; D1165-V1167 WeakPolarHBondContact OD1-CA 3.33Å; D1165-V1167 WeakPolarHBondContact OD1-CB 3.43Å; D1165-V1167 PolarHBondContact OD1-N 2.7Å; D1165-L1168 HydrophobicContact CB-CB 3.93Å; D1165-L1168 PolarHBondContact O-N 2.99Å; D1165-L1168 PolarHBondContact OD1-N 3.36Å; D1165-Q1169 WeakPolarHBondContact O-CB 3.37Å; D1165-Q1169 PolarHBondContact O-N 3.44Å | ||
| 1166 | P | 55.2 | Low | 51.1 | Low | 80 Ų | 80 | 61.3 Ų | 61.3 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.8 | -24.5 | -175.3 | 28.7 | -35.1 | 0 | 0 | 0 | 112.6 | L1170 | P1166-L1170 VanDerWaalsContact O-CB 3.3Å; P1166-L1170 WeakPolarHBondContact O-CB 3.35Å; P1166-L1170 WeakPolarHBondContact O-CD1 3.48Å; P1166-L1170 WeakPolarHBondContact O-CG 3.33Å; P1166-L1170 PolarHBondContact O-N 2.74Å |
| 1167 | V | 52.3 | Low | 51.5 | Low | 44 Ų | 44 | 64.3 Ų | 64.3 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -77.2 | -40.3 | 178.6 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | T1102 T1105 D1165 Q1169 L1170 A1171 | T1102-V1167 HydrophobicContact CG2-CG1 4.18Å; T1105-V1167 HydrophobicContact CG2-CB 4.12Å; T1105-V1167 HydrophobicContact CG2-CG1 3.9Å; T1105-V1167 HydrophobicContact CG2-CG2 4.13Å; D1165-V1167 VanDerWaalsContact C-N 3.26Å; D1165-V1167 PolarHBondContact O-N 3.47Å; D1165-V1167 WeakPolarHBondContact OD1-CA 3.33Å; D1165-V1167 WeakPolarHBondContact OD1-CB 3.43Å; D1165-V1167 PolarHBondContact OD1-N 2.7Å; V1167-Q1169 VanDerWaalsContact C-N 3.35Å; V1167-L1170 PolarHBondContact O-N 2.84Å; V1167-A1171 VanDerWaalsContact O-CB 3.26Å; V1167-A1171 WeakPolarHBondContact O-CB 3.27Å; V1167-A1171 PolarHBondContact O-N 3.21Å |
| 1168 | L | 53.7 | Low | 51.7 | Low | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 171.1 | -173.9 | 58.4 | 0 | 0 | 0 | 111.5 | V1107 L1112 D1165 L1172 | V1107-L1168 HydrophobicContact CG1-CD1 4.43Å; V1107-L1168 HydrophobicContact CG1-CD2 4.43Å; L1112-L1168 HydrophobicContact CD1-CD1 3.75Å; D1165-L1168 HydrophobicContact CB-CB 3.93Å; D1165-L1168 PolarHBondContact O-N 2.99Å; D1165-L1168 PolarHBondContact OD1-N 3.36Å; L1168-L1172 HydrophobicContact CD1-CD1 4.06Å; L1168-L1172 HydrophobicContact CD1-CG 4.17Å; L1168-L1172 HydrophobicContact CG-CD1 3.96Å; L1168-L1172 WeakPolarHBondContact O-CB 3.49Å; L1168-L1172 WeakPolarHBondContact O-CD1 3.36Å; L1168-L1172 WeakPolarHBondContact O-CG 3.14Å; L1168-L1172 PolarHBondContact O-N 3.24Å |
| 1169 | Q | 55.9 | Low | 51.7 | Low | 59 Ų | 59 | 60.7 Ų | 60.7 | 28% | 0.276 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.3 | -51.6 | 173.4 | -167.7 | -171.8 | 33.2 | 0 | 0 | 111.7 | F1160 D1165 V1167 A1171 L1172 Q1173 | F1160-Q1169 HydrophobicContact CB-CG 4.19Å; F1160-Q1169 PolarHBondContact O-NE2 3.03Å; D1165-Q1169 WeakPolarHBondContact O-CB 3.37Å; D1165-Q1169 PolarHBondContact O-N 3.44Å; V1167-Q1169 VanDerWaalsContact C-N 3.35Å; Q1169-A1171 PolarHBondContact O-N 2.95Å; Q1169-L1172 PolarHBondContact O-N 2.81Å; Q1169-Q1173 WeakPolarHBondContact O-CB 3.39Å; Q1169-Q1173 WeakPolarHBondContact O-CG 3.45Å; Q1169-Q1173 PolarHBondContact O-N 2.71Å |
| 1170 | L | 58.3 | Low | 51.5 | Low | 107 Ų | 107 | 63.9 Ų | 63.9 | 56% | 0.56 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.8 | -44.7 | 176.7 | -88.8 | 159.1 | 0 | 0 | 0 | 112.2 | P1166 V1167 Q1173 Q1174 | P1166-L1170 VanDerWaalsContact O-CB 3.3Å; P1166-L1170 WeakPolarHBondContact O-CB 3.35Å; P1166-L1170 WeakPolarHBondContact O-CD1 3.48Å; P1166-L1170 WeakPolarHBondContact O-CG 3.33Å; P1166-L1170 PolarHBondContact O-N 2.74Å; V1167-L1170 PolarHBondContact O-N 2.84Å; L1170-Q1173 PolarHBondContact O-N 3.5Å; L1170-Q1174 WeakPolarHBondContact O-CB 3.49Å; L1170-Q1174 PolarHBondContact O-N 2.98Å |
| 1171 | A | 51.6 | Low | 51 | Low | 7 Ų | 7 | 67 Ų | 67 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1098 T1102 V1167 Q1169 Q1174 C1175 | T1098-A1171 HydrophobicContact CG2-CB 3.71Å; T1102-A1171 HydrophobicContact CG2-CB 3.27Å; V1167-A1171 VanDerWaalsContact O-CB 3.26Å; V1167-A1171 WeakPolarHBondContact O-CB 3.27Å; V1167-A1171 PolarHBondContact O-N 3.21Å; Q1169-A1171 PolarHBondContact O-N 2.95Å; A1171-Q1174 PolarHBondContact O-N 2.79Å; A1171-C1175 WeakPolarHBondContact O-CB 3.49Å; A1171-C1175 PolarHBondContact O-N 2.57Å; A1171-C1175 PolarHBondContact O-SG 3.16Å; A1171-C1175 VanDerWaalsContact O-SG 3.35Å |
| 1172 | L | 55.4 | Low | 50.5 | Low | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 175.5 | -67 | 167 | 0 | 0 | 0 | 111.5 | A1115 F1160 L1168 Q1169 H1176 | A1115-L1172 HydrophobicContact CB-CD1 3.94Å; A1115-L1172 HydrophobicContact CB-CD2 3.96Å; F1160-L1172 HydrophobicContact CD1-CB 4.46Å; F1160-L1172 HydrophobicContact CE1-CB 3.77Å; L1168-L1172 HydrophobicContact CD1-CD1 4.06Å; L1168-L1172 HydrophobicContact CD1-CG 4.17Å; L1168-L1172 HydrophobicContact CG-CD1 3.96Å; L1168-L1172 WeakPolarHBondContact O-CB 3.49Å; L1168-L1172 WeakPolarHBondContact O-CD1 3.36Å; L1168-L1172 WeakPolarHBondContact O-CG 3.14Å; L1168-L1172 PolarHBondContact O-N 3.24Å; Q1169-L1172 PolarHBondContact O-N 2.81Å; L1172-H1176 VanDerWaalsContact O-CB 3.27Å; L1172-H1176 WeakPolarHBondContact O-CB 3.16Å; L1172-H1176 PolarHBondContact O-N 3.18Å |
| 1173 | Q | 56.5 | Low | 49.6 | Very low | 75 Ų | 75 | 60.3 Ų | 60.3 | 35% | 0.35 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 170.8 | -75.8 | 178.3 | -3.5 | 0 | 0 | 111.8 | F1160 Q1169 L1170 H1176 M1177 | F1160-Q1173 HydrophobicContact CD1-CG 4.28Å; F1160-Q1173 HydrophobicContact CD2-CG 4.12Å; F1160-Q1173 HydrophobicContact CE1-CG 4.05Å; F1160-Q1173 HydrophobicContact CE2-CG 3.87Å; F1160-Q1173 HydrophobicContact CG-CG 4.34Å; F1160-Q1173 HydrophobicContact CZ-CG 3.84Å; Q1169-Q1173 WeakPolarHBondContact O-CB 3.39Å; Q1169-Q1173 WeakPolarHBondContact O-CG 3.45Å; Q1169-Q1173 PolarHBondContact O-N 2.71Å; L1170-Q1173 PolarHBondContact O-N 3.5Å; Q1173-H1176 PolarHBondContact O-N 2.77Å; Q1173-M1177 WeakPolarHBondContact O-CB 3.31Å; Q1173-M1177 VanDerWaalsContact O-CG 3.27Å; Q1173-M1177 WeakPolarHBondContact O-CG 3.35Å; Q1173-M1177 PolarHBondContact O-N 3.4Å |
| 1174 | Q | 53.5 | Low | 48.4 | Very low | 74 Ų | 74 | 67.7 Ų | 67.7 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 178 | -175.1 | 67.8 | 6.6 | 0 | 0 | 111.6 | R1094 L1170 A1171 H1176 M1177 E1178 | R1094-Q1174 VanDerWaalsContact NH2-NE2 3.17Å; L1170-Q1174 WeakPolarHBondContact O-CB 3.49Å; L1170-Q1174 PolarHBondContact O-N 2.98Å; A1171-Q1174 PolarHBondContact O-N 2.79Å; Q1174-H1176 VanDerWaalsContact C-N 3.29Å; Q1174-H1176 PolarHBondContact O-N 2.82Å; Q1174-M1177 PolarHBondContact O-N 3.42Å; Q1174-E1178 PolarHBondContact NE2-OE1 2.63Å; Q1174-E1178 WeakPolarHBondContact O-CB 3.43Å; Q1174-E1178 WeakPolarHBondContact O-CG 3.48Å; Q1174-E1178 PolarHBondContact O-N 2.82Å |
| 1175 | C | 49.7 | Very low | 47.3 | Very low | 19 Ų | 19 | 62.3 Ų | 62.3 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 175.3 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | A1171 A1179 | A1171-C1175 WeakPolarHBondContact O-CB 3.49Å; A1171-C1175 PolarHBondContact O-N 2.57Å; A1171-C1175 PolarHBondContact O-SG 3.16Å; A1171-C1175 VanDerWaalsContact O-SG 3.35Å; C1175-A1179 WeakPolarHBondContact O-CB 3.26Å; C1175-A1179 PolarHBondContact O-N 2.91Å |
| 1176 | H | 53.1 | Low | 46.1 | Very low | 58 Ų | 58 | 67 Ų | 67 | 27% | 0.269 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 175.6 | -173.1 | 75.2 | 0 | 0 | 0 | 111.8 | L1172 Q1173 Q1174 E1178 A1179 L1180 | L1172-H1176 VanDerWaalsContact O-CB 3.27Å; L1172-H1176 WeakPolarHBondContact O-CB 3.16Å; L1172-H1176 PolarHBondContact O-N 3.18Å; Q1173-H1176 PolarHBondContact O-N 2.77Å; Q1174-H1176 VanDerWaalsContact C-N 3.29Å; Q1174-H1176 PolarHBondContact O-N 2.82Å; H1176-E1178 PolarHBondContact O-N 2.91Å; H1176-A1179 PolarHBondContact O-N 3.5Å; H1176-L1180 WeakPolarHBondContact O-CB 3.16Å; H1176-L1180 WeakPolarHBondContact O-CG 3.46Å; H1176-L1180 PolarHBondContact O-N 2.87Å |
| 1177 | M | 51.4 | Low | 44.6 | Very low | 102 Ų | 102 | 68 Ų | 68 | 50% | 0.502 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.1 | -35.7 | 176.3 | -74.7 | -69.1 | -74.6 | 0 | 0 | 112.7 | Q1173 Q1174 N1181 | Q1173-M1177 WeakPolarHBondContact O-CB 3.31Å; Q1173-M1177 VanDerWaalsContact O-CG 3.27Å; Q1173-M1177 WeakPolarHBondContact O-CG 3.35Å; Q1173-M1177 PolarHBondContact O-N 3.4Å; Q1174-M1177 PolarHBondContact O-N 3.42Å; M1177-N1181 WeakPolarHBondContact O-CB 3.41Å; M1177-N1181 PolarHBondContact O-N 2.79Å; M1177-N1181 PolarHBondContact O-ND2 2.8Å |
| 1178 | E | 48.6 | Very low | 43.3 | Very low | 11 Ų | 11 | 72.9 Ų | 72.9 | 5% | 0.051 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.4 | -45.2 | 175.1 | -74.1 | -179.6 | -173.9 | 0 | 0 | 111.5 | R1094 Q1174 H1176 L1180 N1181 F1182 | R1094-E1178 IonicContact CZ-OE1 3.19Å; R1094-E1178 IonicContact NE-OE1 3.14Å; R1094-E1178 PolarHBondContact NE-OE1 3.28Å; R1094-E1178 IonicContact NH2-OE1 2.76Å; R1094-E1178 PolarHBondContact NH2-OE1 3.39Å; Q1174-E1178 PolarHBondContact NE2-OE1 2.63Å; Q1174-E1178 WeakPolarHBondContact O-CB 3.43Å; Q1174-E1178 WeakPolarHBondContact O-CG 3.48Å; Q1174-E1178 PolarHBondContact O-N 2.82Å; H1176-E1178 PolarHBondContact O-N 2.91Å; E1178-L1180 VanDerWaalsContact C-N 3.27Å; E1178-L1180 PolarHBondContact O-N 3.41Å; E1178-N1181 PolarHBondContact O-N 2.83Å; E1178-F1182 PolarHBondContact O-N 2.88Å |
| 1179 | A | 45.5 | Very low | 41.8 | Very low | 34 Ų | 34 | 79.2 Ų | 79.2 | 28% | 0.281 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.5 | -35.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C1175 H1176 V1183 | C1175-A1179 WeakPolarHBondContact O-CB 3.26Å; C1175-A1179 PolarHBondContact O-N 2.91Å; H1176-A1179 PolarHBondContact O-N 3.5Å; A1179-V1183 WeakPolarHBondContact O-CG2 3.5Å |
| 1180 | L | 42.1 | Very low | 40.2 | Very low | 95 Ų | 95 | 79.8 Ų | 79.8 | 50% | 0.497 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -75.5 | -37.9 | 175.2 | -73.1 | 174.6 | 0 | 0 | 0 | 113.6 | H1176 E1178 | H1176-L1180 WeakPolarHBondContact O-CB 3.16Å; H1176-L1180 WeakPolarHBondContact O-CG 3.46Å; H1176-L1180 PolarHBondContact O-N 2.87Å; E1178-L1180 VanDerWaalsContact C-N 3.27Å; E1178-L1180 PolarHBondContact O-N 3.41Å |
| 1181 | N | 37.9 | Very low | 38.6 | Very low | 80 Ų | 80 | 82.1 Ų | 82.1 | 43% | 0.428 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -77.8 | -33 | -176.6 | -79.4 | -58.1 | 0 | 0 | 0 | 113.3 | M1177 E1178 V1183 K1184 | M1177-N1181 WeakPolarHBondContact O-CB 3.41Å; M1177-N1181 PolarHBondContact O-N 2.79Å; M1177-N1181 PolarHBondContact O-ND2 2.8Å; E1178-N1181 PolarHBondContact O-N 2.83Å; N1181-V1183 PolarHBondContact O-N 3.34Å; N1181-V1183 VanDerWaalsContact O-N 3.12Å; N1181-K1184 PolarHBondContact O-N 3.39Å |
| 1182 | F | 38.5 | Very low | 37.3 | Very low | 56 Ų | 56 | 87.2 Ų | 87.2 | 25% | 0.246 | 47% | 0.468 | C | S | . | . | G | 310 helix | trans | -60.4 | -25.8 | 179.9 | -139.9 | -112 | 0 | 0 | 0 | 112.8 | L1091 E1178 K1184 C1185 Y1186 | L1091-F1182 HydrophobicContact CB-CD2 4.35Å; L1091-F1182 HydrophobicContact CB-CE2 3.82Å; L1091-F1182 HydrophobicContact CB-CZ 4.27Å; L1091-F1182 HydrophobicContact CD1-CB 4.35Å; L1091-F1182 HydrophobicContact CD1-CD1 4.23Å; L1091-F1182 HydrophobicContact CD1-CD2 3.56Å; L1091-F1182 HydrophobicContact CD1-CE1 4.41Å; L1091-F1182 HydrophobicContact CD1-CE2 3.78Å; L1091-F1182 HydrophobicContact CD1-CG 3.81Å; L1091-F1182 HydrophobicContact CD1-CZ 4.2Å; L1091-F1182 HydrophobicContact CG-CE2 4.44Å; E1178-F1182 PolarHBondContact O-N 2.88Å; F1182-K1184 PolarHBondContact O-N 3.49Å; F1182-K1184 VanDerWaalsContact O-N 3.11Å; F1182-C1185 PolarHBondContact O-N 3.13Å; F1182-Y1186 HydrophobicContact CD1-CD2 4.23Å; F1182-Y1186 HydrophobicContact CD1-CE2 4.34Å; F1182-Y1186 AromaticContact CE1-CD2 3.81Å; F1182-Y1186 HydrophobicContact CE1-CD2 3.81Å; F1182-Y1186 AromaticContact CE1-CE2 3.48Å; F1182-Y1186 HydrophobicContact CE1-CE2 3.48Å; F1182-Y1186 VanDerWaalsContact CE1-CE2 3.48Å; F1182-Y1186 HydrophobicContact CZ-CD2 4.34Å; F1182-Y1186 AromaticContact CZ-CE2 3.73Å; F1182-Y1186 HydrophobicContact CZ-CE2 3.73Å |
| 1183 | V | 30.7 | Very low | 35.9 | Very low | 86 Ų | 86 | 94.9 Ų | 94.9 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -61.6 | -15.4 | 175.7 | -178 | 0 | 0 | 0 | 0 | 113.5 | A1179 N1181 | A1179-V1183 WeakPolarHBondContact O-CG2 3.5Å; N1181-V1183 PolarHBondContact O-N 3.34Å; N1181-V1183 VanDerWaalsContact O-N 3.12Å |
| 1184 | K | 25.8 | Very low | 34.3 | Very low | 172 Ų | 172 | 98.6 Ų | 98.6 | 75% | 0.748 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -99.2 | -8.3 | 178.9 | -69.1 | 178.1 | -179.8 | 168.1 | 0 | 115.1 | N1181 F1182 | N1181-K1184 PolarHBondContact O-N 3.39Å; F1182-K1184 PolarHBondContact O-N 3.49Å; F1182-K1184 VanDerWaalsContact O-N 3.11Å |
| 1185 | C | 25.4 | Very low | 33 | Very low | 97 Ų | 97 | 107 Ų | 107 | 66% | 0.655 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -0.2 | -164.7 | -65.6 | 0 | 0 | 0 | 0 | 115.3 | F1182 | F1182-C1185 PolarHBondContact O-N 3.13Š|
| 1186 | Y | 26.5 | Very low | 31.8 | Very low | 138 Ų | 138 | 112 Ų | 112 | 54% | 0.541 | 59% | 0.593 | S | S | . | * | trans | -106.9 | 113.4 | 169.2 | -96.3 | -93.2 | 0 | 0 | 0 | 110.6 | F1182 L1188 | F1182-Y1186 HydrophobicContact CD1-CD2 4.23Å; F1182-Y1186 HydrophobicContact CD1-CE2 4.34Å; F1182-Y1186 AromaticContact CE1-CD2 3.81Å; F1182-Y1186 HydrophobicContact CE1-CD2 3.81Å; F1182-Y1186 AromaticContact CE1-CE2 3.48Å; F1182-Y1186 HydrophobicContact CE1-CE2 3.48Å; F1182-Y1186 VanDerWaalsContact CE1-CE2 3.48Å; F1182-Y1186 HydrophobicContact CZ-CD2 4.34Å; F1182-Y1186 AromaticContact CZ-CE2 3.73Å; F1182-Y1186 HydrophobicContact CZ-CE2 3.73Å; Y1186-L1188 PolarHBondContact O-N 2.8Å | ||
| 1187 | P | 24.2 | Very low | 30.7 | Very low | 100 Ų | 100 | 114.9 Ų | 114.9 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | trans | -63.1 | 132 | 160.4 | -11.7 | 26.6 | 0 | 0 | 0 | 108.6 | N1189 | P1187-N1189 PolarHBondContact O-N 3.4Å; P1187-N1189 VanDerWaalsContact O-N 3.12Å | ||
| 1188 | L | 24.3 | Very low | 29.3 | Very low | 146 Ų | 146 | 121.1 Ų | 121.1 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | trans | -65.1 | 109.7 | 156.3 | -79.2 | 162.6 | 0 | 0 | 0 | 106.5 | Y1186 T1190 | Y1186-L1188 PolarHBondContact O-N 2.8Å; L1188-T1190 PolarHBondContact O-N 3.4Å | ||
| 1189 | N | 23.8 | Very low | 28.3 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -66.2 | 82.3 | 177.3 | -99.1 | 0.1 | 0 | 0 | 0 | 110.7 | P1187 | P1187-N1189 PolarHBondContact O-N 3.4Å; P1187-N1189 VanDerWaalsContact O-N 3.12Å |
| 1190 | T | 22.3 | Very low | 27.2 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 44% | 0.442 | 68% | 0.682 | S | S | . | * | trans | -161.2 | 65.1 | 174 | 21.6 | 0 | 0 | 0 | 0 | 107.1 | R1056 L1188 | R1056-T1190 VanDerWaalsContact CZ-CG2 3.43Å; R1056-T1190 VanDerWaalsContact NH1-CG2 3.28Å; R1056-T1190 PolarHBondContact NH2-OG1 3.26Å; L1188-T1190 PolarHBondContact O-N 3.4Å | ||
| 1191 | D | 24.2 | Very low | 26.4 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -170.5 | 160.4 | 145.2 | -97.2 | -30 | 0 | 0 | 0 | 111 | ||
| 1192 | S | 24.8 | Very low | 25.7 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | trans | 71.3 | 51.8 | 165.1 | 73.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1193 | I | 24 | Very low | 25.1 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 88% | 0.877 | 72% | 0.718 | S | S | * | * | trans | -121.3 | 75.8 | 145 | -51.8 | -177.8 | 0 | 0 | 0 | 110.3 | ||||
| 1194 | N | 23.2 | Very low | 24.8 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | -160.4 | 64.2 | 158.2 | -129.1 | -10.1 | 0 | 0 | 0 | 113.4 | ||||
| 1195 | R | 27.2 | Very low | 24.7 | Very low | 252 Ų | 252 | 140 Ų | 140 | 95% | 0.951 | 73% | 0.726 | S | S | * | * | trans | -163.9 | 102.1 | 163.3 | -107.4 | 160.7 | -156 | -118.1 | -0.1 | 110.2 | ||||
| 1196 | S | 24.9 | Very low | 24.7 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | -70.4 | 150.5 | 177.2 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1197 | P | 28.9 | Very low | 24.6 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | trans | -85 | 141.4 | -165.9 | 32.6 | -36.3 | 0 | 0 | 0 | 113.9 | ||||
| 1198 | R | 23.3 | Very low | 24.6 | Very low | 233 Ų | 233 | 141.7 Ų | 141.7 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | -173.8 | 89.9 | 155 | -107 | 164.2 | -162.5 | -178 | 6.6 | 112.5 | ||||
| 1199 | H | 27 | Very low | 24.7 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | 170.1 | 132.8 | 111.1 | -101.4 | -76.9 | 0 | 0 | 0 | 112.2 | |||||
| 1200 | D | 22.2 | Very low | 24.8 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 52% | 0.524 | 76% | 0.757 | S | S | . | * | trans | -60.6 | 145.8 | 162.1 | -60.3 | -89.2 | 0 | 0 | 0 | 111.9 | M1625 | D1200-M1625 HydrophobicContact CB-CE 3.79Å; D1200-M1625 HydrophobicContact CB-SD 3.83Å; D1200-M1625 VanDerWaalsContact OD1-CE 3.32Å; D1200-M1625 WeakPolarHBondContact OD1-CE 3.31Å | ||
| 1201 | I | 24.9 | Very low | 25 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 80% | 0.795 | 77% | 0.767 | S | S | * | * | -162.7 | 104.7 | 117.7 | -95.1 | 149.1 | 0 | 0 | 0 | 110.3 | |||||
| 1202 | N | 24 | Very low | 25.1 | Very low | 83 Ų | 83 | 142.8 Ų | 142.8 | 44% | 0.444 | 77% | 0.765 | S | S | . | * | trans | 34.2 | 115.8 | 148.2 | -66.2 | -77.9 | 0 | 0 | 0 | 122.3 | M1625 | N1202-M1625 PolarHBondContact ND2-SD 2.79Š| ||
| 1203 | R | 25.1 | Very low | 25.1 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 68% | 0.683 | 76% | 0.763 | S | S | * | * | 78.1 | 150.4 | 121.7 | -72 | -174.9 | -179.6 | 172.1 | 4 | 119.6 | |||||
| 1204 | S | 23.7 | Very low | 25.2 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | cis | -168.1 | 166.9 | -7.7 | 43 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1205 | N | 24.3 | Very low | 25.4 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | 86.7 | 140.1 | 169.6 | -46.4 | -31 | 0 | 0 | 0 | 113.7 | ||||
| 1206 | S | 26.1 | Very low | 25.4 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | cis | -134.6 | 163.8 | 14.9 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1207 | P | 23.9 | Very low | 25.7 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | -121.6 | 101.5 | -159 | 35.8 | -18.3 | 0 | 0 | 0 | 114.2 | ||||
| 1208 | L | 24.7 | Very low | 25.8 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -140 | -13.9 | 172.5 | -83.7 | 177.3 | 0 | 0 | 0 | 116.2 | ||
| 1209 | L | 26.2 | Very low | 26.2 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 94% | 0.942 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -99.9 | -4.8 | -174.1 | -134.9 | 72.2 | 0 | 0 | 0 | 115.1 | ||
| 1210 | S | 26.7 | Very low | 26.3 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -114.1 | 28.7 | -176.8 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1211 | A | 26.4 | Very low | 26.8 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -141.4 | 16.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1212 | M | 25.4 | Very low | 27 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 80% | 0.798 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -120.5 | 18.9 | 176 | -63.6 | -168.8 | 71.6 | 0 | 0 | 112.5 | ||
| 1213 | C | 26 | Very low | 27.4 | Very low | 111 Ų | 111 | 126 Ų | 126 | 75% | 0.75 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -114.3 | 143.6 | 160.3 | -63.7 | 0 | 0 | 0 | 0 | 107 | ||
| 1214 | D | 24.4 | Very low | 27.6 | Very low | 161 Ų | 161 | 125.1 Ų | 125.1 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 67.2 | 52.3 | 177.3 | -53 | -22 | 0 | 0 | 0 | 117.4 | ||
| 1215 | S | 27.4 | Very low | 27.9 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -162.1 | 130.7 | 143.1 | -8.3 | 0 | 0 | 0 | 0 | 114.5 | E1217 | S1215-E1217 PolarHBondContact O-N 3.44Š|
| 1216 | D | 28.1 | Very low | 28.2 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | trans | 53.5 | 36.4 | 139.8 | -50.7 | -9.6 | 0 | 0 | 0 | 121.8 | E1218 | D1216-E1218 VanDerWaalsContact C-N 3.28Å; D1216-E1218 PolarHBondContact O-N 3.13Å | ||
| 1217 | E | 30.3 | Very low | 28.2 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 62% | 0.617 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -5.5 | 177.5 | -76.8 | -148.2 | 131.5 | 0 | 0 | 116.8 | S1215 N1219 L1220 | S1215-E1217 PolarHBondContact O-N 3.44Å; E1217-N1219 PolarHBondContact O-N 2.84Å; E1217-L1220 PolarHBondContact O-N 3.24Å |
| 1218 | E | 31.2 | Very low | 28.2 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -60.2 | -19.9 | -175.5 | -66.8 | -168.6 | 145.8 | 0 | 0 | 114.4 | D1216 | D1216-E1218 VanDerWaalsContact C-N 3.28Å; D1216-E1218 PolarHBondContact O-N 3.13Å |
| 1219 | N | 31.8 | Very low | 28.2 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 66% | 0.658 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -89.5 | -10.9 | -178.6 | -67.7 | -75.3 | 0 | 0 | 0 | 115.2 | E1217 T1223 | E1217-N1219 PolarHBondContact O-N 2.84Å; N1219-T1223 PolarHBondContact O-OG1 3.34Å |
| 1220 | L | 30.5 | Very low | 28.1 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 57% | 0.571 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -86.3 | -23.4 | -173.5 | -87.1 | 165.9 | 0 | 0 | 0 | 114.3 | E1217 T1223 | E1217-L1220 PolarHBondContact O-N 3.24Å; L1220-T1223 PolarHBondContact O-OG1 3.34Å |
| 1221 | V | 31.5 | Very low | 28 | Very low | 74 Ų | 74 | 134.5 Ų | 134.5 | 45% | 0.448 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -76.7 | -44.5 | 176 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | T1223 F1224 F1225 | V1221-T1223 VanDerWaalsContact C-N 3.3Å; V1221-T1223 PolarHBondContact O-N 2.76Å; V1221-F1224 WeakPolarHBondContact O-CB 3.44Å; V1221-F1224 PolarHBondContact O-N 2.86Å; V1221-F1225 HydrophobicContact CG1-CD2 3.99Å; V1221-F1225 HydrophobicContact CG1-CE2 3.98Å; V1221-F1225 WeakPolarHBondContact O-CD2 3.25Å; V1221-F1225 PolarHBondContact O-N 3.04Å |
| 1222 | D | 29.7 | Very low | 27.9 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 54% | 0.54 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -60 | -37.7 | 178.5 | -102.3 | 3.2 | 0 | 0 | 0 | 112.7 | F1224 F1225 Q1226 | D1222-F1224 VanDerWaalsContact C-N 3.27Å; D1222-F1224 PolarHBondContact O-N 3.42Å; D1222-F1225 PolarHBondContact O-N 2.99Å; D1222-Q1226 WeakPolarHBondContact O-CB 3.07Å; D1222-Q1226 WeakPolarHBondContact O-CG 3.2Å; D1222-Q1226 PolarHBondContact O-N 2.82Å; D1222-Q1226 PolarHBondContact O-NE2 3.16Å |
| 1223 | T | 32.6 | Very low | 27.9 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 53% | 0.534 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -70.3 | -21.3 | 175.9 | 30 | 0 | 0 | 0 | 0 | 113.7 | N1219 L1220 V1221 | N1219-T1223 PolarHBondContact O-OG1 3.34Å; L1220-T1223 PolarHBondContact O-OG1 3.34Å; V1221-T1223 VanDerWaalsContact C-N 3.3Å; V1221-T1223 PolarHBondContact O-N 2.76Å |
| 1224 | F | 29.4 | Very low | 27.7 | Very low | 164 Ų | 164 | 136.5 Ų | 136.5 | 72% | 0.719 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -83 | -22.8 | 178.3 | -127.2 | -85.8 | 0 | 0 | 0 | 113.6 | V1221 D1222 | V1221-F1224 WeakPolarHBondContact O-CB 3.44Å; V1221-F1224 PolarHBondContact O-N 2.86Å; D1222-F1224 VanDerWaalsContact C-N 3.27Å; D1222-F1224 PolarHBondContact O-N 3.42Å |
| 1225 | F | 29.6 | Very low | 27.7 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 61% | 0.605 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -103.7 | -3.5 | 179.9 | -74.1 | -76.3 | 0 | 0 | 0 | 114.6 | A1101 V1221 D1222 | A1101-F1225 HydrophobicContact CB-CZ 4.39Å; V1221-F1225 HydrophobicContact CG1-CD2 3.99Å; V1221-F1225 HydrophobicContact CG1-CE2 3.98Å; V1221-F1225 WeakPolarHBondContact O-CD2 3.25Å; V1221-F1225 PolarHBondContact O-N 3.04Å; D1222-F1225 PolarHBondContact O-N 2.99Å |
| 1226 | Q | 29.7 | Very low | 27.5 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | trans | -94.8 | -0.1 | -178.4 | -75 | 174.3 | 32.9 | 0 | 0 | 115.2 | D1222 D1228 | D1222-Q1226 WeakPolarHBondContact O-CB 3.07Å; D1222-Q1226 WeakPolarHBondContact O-CG 3.2Å; D1222-Q1226 PolarHBondContact O-N 2.82Å; D1222-Q1226 PolarHBondContact O-NE2 3.16Å; Q1226-D1228 PolarHBondContact O-N 3.37Å | ||
| 1227 | T | 27.1 | Very low | 27.4 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | -83.6 | 51.3 | -178.9 | 41.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1228 | D | 23.2 | Very low | 27.1 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | -72.1 | 148.1 | -177.8 | -158.2 | 3.5 | 0 | 0 | 0 | 112.8 | Q1226 | Q1226-D1228 PolarHBondContact O-N 3.37Š| ||
| 1229 | N | 24.6 | Very low | 26.7 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | 58.3 | 81.7 | 172 | -63.7 | -79.2 | 0 | 0 | 0 | 119.8 | ||||
| 1230 | R | 25.1 | Very low | 26.4 | Very low | 250 Ų | 250 | 134.5 Ų | 134.5 | 94% | 0.943 | 72% | 0.722 | S | S | * | * | trans | -162.9 | 145.5 | 134.6 | -106.8 | 149.1 | -162.1 | -115.5 | -1.1 | 113.8 | ||||
| 1231 | Q | 24.5 | Very low | 26 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | trans | -85.6 | 130.7 | -177.7 | -63.7 | 168 | -31.4 | 0 | 0 | 111.4 | ||||
| 1232 | I | 24.8 | Very low | 25.6 | Very low | 143 Ų | 143 | 137 Ų | 137 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | -137.3 | 136.6 | 165.1 | -59.2 | -177.1 | 0 | 0 | 0 | 108.3 | ||||
| 1233 | P | 23.4 | Very low | 25.2 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -73.7 | 166.6 | -175.8 | -18.2 | 33.3 | 0 | 0 | 0 | 115.2 | ||||
| 1234 | T | 22.5 | Very low | 24.8 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -68 | 146.9 | 174.6 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1235 | A | 24.4 | Very low | 24.5 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 73.8 | 65.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1236 | D | 24.1 | Very low | 24.4 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -174.7 | 76.2 | 137 | -97.5 | -20.9 | 0 | 0 | 0 | 111.1 | ||||
| 1237 | L | 24.8 | Very low | 24 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -133.9 | 61.8 | 178.4 | -74 | 177.5 | 0 | 0 | 0 | 113 | ||||
| 1238 | L | 23.6 | Very low | 23.9 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -126.7 | 85.6 | 157.7 | -91.3 | 170.1 | 0 | 0 | 0 | 109.3 | S1240 | L1238-S1240 PolarHBondContact O-N 2.83Š| ||
| 1239 | P | 24.8 | Very low | 23.9 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | trans | -89.2 | 108.8 | -177.3 | -1.2 | 21.1 | 0 | 0 | 0 | 111.5 | ||||
| 1240 | S | 24.2 | Very low | 23.9 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -66.3 | 143.9 | 159.9 | -55.7 | 0 | 0 | 0 | 0 | 110.1 | L1238 | L1238-S1240 PolarHBondContact O-N 2.83Š| ||
| 1241 | C | 23 | Very low | 23.9 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -138.5 | 142.8 | 166.5 | -87.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1242 | S | 22.1 | Very low | 23.9 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -156.1 | 176.2 | -174.3 | 56 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1243 | V | 22.4 | Very low | 23.8 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | trans | 74.5 | 119 | 171.6 | -154 | 0 | 0 | 0 | 0 | 117 | ||||
| 1244 | V | 24.2 | Very low | 23.9 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | 156.3 | 117.8 | 121.6 | 168.8 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 1245 | G | 23.2 | Very low | 24.6 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -114.7 | -173.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1246 | S | 26.1 | Very low | 24.7 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -160.8 | 107.3 | 162.2 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1247 | N | 22.8 | Very low | 24.7 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | 53 | 133.3 | 137.3 | -56.5 | -7.6 | 0 | 0 | 0 | 123.2 | ||||
| 1248 | N | 24.6 | Very low | 24.8 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 89.9 | 84.9 | 140.8 | -62.6 | -2.7 | 0 | 0 | 0 | 123.2 | ||||
| 1249 | S | 23.7 | Very low | 25 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | 73.7 | 152.1 | 108.9 | 68.9 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 1250 | F | 23.9 | Very low | 25.1 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 77% | 0.768 | 75% | 0.751 | S | S | * | * | trans | 73.4 | 115.2 | 172.1 | -64.7 | -81.5 | 0 | 0 | 0 | 117.3 | ||||
| 1251 | V | 24.9 | Very low | 25.2 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | cis | 86.6 | 126.8 | 21.8 | -164.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1252 | I | 23.6 | Very low | 25.2 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 67% | 0.672 | 74% | 0.737 | S | S | * | * | 168.7 | 111.9 | 123.2 | -83.2 | 173.4 | 0 | 0 | 0 | 114.9 | |||||
| 1253 | Q | 23.8 | Very low | 25.3 | Very low | 180 Ų | 180 | 129 Ų | 129 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | trans | 67.5 | 165.4 | 134.9 | -61.9 | 179.2 | -26.1 | 0 | 0 | 126.9 | ||||
| 1254 | S | 24.9 | Very low | 25.4 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -139.1 | -115.6 | -150.7 | -49.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1255 | P | 38.1 | Very low | 25.3 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | -136.7 | -145.3 | -115.5 | 42.4 | -20.4 | 0 | 0 | 0 | 118.7 | |||||
| 1256 | L | 25.2 | Very low | 25.3 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 80% | 0.801 | 73% | 0.73 | S | S | * | * | trans | 92.9 | 163 | 170.9 | -47.6 | 174.4 | 0 | 0 | 0 | 116.7 | ||||
| 1257 | I | 25.6 | Very low | 25.2 | Very low | 132 Ų | 132 | 135 Ų | 135 | 68% | 0.677 | 73% | 0.734 | S | S | * | * | cis | -160.9 | 154.6 | 6.3 | -144 | 169.4 | 0 | 0 | 0 | 114.4 | ||||
| 1258 | N | 26.5 | Very low | 25.4 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 56% | 0.561 | 73% | 0.731 | S | S | * | * | trans | 56.4 | 171.7 | 155.8 | -69.3 | -1.1 | 0 | 0 | 0 | 122.6 | ||||
| 1259 | Q | 27.8 | Very low | 25.2 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | cis | -175.3 | 174.1 | -23.8 | -95.5 | 169.7 | -28.2 | 0 | 0 | 108.4 | ||||
| 1260 | A | 27 | Very low | 25.2 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | cis | -174.2 | 168.1 | -31.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1261 | N | 24.8 | Very low | 25 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | 71.6 | 121.9 | 155.2 | -73.6 | 34 | 0 | 0 | 0 | 127.9 | ||||
| 1262 | E | 23.8 | Very low | 24.8 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | 99 | 115.7 | 123.4 | -78.2 | -179.1 | -106.9 | 0 | 0 | 127.5 | |||||
| 1263 | N | 24 | Very low | 24.7 | Very low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | 94.1 | 137.1 | 125.8 | -65.7 | -14.8 | 0 | 0 | 0 | 127.2 | |||||
| 1264 | S | 24.9 | Very low | 24.6 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | 70.7 | 124.7 | 153.7 | -61.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1265 | L | 21.2 | Very low | 24.5 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | cis | 98 | 101 | 41.9 | -84.3 | 168.1 | 0 | 0 | 0 | 114.8 | ||||
| 1266 | N | 23.5 | Very low | 23.7 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | 157.6 | 126.4 | 119.5 | -84.2 | -45.1 | 0 | 0 | 0 | 117.3 | |||||
| 1267 | Q | 24.1 | Very low | 23.6 | Very low | 180 Ų | 180 | 136.6 Ų | 136.6 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | trans | 64 | 150.9 | 145.5 | -66.3 | -169.8 | -14.4 | 0 | 0 | 123.4 | ||||
| 1268 | P | 28 | Very low | 23.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | trans | -114.5 | 169.4 | -173.9 | 43.2 | -33.8 | 0 | 0 | 0 | 115 | ||||
| 1269 | F | 21 | Very low | 23.8 | Very low | 212 Ų | 212 | 138.8 Ų | 138.8 | 93% | 0.93 | 75% | 0.746 | S | S | * | * | trans | -169.9 | 162.9 | 133 | -106.5 | -68.2 | 0 | 0 | 0 | 111.1 | ||||
| 1270 | A | 21.8 | Very low | 23.7 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | trans | -76.9 | 156.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1271 | I | 21.2 | Very low | 23.5 | Very low | 154 Ų | 154 | 140 Ų | 140 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | -179.5 | 139.4 | 128.1 | -94.8 | 156.6 | 0 | 0 | 0 | 111.8 | |||||
| 1272 | E | 20.5 | Very low | 23.5 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | 35.5 | 124 | 158.4 | -65.8 | -178 | 117.9 | 0 | 0 | 123.8 | ||||
| 1273 | N | 21.4 | Very low | 23.4 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | 62.8 | 126 | 129.2 | -69.8 | -40.7 | 0 | 0 | 0 | 122.7 | |||||
| 1274 | Q | 21.5 | Very low | 23.3 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | 86.1 | 145.1 | 151.6 | -61.9 | 172.1 | 15.8 | 0 | 0 | 121 | ||||
| 1275 | F | 21.7 | Very low | 23.2 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | 80.5 | 151.5 | 162.3 | -70.2 | -68.5 | 0 | 0 | 0 | 121.4 | ||||
| 1276 | I | 21.4 | Very low | 23.3 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 56% | 0.559 | 77% | 0.773 | S | S | * | * | trans | -113.7 | 138.3 | -164.2 | -56.3 | 97.9 | 0 | 0 | 0 | 109.6 | L1063 I1064 | L1063-I1276 HydrophobicContact CD2-CG1 4.01Å; I1064-I1276 HydrophobicContact CD1-CD1 3.42Å; I1064-I1276 VanDerWaalsContact CD1-CD1 3.42Å; I1064-I1276 HydrophobicContact CD1-CG1 3.91Å | ||
| 1277 | A | 23 | Very low | 23.2 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -177.7 | 144.1 | 141.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1278 | E | 30.3 | Very low | 23.2 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 73% | 0.729 | 77% | 0.765 | S | S | * | * | trans | -70.9 | 174.5 | 157.8 | -53 | -174.6 | 156.7 | 0 | 0 | 110.7 | N1280 | E1278-N1280 PolarHBondContact OE2-ND2 2.9Å; E1278-N1280 VanDerWaalsContact OE2-ND2 3.12Å | ||
| 1279 | P | 27.5 | Very low | 23.1 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | -146.8 | 158.3 | 89.8 | 38 | -21.7 | 0 | 0 | 0 | 116.7 | |||||
| 1280 | N | 24.2 | Very low | 23.2 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | trans | -59.6 | 146.4 | 168.9 | -70.1 | -92.2 | 0 | 0 | 0 | 113.6 | E1278 | E1278-N1280 PolarHBondContact OE2-ND2 2.9Å; E1278-N1280 VanDerWaalsContact OE2-ND2 3.12Å | ||
| 1281 | N | 23.8 | Very low | 23.5 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | 149.7 | 116.3 | 121.7 | -85.2 | -77.5 | 0 | 0 | 0 | 112.7 | |||||
| 1282 | L | 24.4 | Very low | 23.7 | Very low | 178 Ų | 178 | 140.2 Ų | 140.2 | 93% | 0.932 | 73% | 0.726 | S | S | * | * | trans | -158.2 | 143.2 | 139.5 | -112.3 | 165.3 | 0 | 0 | 0 | 111 | ||||
| 1283 | R | 21.4 | Very low | 23.9 | Very low | 220 Ų | 220 | 136.5 Ų | 136.5 | 83% | 0.83 | 72% | 0.723 | S | S | * | * | trans | -84.4 | 158 | -162.9 | -70.3 | 166.8 | 163.8 | 170.3 | -8.1 | 114.1 | ||||
| 1284 | N | 23.1 | Very low | 24.1 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 34.5 | 140.6 | 137.4 | -55.9 | 11.3 | 0 | 0 | 0 | 120.7 | ||
| 1285 | N | 22.8 | Very low | 24.2 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | 65.1 | 92.8 | 169.3 | -60 | 10.9 | 0 | 0 | 0 | 115.3 | ||||
| 1286 | M | 21.7 | Very low | 24.3 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 84% | 0.842 | 72% | 0.718 | S | S | * | * | trans | -152.5 | 163 | 145.5 | -104.5 | -66.6 | 151.1 | 0 | 0 | 109.5 | ||||
| 1287 | S | 22.8 | Very low | 24.4 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 54% | 0.538 | 72% | 0.722 | S | S | . | * | trans | -74.1 | 175.5 | -163.6 | 43.3 | 0 | 0 | 0 | 0 | 116.3 | S1289 | S1287-S1289 PolarHBondContact O-N 3.49Å; S1287-S1289 PolarHBondContact O-OG 3.1Å; S1287-S1289 PolarHBondContact OG-OG 3.08Å | ||
| 1288 | L | 24.1 | Very low | 24.6 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 89% | 0.89 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | 3.7 | 173 | -123.1 | 71.6 | 0 | 0 | 0 | 116.2 | ||
| 1289 | S | 25.3 | Very low | 24.7 | Very low | 56 Ų | 56 | 127.8 Ų | 127.8 | 39% | 0.392 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | -11 | -168 | 48.1 | 0 | 0 | 0 | 0 | 115.2 | S1287 Y1292 | S1287-S1289 PolarHBondContact O-N 3.49Å; S1287-S1289 PolarHBondContact O-OG 3.1Å; S1287-S1289 PolarHBondContact OG-OG 3.08Å; S1289-Y1292 WeakPolarHBondContact O-CD2 3.38Å |
| 1290 | N | 24.4 | Very low | 25 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 59% | 0.594 | 69% | 0.685 | S | S | * | * | trans | -96.9 | -2.5 | -170.3 | -72.2 | 11.6 | 0 | 0 | 0 | 115 | Y1292 A1293 | N1290-Y1292 PolarHBondContact O-N 3.38Å; N1290-A1293 WeakPolarHBondContact O-CB 3.22Å; N1290-A1293 PolarHBondContact O-N 2.87Å; N1290-A1293 VanDerWaalsContact O-N 3.1Å | ||
| 1291 | V | 27.2 | Very low | 25.6 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -61.3 | -30.6 | 172.4 | -177 | 0 | 0 | 0 | 0 | 111 | A1293 L1294 | V1291-A1293 PolarHBondContact O-N 3.41Å; V1291-L1294 PolarHBondContact O-N 2.79Å |
| 1292 | Y | 24.8 | Very low | 26.5 | Very low | 167 Ų | 167 | 121.9 Ų | 121.9 | 66% | 0.655 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -61.9 | -11.3 | 174.6 | -65.1 | -80.6 | 0 | 0 | 0 | 114.9 | S1289 N1290 | S1289-Y1292 WeakPolarHBondContact O-CD2 3.38Å; N1290-Y1292 PolarHBondContact O-N 3.38Å |
| 1293 | A | 25.5 | Very low | 27.1 | Very low | 82 Ų | 82 | 118.2 Ų | 118.2 | 68% | 0.678 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -85 | -3.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1290 V1291 | N1290-A1293 WeakPolarHBondContact O-CB 3.22Å; N1290-A1293 PolarHBondContact O-N 2.87Å; N1290-A1293 VanDerWaalsContact O-N 3.1Å; V1291-A1293 PolarHBondContact O-N 3.41Å |
| 1294 | L | 24.4 | Very low | 28 | Very low | 162 Ų | 162 | 113.6 Ų | 113.6 | 85% | 0.848 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -109.2 | 7.1 | 177 | -69 | 175.9 | 0 | 0 | 0 | 114 | V1291 | V1291-L1294 PolarHBondContact O-N 2.79Š|
| 1295 | L | 23.7 | Very low | 28.7 | Very low | 120 Ų | 120 | 112.8 Ų | 112.8 | 63% | 0.628 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -63 | 137.7 | 162.7 | -89.2 | 76.5 | 0 | 0 | 0 | 109.5 | ||
| 1296 | P | 24.1 | Very low | 29.8 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | trans | -54.1 | 137.4 | 162.5 | -23.7 | 34.3 | 0 | 0 | 0 | 110.3 | T1298 | P1296-T1298 PolarHBondContact O-N 2.8Š| ||
| 1297 | P | 24.9 | Very low | 31.3 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -67.8 | 101.3 | -176.1 | 27.6 | -34.5 | 0 | 0 | 0 | 110.7 | ||
| 1298 | T | 26.2 | Very low | 33.2 | Very low | 94 Ų | 94 | 108.6 Ų | 108.6 | 58% | 0.577 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.9 | 149.2 | 179.5 | 72.1 | 0 | 0 | 0 | 0 | 116.6 | P1296 D1300 | P1296-T1298 PolarHBondContact O-N 2.8Å; T1298-D1300 PolarHBondContact O-N 3.06Å |
| 1299 | L | 33 | Very low | 35.4 | Very low | 71 Ų | 71 | 100.5 Ų | 100.5 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 26.6 | 176.2 | -163.9 | 66.9 | 0 | 0 | 0 | 112.3 | I1302 K1378 L1381 | L1299-I1302 HydrophobicContact CD1-CD1 4.22Å; L1299-K1378 HydrophobicContact CD2-CD 4.43Å; L1299-K1378 HydrophobicContact CD2-CG 3.63Å; L1299-K1378 HydrophobicContact CG-CG 4.26Å; L1299-K1378 VanDerWaalsContact O-CE 3.29Å; L1299-K1378 WeakPolarHBondContact O-CE 3.49Å; L1299-L1381 HydrophobicContact CD1-CD2 3.76Å; L1299-L1381 HydrophobicContact CD2-CD2 3.96Å; L1299-L1381 HydrophobicContact CG-CD2 4.43Å |
| 1300 | D | 33.7 | Very low | 37.4 | Very low | 113 Ų | 113 | 100.9 Ų | 100.9 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | -27.7 | -175.1 | -73.6 | -76.8 | 0 | 0 | 0 | 111.5 | T1298 I1302 K1378 | T1298-D1300 PolarHBondContact O-N 3.06Å; D1300-I1302 PolarHBondContact O-N 3.45Å; D1300-I1302 VanDerWaalsContact O-N 3.14Å; D1300-K1378 IonicContact OD1-NZ 2.81Å; D1300-K1378 PolarHBondContact OD1-NZ 3.23Å; D1300-K1378 IonicContact OD2-NZ 3.02Å; D1300-K1378 PolarHBondContact OD2-NZ 2.85Å |
| 1301 | D | 36.5 | Very low | 39.4 | Very low | 110 Ų | 110 | 95.7 Ų | 95.7 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | trans | -83.6 | 30.3 | 177 | -68.2 | -20.8 | 0 | 0 | 0 | 113.6 | D1303 | D1301-D1303 PolarHBondContact O-N 3.12Å; D1301-D1303 VanDerWaalsContact O-N 3.12Å | ||
| 1302 | I | 41.5 | Very low | 41.3 | Very low | 53 Ų | 53 | 90.9 Ų | 90.9 | 27% | 0.272 | 47% | 0.473 | S | S | . | . | trans | -81.1 | 93.1 | 169.8 | -60.4 | 178.6 | 0 | 0 | 0 | 108.5 | L1299 D1300 V1365 L1367 | L1299-I1302 HydrophobicContact CD1-CD1 4.22Å; D1300-I1302 PolarHBondContact O-N 3.45Å; D1300-I1302 VanDerWaalsContact O-N 3.14Å; I1302-V1365 HydrophobicContact CD1-CG1 3.79Å; I1302-L1367 HydrophobicContact CD1-CD2 4.19Å | ||
| 1303 | D | 37.9 | Very low | 43.2 | Very low | 102 Ų | 102 | 83.8 Ų | 83.8 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | trans | -32.7 | 132.5 | -175.6 | -82.4 | -49.7 | 0 | 0 | 0 | 115.6 | D1301 E1305 W1306 | D1301-D1303 PolarHBondContact O-N 3.12Å; D1301-D1303 VanDerWaalsContact O-N 3.12Å; D1303-E1305 PolarHBondContact O-N 3.27Å; D1303-E1305 VanDerWaalsContact O-N 3.08Å; D1303-W1306 PolarHBondContact O-N 2.85Å | ||
| 1304 | L | 40 | Very low | 44.9 | Very low | 122 Ų | 122 | 86.1 Ų | 86.1 | 64% | 0.639 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -54.2 | -33.7 | -179.8 | -141.8 | 75.1 | 0 | 0 | 0 | 112.5 | W1306 R1307 E1308 | L1304-W1306 PolarHBondContact O-N 2.93Å; L1304-W1306 VanDerWaalsContact O-N 3.12Å; L1304-R1307 PolarHBondContact O-N 2.94Å; L1304-E1308 PolarHBondContact O-N 3.3Å |
| 1305 | E | 37.8 | Very low | 46.9 | Very low | 127 Ų | 127 | 83.9 Ų | 83.9 | 59% | 0.593 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -56.7 | -27 | 179.1 | -53 | -161.4 | 140.7 | 0 | 0 | 113.5 | D1303 R1317 | D1303-E1305 PolarHBondContact O-N 3.27Å; D1303-E1305 VanDerWaalsContact O-N 3.08Å; E1305-R1317 PolarHBondContact O-NH2 3Å |
| 1306 | W | 47.2 | Very low | 48.6 | Very low | 127 Ų | 127 | 82.7 Ų | 82.7 | 48% | 0.481 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -83 | -17 | -179.2 | -63 | 73.6 | 0 | 0 | 0 | 113.1 | D1303 L1304 R1317 | D1303-W1306 PolarHBondContact O-N 2.85Å; L1304-W1306 PolarHBondContact O-N 2.93Å; L1304-W1306 VanDerWaalsContact O-N 3.12Å; W1306-R1317 VanDerWaalsContact O-CD 3.31Å; W1306-R1317 WeakPolarHBondContact O-CD 3.22Å; W1306-R1317 VanDerWaalsContact O-CZ 3.26Å; W1306-R1317 PolarHBondContact O-NE 2.76Å; W1306-R1317 VanDerWaalsContact O-NE 3.17Å |
| 1307 | R | 53 | Low | 50.7 | Low | 136 Ų | 136 | 79.5 Ų | 79.5 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -34.3 | 175.6 | -61.8 | -175.7 | -179.5 | -136.4 | -0.4 | 112.5 | L1304 N1316 R1317 | L1304-R1307 PolarHBondContact O-N 2.94Å; R1307-N1316 CarbonylContact O-C 3.56Å; R1307-N1316 VanDerWaalsContact O-CA 3.23Å; R1307-N1316 WeakPolarHBondContact O-CA 3.46Å; R1307-R1317 WeakPolarHBondContact O-CG 3.25Å; R1307-R1317 PolarHBondContact O-N 3.34Å |
| 1308 | E | 62.9 | Low | 52.7 | Low | 38 Ų | 38 | 76.1 Ų | 76.1 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -77.6 | 143.3 | -173 | -65.5 | 174.6 | 153.6 | 0 | 0 | 113.5 | L1304 L1310 R1317 R1706 | L1304-E1308 PolarHBondContact O-N 3.3Å; E1308-L1310 PolarHBondContact O-N 3.14Å; E1308-R1317 WeakPolarHBondContact O-CG 3.38Å; E1308-R1317 PolarHBondContact O-NE 3.3Å; E1308-R1706 IonicContact OE1-NH1 3.26Å; E1308-R1706 PolarHBondContact OE1-NH1 2.62Å; E1308-R1706 IonicContact OE2-CZ 2.7Å; E1308-R1706 IonicContact OE2-NH1 2.69Å; E1308-R1706 PolarHBondContact OE2-NH1 2.71Å; E1308-R1706 IonicContact OE2-NH2 3.71Å; E1308-R1706 PolarHBondContact OE2-NH2 3.13Å |
| 1309 | C | 69 | Low | 54.9 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -59.5 | 127.4 | 173.5 | 173 | 0 | 0 | 0 | 0 | 111.9 | V1311 S1313 R1315 T1329 C1330 C1333 | C1309-V1311 PolarHBondContact O-N 2.85Å; C1309-S1313 VanDerWaalsContact O-CA 3.25Å; C1309-S1313 WeakPolarHBondContact O-CA 3.26Å; C1309-S1313 PolarHBondContact O-N 3.32Å; C1309-S1313 PolarHBondContact O-OG 2.76Å; C1309-R1315 WeakPolarHBondContact CB-O 3.5Å; C1309-R1315 PolarHBondContact N-O 3.11Å; C1309-T1329 VanDerWaalsContact SG-CA 3.57Å; C1309-C1330 HydrophobicContact CB-CB 4.01Å; C1309-C1330 PolarHBondContact SG-N 2.85Å; C1309-C1330 VanDerWaalsContact SG-SG 3.63Å; C1309-C1333 VanDerWaalsContact SG-CB 3.57Å | ||
| 1310 | L | 68 | Low | 56.7 | Low | 65 Ų | 65 | 69.7 Ų | 69.7 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 20.8 | 178.8 | -63.5 | -175.6 | 0 | 0 | 0 | 115.2 | E1308 I1328 L1341 | E1308-L1310 PolarHBondContact O-N 3.14Å; L1310-I1328 HydrophobicContact CD1-CB 3.98Å; L1310-I1328 HydrophobicContact CD1-CG2 3.84Å; L1310-I1328 HydrophobicContact CG-CB 4.43Å; L1310-I1328 PolarHBondContact N-O 2.87Å; L1310-L1341 HydrophobicContact CB-CD1 3.79Å; L1310-L1341 WeakPolarHBondContact O-CD1 3.49Å |
| 1311 | V | 65.5 | Low | 58.5 | Low | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | -46.9 | -177.2 | 177.4 | 0 | 0 | 0 | 0 | 112.1 | C1309 T1329 C1333 I1337 L1341 V1699 P1703 | C1309-V1311 PolarHBondContact O-N 2.85Å; V1311-T1329 HydrophobicContact CB-CG2 4.36Å; V1311-T1329 HydrophobicContact CG2-CG2 3.62Å; V1311-C1333 HydrophobicContact CB-CB 3.71Å; V1311-C1333 HydrophobicContact CG1-CB 3.84Å; V1311-C1333 HydrophobicContact CG2-CB 4.26Å; V1311-I1337 HydrophobicContact CG2-CG2 3.94Å; V1311-L1341 HydrophobicContact CG2-CD1 3.72Å; V1311-V1699 HydrophobicContact CG1-CG1 4.12Å; V1311-P1703 HydrophobicContact CG1-CB 4.48Å; V1311-P1703 VanDerWaalsContact O-CA 3.29Å; V1311-P1703 WeakPolarHBondContact O-CA 3.5Å; V1311-P1703 WeakPolarHBondContact O-CB 3.46Å |
| 1312 | C | 68 | Low | 59.6 | Low | 12 Ų | 12 | 62.1 Ų | 62.1 | 8% | 0.081 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -24.4 | 172.8 | 65.9 | 0 | 0 | 0 | 0 | 113.9 | E1314 C1330 | C1312-E1314 PolarHBondContact O-N 3.22Å; C1312-C1330 VanDerWaalsContact SG-SG 3.61Å |
| 1313 | S | 64.3 | Low | 60.3 | Low | 18 Ų | 18 | 62.7 Ų | 62.7 | 13% | 0.126 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 57.2 | -7.3 | -170.7 | -55.4 | 0 | 0 | 0 | 0 | 116.8 | C1309 R1706 | C1309-S1313 VanDerWaalsContact O-CA 3.25Å; C1309-S1313 WeakPolarHBondContact O-CA 3.26Å; C1309-S1313 PolarHBondContact O-N 3.32Å; C1309-S1313 PolarHBondContact O-OG 2.76Å; S1313-R1706 VanDerWaalsContact CB-CZ 3.43Å; S1313-R1706 VanDerWaalsContact OG-CZ 3.31Å; S1313-R1706 PolarHBondContact OG-NE 3.2Å |
| 1314 | E | 60.6 | Low | 61.1 | Low | 131 Ų | 131 | 58.2 Ų | 58.2 | 61% | 0.612 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -80.5 | -22.3 | 178.2 | -66.5 | 167.2 | 175.2 | 0 | 0 | 114.6 | C1312 | C1312-E1314 PolarHBondContact O-N 3.22Š|
| 1315 | R | 65.8 | Low | 61.8 | Low | 115 Ų | 115 | 52.6 Ų | 52.6 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -127.2 | 147.6 | -171.6 | -58.6 | -173.9 | -171.5 | -153.5 | 3.7 | 110.8 | C1309 C1330 E1331 | C1309-R1315 WeakPolarHBondContact CB-O 3.5Å; C1309-R1315 PolarHBondContact N-O 3.11Å; R1315-C1330 HydrophobicContact CB-CB 3.62Å; R1315-E1331 IonicContact NH1-OE1 2.87Å |
| 1316 | N | 61 | Low | 63.2 | Low | 95 Ų | 95 | 47.6 Ų | 47.6 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | -59.2 | 147 | 175.7 | -67.3 | -9.4 | 0 | 0 | 0 | 111.9 | R1307 S1318 C1330 | R1307-N1316 CarbonylContact O-C 3.56Å; R1307-N1316 VanDerWaalsContact O-CA 3.23Å; R1307-N1316 WeakPolarHBondContact O-CA 3.46Å; N1316-S1318 PolarHBondContact O-N 2.82Å; N1316-S1318 VanDerWaalsContact O-N 3.12Å; N1316-C1330 VanDerWaalsContact O-CB 3.22Å; N1316-C1330 WeakPolarHBondContact O-CB 3.34Å |
| 1317 | R | 67.7 | Low | 64.3 | Low | 42 Ų | 42 | 42 Ų | 42 | 16% | 0.158 | 21% | 0.206 | C | C | . | . | trans | -60.8 | 112.8 | 167.3 | -55.9 | 173.7 | -173.1 | -172.9 | 8.9 | 107.9 | E1305 W1306 R1307 E1308 I1327 T1329 | E1305-R1317 PolarHBondContact O-NH2 3Å; W1306-R1317 VanDerWaalsContact O-CD 3.31Å; W1306-R1317 WeakPolarHBondContact O-CD 3.22Å; W1306-R1317 VanDerWaalsContact O-CZ 3.26Å; W1306-R1317 PolarHBondContact O-NE 2.76Å; W1306-R1317 VanDerWaalsContact O-NE 3.17Å; R1307-R1317 WeakPolarHBondContact O-CG 3.25Å; R1307-R1317 PolarHBondContact O-N 3.34Å; E1308-R1317 WeakPolarHBondContact O-CG 3.38Å; E1308-R1317 PolarHBondContact O-NE 3.3Å; R1317-I1327 HydrophobicContact CB-CG2 3.76Å; R1317-I1327 WeakPolarHBondContact CD-O 3.48Å; R1317-T1329 CarbonylContact C-O 3.35Å; R1317-T1329 WeakPolarHBondContact CA-O 3.19Å | ||
| 1318 | S | 68 | Low | 65.1 | Low | 25 Ų | 25 | 35.6 Ų | 35.6 | 18% | 0.175 | 18% | 0.182 | C | C | . | . | trans | -128.8 | 7.1 | -171.9 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | N1316 T1329 C1330 E1331 K1352 F1353 | N1316-S1318 PolarHBondContact O-N 2.82Å; N1316-S1318 VanDerWaalsContact O-N 3.12Å; S1318-T1329 PolarHBondContact N-O 3.47Å; S1318-C1330 WeakPolarHBondContact OG-CA 3.43Å; S1318-E1331 PolarHBondContact OG-N 3.39Å; S1318-K1352 CarbonylContact O-C 3.48Å; S1318-K1352 VanDerWaalsContact O-CA 3.31Å; S1318-K1352 WeakPolarHBondContact O-CA 3.35Å; S1318-F1353 PolarHBondContact O-N 2.91Å | ||
| 1319 | T | 70.6 | Confident | 65.7 | Low | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.8 | 179.3 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | I1327 T1329 E1331 T1334 Y1350 H1351 | T1319-I1327 WeakPolarHBondContact O-CA 3.21Å; T1319-T1329 PolarHBondContact N-O 2.8Å; T1319-T1329 VanDerWaalsContact N-O 3.08Å; T1319-T1329 PolarHBondContact OG1-O 2.81Å; T1319-T1329 PolarHBondContact OG1-OG1 2.85Å; T1319-T1329 VanDerWaalsContact OG1-OG1 3.13Å; T1319-E1331 HydrophobicContact CG2-CB 4.35Å; T1319-T1334 WeakPolarHBondContact CG2-OG1 3.47Å; T1319-T1334 PolarHBondContact OG1-OG1 3.02Å; T1319-Y1350 HydrophobicContact CG2-CD2 4.46Å; T1319-H1351 CarbonylContact C-O 3.56Å; T1319-H1351 WeakPolarHBondContact CA-O 3.42Å |
| 1320 | V | 70.7 | Confident | 66.2 | Low | 30 Ų | 30 | 33.8 Ų | 33.8 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 127.6 | 168 | 177.5 | 0 | 0 | 0 | 0 | 108.7 | I1327 Y1350 H1351 F1353 | V1320-I1327 HydrophobicContact CG2-CD1 4.08Å; V1320-I1327 HydrophobicContact CG2-CG1 3.84Å; V1320-Y1350 CarbonylContact O-C 3.58Å; V1320-Y1350 WeakPolarHBondContact O-CA 3.47Å; V1320-Y1350 VanDerWaalsContact O-CB 3.32Å; V1320-Y1350 WeakPolarHBondContact O-CB 3.21Å; V1320-H1351 PolarHBondContact N-O 3.12Å; V1320-H1351 PolarHBondContact O-N 3.39Å; V1320-F1353 HydrophobicContact CG2-CB 4.45Å |
| 1321 | I | 71.3 | Confident | 66.6 | Low | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.6 | -177.6 | -64.7 | 176.6 | 0 | 0 | 0 | 111.5 | C1324 G1325 H1326 I1328 T1334 I1337 C1340 I1347 | I1321-C1324 CarbonylContact O-C 3.55Å; I1321-C1324 PolarHBondContact O-N 2.87Å; I1321-C1324 PolarHBondContact O-SG 2.85Å; I1321-G1325 WeakPolarHBondContact O-CA 3.49Å; I1321-G1325 PolarHBondContact O-N 3.23Å; I1321-H1326 PolarHBondContact N-O 3.19Å; I1321-H1326 VanDerWaalsContact N-O 3.12Å; I1321-I1328 HydrophobicContact CD1-CD1 3.52Å; I1321-I1328 HydrophobicContact CD1-CG1 3.37Å; I1321-I1328 HydrophobicContact CG1-CG1 4.49Å; I1321-T1334 HydrophobicContact CG1-CG2 4.11Å; I1321-I1337 HydrophobicContact CD1-CD1 3.48Å; I1321-I1337 VanDerWaalsContact CD1-CD1 3.48Å; I1321-C1340 HydrophobicContact CG2-CB 4.41Å; I1321-I1347 HydrophobicContact CD1-CD1 4.03Å; I1321-I1347 HydrophobicContact CG1-CD1 4.4Å; I1321-I1347 HydrophobicContact CG2-CB 4.21Å; I1321-I1347 HydrophobicContact CG2-CD1 3.64Å; I1321-I1347 HydrophobicContact CG2-CG1 3.53Å; I1321-I1347 HydrophobicContact CG2-CG2 4Å |
| 1322 | L | 61.4 | Low | 67.2 | Low | 64 Ų | 64 | 37.3 Ų | 37.3 | 34% | 0.335 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 145.8 | 175.9 | -64.8 | -177.1 | 0 | 0 | 0 | 112.7 | C1324 A1348 G1349 H1351 | L1322-C1324 VanDerWaalsContact C-N 3.34Å; L1322-A1348 PolarHBondContact O-N 3.49Å; L1322-G1349 WeakPolarHBondContact CB-O 3.39Å; L1322-G1349 PolarHBondContact N-O 2.8Å; L1322-H1351 WeakPolarHBondContact CD1-NE2 3.19Å |
| 1323 | P | 54.8 | Low | 67.7 | Low | 65 Ų | 65 | 37 Ų | 37 | 42% | 0.422 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -83.1 | -1.3 | 0.9 | 34.5 | -36.3 | 0 | 0 | 0 | 114 | G1325 Q1345 R1346 | P1323-G1325 PolarHBondContact O-N 3.44Å; P1323-Q1345 HydrophobicContact CG-CG 3.87Å; P1323-R1346 WeakPolarHBondContact CD-O 3.49Å |
| 1324 | C | 54.8 | Low | 68.5 | Low | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.054 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 5.3 | -164.8 | 70.5 | 0 | 0 | 0 | 0 | 116.9 | I1321 L1322 H1326 C1340 C1343 Q1345 I1518 | I1321-C1324 CarbonylContact O-C 3.55Å; I1321-C1324 PolarHBondContact O-N 2.87Å; I1321-C1324 PolarHBondContact O-SG 2.85Å; L1322-C1324 VanDerWaalsContact C-N 3.34Å; C1324-H1326 PolarHBondContact O-CE1 3.06Å; C1324-H1326 PolarHBondContact O-N 3.39Å; C1324-H1326 PolarHBondContact O-ND1 2.88Å; C1324-C1340 VanDerWaalsContact SG-CB 3.57Å; C1324-C1343 WeakPolarHBondContact CB-SG 3.11Å; C1324-C1343 VanDerWaalsContact SG-SG 3.62Å; C1324-Q1345 HydrophobicContact CB-CB 3.92Å; C1324-Q1345 HydrophobicContact CB-CG 4.1Å; C1324-I1518 VanDerWaalsContact C-CG1 3.49Å; C1324-I1518 WeakPolarHBondContact O-CD1 3.4Å; C1324-I1518 WeakPolarHBondContact O-CG1 3.16Å |
| 1325 | G | 55.9 | Low | 69.4 | Low | 4 Ų | 4 | 33 Ų | 33 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | trans | 60.2 | -13.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | I1321 P1323 I1327 H1373 | I1321-G1325 WeakPolarHBondContact O-CA 3.49Å; I1321-G1325 PolarHBondContact O-N 3.23Å; P1323-G1325 PolarHBondContact O-N 3.44Å; G1325-I1327 PolarHBondContact O-N 2.98Å; G1325-H1373 PolarHBondContact O-NE2 3.46Å | ||
| 1326 | H | 67.1 | Low | 69.8 | Low | 22 Ų | 22 | 28.2 Ų | 28.2 | 10% | 0.102 | 16% | 0.158 | C | C | . | . | trans | -62 | 133.5 | -168.3 | -72.5 | 82.4 | 0 | 0 | 0 | 113.2 | I1321 C1324 I1328 C1340 C1343 | I1321-H1326 PolarHBondContact N-O 3.19Å; I1321-H1326 VanDerWaalsContact N-O 3.12Å; C1324-H1326 PolarHBondContact O-CE1 3.06Å; C1324-H1326 PolarHBondContact O-N 3.39Å; C1324-H1326 PolarHBondContact O-ND1 2.88Å; H1326-I1328 HydrophobicContact CB-CG2 4.39Å; H1326-C1340 WeakPolarHBondContact CB-SG 3.32Å; H1326-C1340 VanDerWaalsContact CG-SG 3.59Å; H1326-C1343 VanDerWaalsContact CE1-SG 3.51Å; H1326-C1343 PolarHBondContact ND1-SG 3.34Å; H1326-C1343 VanDerWaalsContact ND1-SG 3.43Å | ||
| 1327 | I | 68.9 | Low | 70.5 | Confident | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 98.4 | 177.1 | -61.6 | 168.4 | 0 | 0 | 0 | 108.5 | R1317 T1319 V1320 G1325 L1375 | R1317-I1327 HydrophobicContact CB-CG2 3.76Å; R1317-I1327 WeakPolarHBondContact CD-O 3.48Å; T1319-I1327 WeakPolarHBondContact O-CA 3.21Å; V1320-I1327 HydrophobicContact CG2-CD1 4.08Å; V1320-I1327 HydrophobicContact CG2-CG1 3.84Å; G1325-I1327 PolarHBondContact O-N 2.98Å; I1327-L1375 HydrophobicContact CD1-CD1 3.84Å; I1327-L1375 HydrophobicContact CD1-CD2 4.46Å |
| 1328 | I | 71.1 | Confident | 70.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | -19.6 | -172.5 | 54.5 | 161 | 0 | 0 | 0 | 115.1 | L1310 I1321 H1326 I1337 L1341 L1342 | L1310-I1328 HydrophobicContact CD1-CB 3.98Å; L1310-I1328 HydrophobicContact CD1-CG2 3.84Å; L1310-I1328 HydrophobicContact CG-CB 4.43Å; L1310-I1328 PolarHBondContact N-O 2.87Å; I1321-I1328 HydrophobicContact CD1-CD1 3.52Å; I1321-I1328 HydrophobicContact CD1-CG1 3.37Å; I1321-I1328 HydrophobicContact CG1-CG1 4.49Å; H1326-I1328 HydrophobicContact CB-CG2 4.39Å; I1328-I1337 HydrophobicContact CD1-CD1 3.93Å; I1328-L1341 HydrophobicContact CD1-CB 3.65Å; I1328-L1341 HydrophobicContact CD1-CD1 4.16Å; I1328-L1341 HydrophobicContact CD1-CG 3.75Å; I1328-L1342 HydrophobicContact CG2-CD1 3.43Å; I1328-L1342 VanDerWaalsContact CG2-CD1 3.43Å; I1328-L1342 HydrophobicContact CG2-CG 3.88Å |
| 1329 | T | 74.7 | Confident | 71 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 156.1 | -175 | 40 | 0 | 0 | 0 | 0 | 112.3 | C1309 V1311 R1317 S1318 T1319 C1333 T1334 I1337 | C1309-T1329 VanDerWaalsContact SG-CA 3.57Å; V1311-T1329 HydrophobicContact CB-CG2 4.36Å; V1311-T1329 HydrophobicContact CG2-CG2 3.62Å; R1317-T1329 CarbonylContact C-O 3.35Å; R1317-T1329 WeakPolarHBondContact CA-O 3.19Å; S1318-T1329 PolarHBondContact N-O 3.47Å; T1319-T1329 PolarHBondContact N-O 2.8Å; T1319-T1329 VanDerWaalsContact N-O 3.08Å; T1319-T1329 PolarHBondContact OG1-O 2.81Å; T1319-T1329 PolarHBondContact OG1-OG1 2.85Å; T1319-T1329 VanDerWaalsContact OG1-OG1 3.13Å; T1329-C1333 HydrophobicContact CG2-CB 3.91Å; T1329-T1334 VanDerWaalsContact CB-OG1 3.31Å; T1329-T1334 WeakPolarHBondContact CB-OG1 3.48Å; T1329-T1334 PolarHBondContact OG1-OG1 3.07Å; T1329-I1337 HydrophobicContact CG2-CD1 3.63Å; T1329-I1337 HydrophobicContact CG2-CG1 4.34Å |
| 1330 | C | 79.4 | Confident | 71 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | trans | -84 | 160.7 | 162.4 | 67 | 0 | 0 | 0 | 0 | 110.2 | C1309 C1312 R1315 N1316 S1318 T1332 C1333 T1334 | C1309-C1330 HydrophobicContact CB-CB 4.01Å; C1309-C1330 PolarHBondContact SG-N 2.85Å; C1309-C1330 VanDerWaalsContact SG-SG 3.63Å; C1312-C1330 VanDerWaalsContact SG-SG 3.61Å; R1315-C1330 HydrophobicContact CB-CB 3.62Å; N1316-C1330 VanDerWaalsContact O-CB 3.22Å; N1316-C1330 WeakPolarHBondContact O-CB 3.34Å; S1318-C1330 WeakPolarHBondContact OG-CA 3.43Å; C1330-T1332 PolarHBondContact O-N 2.93Å; C1330-T1332 PolarHBondContact SG-OG1 3.46Å; C1330-C1333 PolarHBondContact O-N 3.28Å; C1330-T1334 PolarHBondContact O-N 2.8Å; C1330-T1334 VanDerWaalsContact O-N 3.13Å; C1330-T1334 PolarHBondContact O-OG1 3.45Å | ||
| 1331 | E | 77.3 | Confident | 70.8 | Confident | 80 Ų | 80 | 26.8 Ų | 26.8 | 37% | 0.374 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -34.4 | -179.4 | 69.5 | -161.4 | 174.4 | 0 | 0 | 115.6 | R1315 S1318 T1319 P1335 K1352 | R1315-E1331 IonicContact NH1-OE1 2.87Å; S1318-E1331 PolarHBondContact OG-N 3.39Å; T1319-E1331 HydrophobicContact CG2-CB 4.35Å; E1331-P1335 VanDerWaalsContact O-CD 3.27Å; E1331-P1335 WeakPolarHBondContact O-CD 3.44Å; E1331-K1352 WeakPolarHBondContact OE2-CE 3.41Å; E1331-K1352 IonicContact OE2-NZ 2.62Å; E1331-K1352 PolarHBondContact OE2-NZ 2.84Å |
| 1332 | T | 77.1 | Confident | 70.1 | Confident | 61 Ų | 61 | 30.3 Ų | 30.3 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -22.2 | 178.8 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | C1330 | C1330-T1332 PolarHBondContact O-N 2.93Å; C1330-T1332 PolarHBondContact SG-OG1 3.46Å |
| 1333 | C | 79.2 | Confident | 69.9 | Low | 6 Ų | 6 | 29.7 Ų | 29.7 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -24.9 | -176.1 | -71.4 | 0 | 0 | 0 | 0 | 113.5 | C1309 V1311 T1329 C1330 L1336 | C1309-C1333 VanDerWaalsContact SG-CB 3.57Å; V1311-C1333 HydrophobicContact CB-CB 3.71Å; V1311-C1333 HydrophobicContact CG1-CB 3.84Å; V1311-C1333 HydrophobicContact CG2-CB 4.26Å; T1329-C1333 HydrophobicContact CG2-CB 3.91Å; C1330-C1333 PolarHBondContact O-N 3.28Å; C1333-L1336 VanDerWaalsContact O-CB 3.3Å; C1333-L1336 WeakPolarHBondContact O-CB 3.14Å; C1333-L1336 WeakPolarHBondContact O-CG 3.25Å; C1333-L1336 PolarHBondContact O-N 3.21Å |
| 1334 | T | 80.6 | Confident | 70.4 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -58.4 | -42.9 | 178.1 | -41.5 | 0 | 0 | 0 | 0 | 114.4 | T1319 I1321 T1329 C1330 L1336 I1337 Y1350 | T1319-T1334 WeakPolarHBondContact CG2-OG1 3.47Å; T1319-T1334 PolarHBondContact OG1-OG1 3.02Å; I1321-T1334 HydrophobicContact CG1-CG2 4.11Å; T1329-T1334 VanDerWaalsContact CB-OG1 3.31Å; T1329-T1334 WeakPolarHBondContact CB-OG1 3.48Å; T1329-T1334 PolarHBondContact OG1-OG1 3.07Å; C1330-T1334 PolarHBondContact O-N 2.8Å; C1330-T1334 VanDerWaalsContact O-N 3.13Å; C1330-T1334 PolarHBondContact O-OG1 3.45Å; T1334-L1336 PolarHBondContact O-N 3.02Å; T1334-L1336 VanDerWaalsContact O-N 3.16Å; T1334-I1337 WeakPolarHBondContact O-CG1 3.24Å; T1334-Y1350 HydrophobicContact CG2-CD1 3.64Å; T1334-Y1350 HydrophobicContact CG2-CD2 3.99Å; T1334-Y1350 HydrophobicContact CG2-CE1 4.27Å; T1334-Y1350 HydrophobicContact CG2-CG 3.48Å; T1334-Y1350 VanDerWaalsContact CG2-CG 3.48Å |
| 1335 | P | 79.3 | Confident | 71 | Confident | 62 Ų | 62 | 34.4 Ų | 34.4 | 40% | 0.403 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -67.5 | -9.7 | 174.5 | 24.9 | -34.1 | 0 | 0 | 0 | 114.4 | E1331 | E1331-P1335 VanDerWaalsContact O-CD 3.27Å; E1331-P1335 WeakPolarHBondContact O-CD 3.44Å |
| 1336 | L | 75.5 | Confident | 71.8 | Confident | 16 Ų | 16 | 43.2 Ų | 43.2 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -90 | -30.4 | -176.5 | -42.9 | -171.3 | 0 | 0 | 0 | 112.1 | C1333 T1334 I1675 C1695 Q1698 V1699 | C1333-L1336 VanDerWaalsContact O-CB 3.3Å; C1333-L1336 WeakPolarHBondContact O-CB 3.14Å; C1333-L1336 WeakPolarHBondContact O-CG 3.25Å; C1333-L1336 PolarHBondContact O-N 3.21Å; T1334-L1336 PolarHBondContact O-N 3.02Å; T1334-L1336 VanDerWaalsContact O-N 3.16Å; L1336-I1675 HydrophobicContact CB-CG2 4.33Å; L1336-I1675 VanDerWaalsContact O-CG2 3.25Å; L1336-I1675 WeakPolarHBondContact O-CG2 3.39Å; L1336-C1695 PolarHBondContact O-SG 3.43Å; L1336-Q1698 HydrophobicContact CB-CB 4.49Å; L1336-Q1698 HydrophobicContact CD1-CB 3.89Å; L1336-Q1698 WeakPolarHBondContact CD1-O 3.46Å; L1336-Q1698 HydrophobicContact CD2-CB 3.55Å; L1336-Q1698 HydrophobicContact CD2-CG 4.06Å; L1336-Q1698 HydrophobicContact CG-CB 4.15Å; L1336-V1699 HydrophobicContact CD1-CG1 3.76Å |
| 1337 | I | 75 | Confident | 72 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | trans | -83.8 | 135.4 | 174.9 | 52.7 | 167.5 | 0 | 0 | 0 | 110.1 | V1311 I1321 I1328 T1329 T1334 L1341 I1347 I1675 | V1311-I1337 HydrophobicContact CG2-CG2 3.94Å; I1321-I1337 HydrophobicContact CD1-CD1 3.48Å; I1321-I1337 VanDerWaalsContact CD1-CD1 3.48Å; I1328-I1337 HydrophobicContact CD1-CD1 3.93Å; T1329-I1337 HydrophobicContact CG2-CD1 3.63Å; T1329-I1337 HydrophobicContact CG2-CG1 4.34Å; T1334-I1337 WeakPolarHBondContact O-CG1 3.24Å; I1337-L1341 HydrophobicContact CG2-CD1 4.45Å; I1337-L1341 HydrophobicContact CG2-CD2 4.03Å; I1337-L1341 HydrophobicContact CG2-CG 4.26Å; I1337-I1347 HydrophobicContact CB-CD1 4.31Å; I1337-I1347 HydrophobicContact CD1-CD1 3.68Å; I1337-I1347 HydrophobicContact CG1-CD1 3.61Å; I1337-I1347 WeakPolarHBondContact O-CD1 3.25Å; I1337-I1675 WeakPolarHBondContact CA-O 3.37Å; I1337-I1675 HydrophobicContact CB-CG2 4.36Å; I1337-I1675 HydrophobicContact CG2-CG2 3.55Å; I1337-I1675 WeakPolarHBondContact CG2-O 3.46Å | ||
| 1338 | K | 73.5 | Confident | 72.2 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 33% | 0.33 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -100.6 | -13.3 | 175.6 | -65.7 | -159.7 | 177.1 | -167.5 | 0 | 113.6 | I1347 C1676 W1694 | K1338-I1347 PolarHBondContact O-N 3.3Å; K1338-C1676 HydrophobicContact CB-CB 4.11Å; K1338-C1676 HydrophobicContact CG-CB 4.25Å; K1338-W1694 HydrophobicContact CD-CZ3 4.41Å; K1338-W1694 VanDerWaalsContact CE-CH2 3.48Å |
| 1339 | K | 72.5 | Confident | 72.4 | Confident | 38 Ų | 38 | 48.7 Ų | 48.7 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -138.7 | 146.9 | 177.4 | -62.5 | -178.2 | -166.1 | 170.9 | 0 | 107.4 | L1341 R1344 Q1345 C1676 L1677 D1678 | K1339-L1341 PolarHBondContact O-N 3.45Å; K1339-R1344 WeakPolarHBondContact CB-O 3.28Å; K1339-Q1345 CarbonylContact C-O 3.58Å; K1339-Q1345 WeakPolarHBondContact CA-O 3.32Å; K1339-C1676 WeakPolarHBondContact CD-O 3.41Å; K1339-C1676 WeakPolarHBondContact CG-O 3.32Å; K1339-L1677 HydrophobicContact CB-CB 4.48Å; K1339-L1677 HydrophobicContact CD-CB 4.09Å; K1339-L1677 PolarHBondContact NZ-O 3.33Å; K1339-D1678 WeakPolarHBondContact CE-OD1 3.37Å; K1339-D1678 IonicContact NZ-OD1 2.71Å; K1339-D1678 PolarHBondContact NZ-OD1 2.99Å |
| 1340 | C | 70.5 | Confident | 72.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -59.5 | 135 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | I1321 C1324 H1326 L1342 C1343 R1344 Q1345 | I1321-C1340 HydrophobicContact CG2-CB 4.41Å; C1324-C1340 VanDerWaalsContact SG-CB 3.57Å; H1326-C1340 WeakPolarHBondContact CB-SG 3.32Å; H1326-C1340 VanDerWaalsContact CG-SG 3.59Å; C1340-L1342 PolarHBondContact O-N 3.4Å; C1340-L1342 PolarHBondContact SG-N 2.96Å; C1340-C1343 VanDerWaalsContact CB-SG 3.59Å; C1340-R1344 WeakPolarHBondContact O-CA 3.46Å; C1340-R1344 PolarHBondContact O-N 3.05Å; C1340-Q1345 PolarHBondContact N-O 2.96Å | ||
| 1341 | L | 66.6 | Low | 71.9 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.225 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -23.2 | -179.8 | -59.1 | 177 | 0 | 0 | 0 | 113.7 | L1310 V1311 I1328 I1337 K1339 P1674 | L1310-L1341 HydrophobicContact CB-CD1 3.79Å; L1310-L1341 WeakPolarHBondContact O-CD1 3.49Å; V1311-L1341 HydrophobicContact CG2-CD1 3.72Å; I1328-L1341 HydrophobicContact CD1-CB 3.65Å; I1328-L1341 HydrophobicContact CD1-CD1 4.16Å; I1328-L1341 HydrophobicContact CD1-CG 3.75Å; I1337-L1341 HydrophobicContact CG2-CD1 4.45Å; I1337-L1341 HydrophobicContact CG2-CD2 4.03Å; I1337-L1341 HydrophobicContact CG2-CG 4.26Å; K1339-L1341 PolarHBondContact O-N 3.45Å; L1341-P1674 WeakPolarHBondContact CD2-O 3.35Å |
| 1342 | L | 57.8 | Low | 71.5 | Confident | 74 Ų | 74 | 62 Ų | 62 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -82.8 | 175.6 | -67.7 | 171 | 0 | 0 | 0 | 110.5 | I1328 C1340 R1344 | I1328-L1342 HydrophobicContact CG2-CD1 3.43Å; I1328-L1342 VanDerWaalsContact CG2-CD1 3.43Å; I1328-L1342 HydrophobicContact CG2-CG 3.88Å; C1340-L1342 PolarHBondContact O-N 3.4Å; C1340-L1342 PolarHBondContact SG-N 2.96Å; L1342-R1344 PolarHBondContact O-N 3.49Å; L1342-R1344 VanDerWaalsContact O-N 3.16Å |
| 1343 | C | 55.6 | Low | 70.7 | Confident | 51 Ų | 51 | 62.1 Ų | 62.1 | 35% | 0.345 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5 | -175 | 65.4 | 0 | 0 | 0 | 0 | 116.2 | C1324 H1326 C1340 Q1345 | C1324-C1343 WeakPolarHBondContact CB-SG 3.11Å; C1324-C1343 VanDerWaalsContact SG-SG 3.62Å; H1326-C1343 VanDerWaalsContact CE1-SG 3.51Å; H1326-C1343 PolarHBondContact ND1-SG 3.34Å; H1326-C1343 VanDerWaalsContact ND1-SG 3.43Å; C1340-C1343 VanDerWaalsContact CB-SG 3.59Å; C1343-Q1345 PolarHBondContact O-N 3.46Å; C1343-Q1345 VanDerWaalsContact SG-CB 3.57Å |
| 1344 | R | 65.5 | Low | 69.2 | Low | 72 Ų | 72 | 65.5 Ų | 65.5 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | trans | 61.8 | 7.7 | -177.7 | -46.8 | -172.9 | 172.5 | 173.9 | -7.6 | 115.8 | K1339 C1340 L1342 E1669 L1677 | K1339-R1344 WeakPolarHBondContact CB-O 3.28Å; C1340-R1344 WeakPolarHBondContact O-CA 3.46Å; C1340-R1344 PolarHBondContact O-N 3.05Å; L1342-R1344 PolarHBondContact O-N 3.49Å; L1342-R1344 VanDerWaalsContact O-N 3.16Å; R1344-E1669 IonicContact CZ-OE1 3.81Å; R1344-E1669 IonicContact CZ-OE2 2.6Å; R1344-E1669 VanDerWaalsContact CZ-OE2 3.31Å; R1344-E1669 IonicContact NH1-OE1 3.4Å; R1344-E1669 PolarHBondContact NH1-OE1 2.91Å; R1344-E1669 IonicContact NH1-OE2 2.92Å; R1344-E1669 PolarHBondContact NH1-OE2 3.06Å; R1344-E1669 IonicContact NH2-OE1 2.69Å; R1344-E1669 IonicContact NH2-OE2 3.53Å; R1344-E1669 PolarHBondContact NH2-OE2 3.24Å; R1344-L1677 HydrophobicContact CB-CD1 4.33Å; R1344-L1677 HydrophobicContact CG-CD1 3.91Å | ||
| 1345 | Q | 69 | Low | 68.1 | Low | 99 Ų | 99 | 68.4 Ų | 68.4 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 139.2 | 176.5 | -177.1 | 63.1 | -30.3 | 0 | 0 | 111 | P1323 C1324 K1339 C1340 C1343 | P1323-Q1345 HydrophobicContact CG-CG 3.87Å; C1324-Q1345 HydrophobicContact CB-CB 3.92Å; C1324-Q1345 HydrophobicContact CB-CG 4.1Å; K1339-Q1345 CarbonylContact C-O 3.58Å; K1339-Q1345 WeakPolarHBondContact CA-O 3.32Å; C1340-Q1345 PolarHBondContact N-O 2.96Å; C1343-Q1345 PolarHBondContact O-N 3.46Å; C1343-Q1345 VanDerWaalsContact SG-CB 3.57Å |
| 1346 | R | 71.6 | Confident | 66.7 | Low | 189 Ų | 189 | 65.4 Ų | 65.4 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | B | Isolated β-bridge | trans | -65.8 | 134.2 | 178.7 | -173.8 | 176.1 | 179.7 | 171.7 | -1.4 | 110.5 | P1323 A1348 | P1323-R1346 WeakPolarHBondContact CD-O 3.49Å; R1346-A1348 PolarHBondContact O-N 3.12Å |
| 1347 | I | 72.2 | Confident | 65.7 | Low | 32 Ų | 32 | 68.1 Ų | 68.1 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 121.3 | -178.9 | -54.5 | -168.7 | 0 | 0 | 0 | 109.4 | I1321 I1337 K1338 G1349 Y1350 | I1321-I1347 HydrophobicContact CD1-CD1 4.03Å; I1321-I1347 HydrophobicContact CG1-CD1 4.4Å; I1321-I1347 HydrophobicContact CG2-CB 4.21Å; I1321-I1347 HydrophobicContact CG2-CD1 3.64Å; I1321-I1347 HydrophobicContact CG2-CG1 3.53Å; I1321-I1347 HydrophobicContact CG2-CG2 4Å; I1337-I1347 HydrophobicContact CB-CD1 4.31Å; I1337-I1347 HydrophobicContact CD1-CD1 3.68Å; I1337-I1347 HydrophobicContact CG1-CD1 3.61Å; I1337-I1347 WeakPolarHBondContact O-CD1 3.25Å; K1338-I1347 PolarHBondContact O-N 3.3Å; I1347-G1349 WeakPolarHBondContact CG2-O 3.47Å; I1347-Y1350 HydrophobicContact CG2-CD1 4.49Å |
| 1348 | A | 72.9 | Confident | 64.4 | Low | 91 Ų | 91 | 71.9 Ų | 71.9 | 75% | 0.752 | 36% | 0.364 | S | S | * | . | trans | -97.7 | -25.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1322 R1346 | L1322-A1348 PolarHBondContact O-N 3.49Å; R1346-A1348 PolarHBondContact O-N 3.12Å | ||
| 1349 | G | 74.4 | Confident | 63.4 | Low | 25 Ų | 25 | 70 Ų | 70 | 26% | 0.258 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.4 | 179.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1322 I1347 | L1322-G1349 WeakPolarHBondContact CB-O 3.39Å; L1322-G1349 PolarHBondContact N-O 2.8Å; I1347-G1349 WeakPolarHBondContact CG2-O 3.47Å |
| 1350 | Y | 78.5 | Confident | 62.5 | Low | 108 Ų | 108 | 73.1 Ų | 73.1 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 149.6 | 173.8 | 54.5 | -94.5 | 0 | 0 | 0 | 111.5 | T1319 V1320 T1334 I1347 | T1319-Y1350 HydrophobicContact CG2-CD2 4.46Å; V1320-Y1350 CarbonylContact O-C 3.58Å; V1320-Y1350 WeakPolarHBondContact O-CA 3.47Å; V1320-Y1350 VanDerWaalsContact O-CB 3.32Å; V1320-Y1350 WeakPolarHBondContact O-CB 3.21Å; T1334-Y1350 HydrophobicContact CG2-CD1 3.64Å; T1334-Y1350 HydrophobicContact CG2-CD2 3.99Å; T1334-Y1350 HydrophobicContact CG2-CE1 4.27Å; T1334-Y1350 HydrophobicContact CG2-CG 3.48Å; T1334-Y1350 VanDerWaalsContact CG2-CG 3.48Å; I1347-Y1350 HydrophobicContact CG2-CD1 4.49Å |
| 1351 | H | 66.2 | Low | 61.6 | Low | 115 Ų | 115 | 80.3 Ų | 80.3 | 53% | 0.532 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 142.7 | 176.5 | -66.2 | -88 | 0 | 0 | 0 | 110.4 | T1319 V1320 L1322 | T1319-H1351 CarbonylContact C-O 3.56Å; T1319-H1351 WeakPolarHBondContact CA-O 3.42Å; V1320-H1351 PolarHBondContact N-O 3.12Å; V1320-H1351 PolarHBondContact O-N 3.39Å; L1322-H1351 WeakPolarHBondContact CD1-NE2 3.19Å |
| 1352 | K | 67.2 | Low | 60.9 | Low | 136 Ų | 136 | 80.4 Ų | 80.4 | 59% | 0.591 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.3 | 172.2 | 179.8 | 169.7 | 176.8 | 166 | 0 | 109.1 | S1318 E1331 | S1318-K1352 CarbonylContact O-C 3.48Å; S1318-K1352 VanDerWaalsContact O-CA 3.31Å; S1318-K1352 WeakPolarHBondContact O-CA 3.35Å; E1331-K1352 WeakPolarHBondContact OE2-CE 3.41Å; E1331-K1352 IonicContact OE2-NZ 2.62Å; E1331-K1352 PolarHBondContact OE2-NZ 2.84Å |
| 1353 | F | 60.2 | Low | 60.6 | Low | 64 Ų | 64 | 82.6 Ų | 82.6 | 28% | 0.281 | 43% | 0.433 | S | S | . | . | trans | -83.8 | 139.5 | 170.7 | -168 | -98 | 0 | 0 | 0 | 109.8 | S1318 V1320 L1355 L1375 | S1318-F1353 PolarHBondContact O-N 2.91Å; V1320-F1353 HydrophobicContact CG2-CB 4.45Å; F1353-L1355 WeakPolarHBondContact CE1-O 3.37Å; F1353-L1355 WeakPolarHBondContact CZ-O 3.05Å; F1353-L1375 HydrophobicContact CD1-CD1 3.94Å; F1353-L1375 HydrophobicContact CD1-CD2 4.33Å; F1353-L1375 HydrophobicContact CD2-CD1 3.68Å; F1353-L1375 HydrophobicContact CE1-CB 3.88Å; F1353-L1375 HydrophobicContact CE1-CD1 3.65Å; F1353-L1375 HydrophobicContact CE1-CD2 4.01Å; F1353-L1375 HydrophobicContact CE1-CG 4.03Å; F1353-L1375 HydrophobicContact CE2-CB 4.35Å; F1353-L1375 HydrophobicContact CE2-CD1 3.38Å; F1353-L1375 HydrophobicContact CE2-CG 4.4Å; F1353-L1375 HydrophobicContact CG-CD1 3.95Å; F1353-L1375 HydrophobicContact CZ-CB 3.56Å; F1353-L1375 HydrophobicContact CZ-CD1 3.35Å; F1353-L1375 HydrophobicContact CZ-CD2 4.42Å; F1353-L1375 HydrophobicContact CZ-CG 3.92Å | ||
| 1354 | S | 49.6 | Very low | 60.4 | Low | 77 Ų | 77 | 81.1 Ų | 81.1 | 54% | 0.538 | 43% | 0.427 | S | S | . | . | trans | -121.1 | -45.4 | -166.1 | 50 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1355 | L | 55.9 | Low | 59.7 | Low | 62 Ų | 62 | 79 Ų | 79 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -150.5 | 149.6 | -161.6 | -64.5 | 166.2 | 0 | 0 | 0 | 112.6 | F1353 N1360 | F1353-L1355 WeakPolarHBondContact CE1-O 3.37Å; F1353-L1355 WeakPolarHBondContact CZ-O 3.05Å; L1355-N1360 VanDerWaalsContact CB-OD1 3.28Å; L1355-N1360 WeakPolarHBondContact CB-OD1 3.24Å; L1355-N1360 WeakPolarHBondContact CD1-O 3.46Å; L1355-N1360 WeakPolarHBondContact CD1-OD1 3.42Å |
| 1356 | C | 51 | Low | 58.8 | Low | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | trans | -54.7 | 133.8 | 172.7 | 163.4 | 0 | 0 | 0 | 0 | 112.3 | E1358 C1359 N1360 S1362 L1375 C1377 | C1356-E1358 PolarHBondContact O-N 2.92Å; C1356-E1358 PolarHBondContact SG-N 2.69Å; C1356-C1359 VanDerWaalsContact SG-SG 3.68Å; C1356-N1360 WeakPolarHBondContact O-CA 3.1Å; C1356-N1360 PolarHBondContact O-N 3.46Å; C1356-S1362 WeakPolarHBondContact CA-O 3.43Å; C1356-S1362 WeakPolarHBondContact CB-O 3.43Å; C1356-S1362 PolarHBondContact N-O 3.41Å; C1356-L1375 VanDerWaalsContact CA-O 3.31Å; C1356-L1375 WeakPolarHBondContact CA-O 3.38Å; C1356-C1377 HydrophobicContact CB-CB 3.9Å; C1356-C1377 PolarHBondContact SG-N 3.38Å | ||
| 1357 | C | 53.2 | Low | 57.7 | Low | 72 Ų | 72 | 70.2 Ų | 70.2 | 49% | 0.486 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.3 | -175.3 | -51.1 | 0 | 0 | 0 | 0 | 115.3 | L1375 | C1357-L1375 PolarHBondContact N-O 2.74Å; C1357-L1375 VanDerWaalsContact N-O 3.14Å |
| 1358 | E | 49.1 | Very low | 56.3 | Low | 85 Ų | 85 | 68.8 Ų | 68.8 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -30.9 | -171.7 | -176.8 | 162.3 | -148 | 0 | 0 | 114.7 | C1356 C1380 K1384 | C1356-E1358 PolarHBondContact O-N 2.92Å; C1356-E1358 PolarHBondContact SG-N 2.69Å; E1358-C1380 HydrophobicContact CB-CB 4Å; E1358-C1380 HydrophobicContact CG-CB 4.25Å; E1358-K1384 WeakPolarHBondContact OE1-CE 3.3Å; E1358-K1384 IonicContact OE1-NZ 2.74Å; E1358-K1384 PolarHBondContact OE1-NZ 3.02Å; E1358-K1384 WeakPolarHBondContact OE2-CG 3.48Å; E1358-K1384 IonicContact OE2-NZ 3.8Å |
| 1359 | C | 52 | Low | 54.8 | Low | 38 Ų | 38 | 74.7 Ų | 74.7 | 26% | 0.257 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -14.2 | 172.8 | 70.6 | 0 | 0 | 0 | 0 | 114.4 | C1356 L1361 S1362 C1377 | C1356-C1359 VanDerWaalsContact SG-SG 3.68Å; C1359-L1361 HydrophobicContact CB-CB 4.46Å; C1359-L1361 WeakPolarHBondContact O-CB 3.35Å; C1359-L1361 WeakPolarHBondContact O-CD1 3.41Å; C1359-L1361 WeakPolarHBondContact O-CG 3.43Å; C1359-L1361 PolarHBondContact O-N 2.9Å; C1359-S1362 PolarHBondContact SG-OG 2.84Å; C1359-C1377 PolarHBondContact SG-SG 2.85Å |
| 1360 | N | 54.7 | Low | 53.1 | Low | 102 Ų | 102 | 77.3 Ų | 77.3 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 50.2 | 24.8 | -177.2 | -125.1 | -4.6 | 0 | 0 | 0 | 114.9 | L1355 C1356 | L1355-N1360 VanDerWaalsContact CB-OD1 3.28Å; L1355-N1360 WeakPolarHBondContact CB-OD1 3.24Å; L1355-N1360 WeakPolarHBondContact CD1-O 3.46Å; L1355-N1360 WeakPolarHBondContact CD1-OD1 3.42Å; C1356-N1360 WeakPolarHBondContact O-CA 3.1Å; C1356-N1360 PolarHBondContact O-N 3.46Å |
| 1361 | L | 50.4 | Low | 51.2 | Low | 151 Ų | 151 | 72.4 Ų | 72.4 | 79% | 0.791 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -131.2 | -14.8 | -168.7 | -80.8 | 165.6 | 0 | 0 | 0 | 114.8 | C1359 | C1359-L1361 HydrophobicContact CB-CB 4.46Å; C1359-L1361 WeakPolarHBondContact O-CB 3.35Å; C1359-L1361 WeakPolarHBondContact O-CD1 3.41Å; C1359-L1361 WeakPolarHBondContact O-CG 3.43Å; C1359-L1361 PolarHBondContact O-N 2.9Å |
| 1362 | S | 51.3 | Low | 50.1 | Low | 46 Ų | 46 | 67.6 Ų | 67.6 | 32% | 0.322 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -147 | 158.2 | -174.8 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | C1356 C1359 G1364 C1377 | C1356-S1362 WeakPolarHBondContact CA-O 3.43Å; C1356-S1362 WeakPolarHBondContact CB-O 3.43Å; C1356-S1362 PolarHBondContact N-O 3.41Å; C1359-S1362 PolarHBondContact SG-OG 2.84Å; S1362-G1364 PolarHBondContact O-N 3.02Å; S1362-C1377 WeakPolarHBondContact OG-CB 3.16Å; S1362-C1377 PolarHBondContact OG-SG 2.93Å |
| 1363 | N | 51.6 | Low | 49.1 | Very low | 119 Ų | 119 | 62.8 Ų | 62.8 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | trans | -64.2 | 132.1 | -176.7 | -64.2 | -40.9 | 0 | 0 | 0 | 111.6 | ||||
| 1364 | G | 52 | Low | 48.6 | Very low | 21 Ų | 21 | 60.5 Ų | 60.5 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | trans | -70.6 | 153.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | S1362 | S1362-G1364 PolarHBondContact O-N 3.02Š| ||
| 1365 | V | 49.8 | Very low | 48.7 | Very low | 27 Ų | 27 | 57.8 Ų | 57.8 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -112.4 | 131.4 | 178.5 | -178 | 0 | 0 | 0 | 0 | 109.4 | I1302 L1367 M1374 W1376 | I1302-V1365 HydrophobicContact CD1-CG1 3.79Å; V1365-L1367 HydrophobicContact CG1-CD2 4.41Å; V1365-M1374 CarbonylContact C-O 3.1Å; V1365-M1374 CarbonylContact O-C 3.59Å; V1365-W1376 PolarHBondContact N-O 3.37Å |
| 1366 | V | 51.1 | Low | 48.6 | Very low | 47 Ų | 47 | 56 Ų | 56 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | trans | -82 | 132 | -179.8 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | N1372 M1374 L1375 | V1366-N1372 HydrophobicContact CG1-CB 3.77Å; V1366-M1374 WeakPolarHBondContact CA-O 3.39Å; V1366-L1375 HydrophobicContact CG2-CD2 3.82Å | ||
| 1367 | L | 47.7 | Very low | 48.7 | Very low | 56 Ų | 56 | 56.2 Ų | 56.2 | 29% | 0.293 | 30% | 0.301 | S | S | . | . | trans | -128.1 | -33.8 | -171.5 | -61.5 | 163.5 | 0 | 0 | 0 | 115 | I1302 V1365 M1374 L1381 | I1302-L1367 HydrophobicContact CD1-CD2 4.19Å; V1365-L1367 HydrophobicContact CG1-CD2 4.41Å; L1367-M1374 HydrophobicContact CB-CB 4.15Å; L1367-M1374 HydrophobicContact CB-SD 3.97Å; L1367-M1374 HydrophobicContact CD1-CB 4.26Å; L1367-M1374 HydrophobicContact CD1-CE 3.89Å; L1367-M1374 HydrophobicContact CD1-SD 4.14Å; L1367-L1381 HydrophobicContact CD1-CD1 3.69Å; L1367-L1381 HydrophobicContact CD1-CD2 3.76Å; L1367-L1381 HydrophobicContact CD1-CG 4.35Å; L1367-L1381 HydrophobicContact CD2-CD2 4.11Å | ||
| 1368 | A | 43.3 | Very low | 48.4 | Very low | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | trans | -89.9 | 119.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1371 N1372 M1374 | A1368-C1371 VanDerWaalsContact CB-SG 3.51Å; A1368-N1372 WeakPolarHBondContact O-CA 3.4Å; A1368-N1372 PolarHBondContact O-N 2.79Å; A1368-M1374 HydrophobicContact CB-CG 4.34Å; A1368-M1374 HydrophobicContact CB-SD 4.48Å | ||
| 1369 | R | 40.6 | Very low | 48.8 | Very low | 214 Ų | 214 | 57.1 Ų | 57.1 | 81% | 0.808 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -22.7 | -171.7 | -79.1 | -179 | 167.4 | 164.9 | -3.1 | 117.9 | ||
| 1370 | P | 39 | Very low | 48.9 | Very low | 80 Ų | 80 | 56 Ų | 56 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -21.8 | 175.1 | 34.2 | -33.4 | 0 | 0 | 0 | 113.9 | G1509 | P1370-G1509 WeakPolarHBondContact CD-O 3.39Š|
| 1371 | C | 39 | Very low | 48.8 | Very low | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -31 | -173.5 | 58 | 0 | 0 | 0 | 0 | 115 | A1368 H1373 C1512 C1516 | A1368-C1371 VanDerWaalsContact CB-SG 3.51Å; C1371-H1373 VanDerWaalsContact C-N 3.25Å; C1371-H1373 HydrophobicContact CB-CB 4.3Å; C1371-H1373 PolarHBondContact O-CE1 3.48Å; C1371-H1373 PolarHBondContact O-ND1 3.06Å; C1371-C1512 HydrophobicContact CB-CB 4.32Å; C1371-C1512 WeakPolarHBondContact CB-SG 3.2Å; C1371-C1512 WeakPolarHBondContact SG-CB 3.27Å; C1371-C1512 CovalentContact SG-SG 2.05Å; C1371-C1512 PolarHBondContact SG-SG 3.17Å; C1371-C1516 HydrophobicContact CB-CB 3.98Å |
| 1372 | N | 42.8 | Very low | 49 | Very low | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.08 | 26% | 0.264 | C | S | . | . | trans | 61.7 | 23.8 | -165.1 | -60.7 | -83.5 | 0 | 0 | 0 | 114.5 | V1366 A1368 | V1366-N1372 HydrophobicContact CG1-CB 3.77Å; A1368-N1372 WeakPolarHBondContact O-CA 3.4Å; A1368-N1372 PolarHBondContact O-N 2.79Å | ||
| 1373 | H | 45.8 | Very low | 49.4 | Very low | 34 Ų | 34 | 52.1 Ų | 52.1 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | trans | -114.8 | 65.9 | -175.5 | -61.3 | 117.8 | 0 | 0 | 0 | 113.9 | G1325 C1371 C1516 | G1325-H1373 PolarHBondContact O-NE2 3.46Å; C1371-H1373 VanDerWaalsContact C-N 3.25Å; C1371-H1373 HydrophobicContact CB-CB 4.3Å; C1371-H1373 PolarHBondContact O-CE1 3.48Å; C1371-H1373 PolarHBondContact O-ND1 3.06Å; H1373-C1516 HydrophobicContact CB-CB 4.26Å; H1373-C1516 PolarHBondContact ND1-SG 3.02Å | ||
| 1374 | M | 50.4 | Low | 49.4 | Very low | 17 Ų | 17 | 48.9 Ų | 48.9 | 8% | 0.084 | 25% | 0.25 | C | C | . | . | trans | -135.4 | 135.9 | 156.1 | -72.4 | -175.1 | 72.6 | 0 | 0 | 107.3 | V1365 V1366 L1367 A1368 W1376 L1513 | V1365-M1374 CarbonylContact C-O 3.1Å; V1365-M1374 CarbonylContact O-C 3.59Å; V1366-M1374 WeakPolarHBondContact CA-O 3.39Å; L1367-M1374 HydrophobicContact CB-CB 4.15Å; L1367-M1374 HydrophobicContact CB-SD 3.97Å; L1367-M1374 HydrophobicContact CD1-CB 4.26Å; L1367-M1374 HydrophobicContact CD1-CE 3.89Å; L1367-M1374 HydrophobicContact CD1-SD 4.14Å; A1368-M1374 HydrophobicContact CB-CG 4.34Å; A1368-M1374 HydrophobicContact CB-SD 4.48Å; M1374-W1376 HydrophobicContact CE-CD2 4.48Å; M1374-W1376 HydrophobicContact CE-CE3 3.8Å; M1374-W1376 HydrophobicContact CE-CH2 4.18Å; M1374-W1376 HydrophobicContact CE-CZ3 3.63Å; M1374-L1513 HydrophobicContact CE-CD1 3.78Å | ||
| 1375 | L | 51.5 | Low | 49.3 | Very low | 20 Ų | 20 | 51.5 Ų | 51.5 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | trans | -140.9 | 50 | -173.1 | -70.7 | 165.7 | 0 | 0 | 0 | 111.7 | I1327 F1353 C1356 C1357 V1366 | I1327-L1375 HydrophobicContact CD1-CD1 3.84Å; I1327-L1375 HydrophobicContact CD1-CD2 4.46Å; F1353-L1375 HydrophobicContact CD1-CD1 3.94Å; F1353-L1375 HydrophobicContact CD1-CD2 4.33Å; F1353-L1375 HydrophobicContact CD2-CD1 3.68Å; F1353-L1375 HydrophobicContact CE1-CB 3.88Å; F1353-L1375 HydrophobicContact CE1-CD1 3.65Å; F1353-L1375 HydrophobicContact CE1-CD2 4.01Å; F1353-L1375 HydrophobicContact CE1-CG 4.03Å; F1353-L1375 HydrophobicContact CE2-CB 4.35Å; F1353-L1375 HydrophobicContact CE2-CD1 3.38Å; F1353-L1375 HydrophobicContact CE2-CG 4.4Å; F1353-L1375 HydrophobicContact CG-CD1 3.95Å; F1353-L1375 HydrophobicContact CZ-CB 3.56Å; F1353-L1375 HydrophobicContact CZ-CD1 3.35Å; F1353-L1375 HydrophobicContact CZ-CD2 4.42Å; F1353-L1375 HydrophobicContact CZ-CG 3.92Å; C1356-L1375 VanDerWaalsContact CA-O 3.31Å; C1356-L1375 WeakPolarHBondContact CA-O 3.38Å; C1357-L1375 PolarHBondContact N-O 2.74Å; C1357-L1375 VanDerWaalsContact N-O 3.14Å; V1366-L1375 HydrophobicContact CG2-CD2 3.82Å | ||
| 1376 | W | 54.2 | Low | 49.4 | Very low | 25 Ų | 25 | 54.4 Ų | 54.4 | 10% | 0.095 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -89.1 | 143.3 | 167.6 | -64.4 | -27.9 | 0 | 0 | 0 | 111.3 | V1365 M1374 C1380 L1381 K1384 L1513 | V1365-W1376 PolarHBondContact N-O 3.37Å; M1374-W1376 HydrophobicContact CE-CD2 4.48Å; M1374-W1376 HydrophobicContact CE-CE3 3.8Å; M1374-W1376 HydrophobicContact CE-CH2 4.18Å; M1374-W1376 HydrophobicContact CE-CZ3 3.63Å; W1376-C1380 HydrophobicContact CB-CB 4.32Å; W1376-L1381 HydrophobicContact CB-CB 4.14Å; W1376-L1381 HydrophobicContact CE3-CB 4.36Å; W1376-L1381 HydrophobicContact CE3-CD1 3.75Å; W1376-L1381 HydrophobicContact CZ3-CD1 4.18Å; W1376-K1384 HydrophobicContact CD2-CG 4.39Å; W1376-K1384 HydrophobicContact CE3-CB 4.12Å; W1376-K1384 HydrophobicContact CE3-CG 4.16Å; W1376-K1384 HydrophobicContact CH2-CB 3.84Å; W1376-K1384 HydrophobicContact CH2-CD 3.7Å; W1376-K1384 HydrophobicContact CH2-CG 3.63Å; W1376-K1384 HydrophobicContact CZ2-CD 3.9Å; W1376-K1384 HydrophobicContact CZ2-CG 3.9Å; W1376-K1384 HydrophobicContact CZ3-CB 3.59Å; W1376-K1384 HydrophobicContact CZ3-CD 4.34Å; W1376-K1384 HydrophobicContact CZ3-CG 3.78Å; W1376-L1513 HydrophobicContact CH2-CD1 3.65Å; W1376-L1513 HydrophobicContact CZ2-CD1 4.4Å; W1376-L1513 HydrophobicContact CZ3-CD1 4.21Å |
| 1377 | C | 52.2 | Low | 49.3 | Very low | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | trans | -76.9 | 163.7 | 170.2 | 66.2 | 0 | 0 | 0 | 0 | 111.2 | C1356 C1359 S1362 P1379 C1380 L1381 | C1356-C1377 HydrophobicContact CB-CB 3.9Å; C1356-C1377 PolarHBondContact SG-N 3.38Å; C1359-C1377 PolarHBondContact SG-SG 2.85Å; S1362-C1377 WeakPolarHBondContact OG-CB 3.16Å; S1362-C1377 PolarHBondContact OG-SG 2.93Å; C1377-P1379 VanDerWaalsContact C-N 3.31Å; C1377-C1380 PolarHBondContact O-N 3.34Å; C1377-C1380 VanDerWaalsContact O-N 3.13Å; C1377-C1380 VanDerWaalsContact SG-SG 3.61Å; C1377-L1381 WeakPolarHBondContact O-CB 3.4Å; C1377-L1381 PolarHBondContact O-N 3.35Å | ||
| 1378 | K | 48 | Very low | 49.2 | Very low | 90 Ų | 90 | 56.6 Ų | 56.6 | 39% | 0.391 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -51.7 | -39.5 | -176.7 | -156.7 | -177.6 | -175.1 | -172.9 | 0 | 113.7 | L1299 D1300 K1382 | L1299-K1378 HydrophobicContact CD2-CD 4.43Å; L1299-K1378 HydrophobicContact CD2-CG 3.63Å; L1299-K1378 HydrophobicContact CG-CG 4.26Å; L1299-K1378 VanDerWaalsContact O-CE 3.29Å; L1299-K1378 WeakPolarHBondContact O-CE 3.49Å; D1300-K1378 IonicContact OD1-NZ 2.81Å; D1300-K1378 PolarHBondContact OD1-NZ 3.23Å; D1300-K1378 IonicContact OD2-NZ 3.02Å; D1300-K1378 PolarHBondContact OD2-NZ 2.85Å; K1378-K1382 PolarHBondContact O-N 3.3Å |
| 1379 | P | 56.6 | Low | 49.3 | Very low | 86 Ų | 86 | 61.3 Ų | 61.3 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.9 | -57.4 | 170.2 | -26.4 | 35.6 | 0 | 0 | 0 | 115.1 | C1377 L1381 K1382 T1383 | C1377-P1379 VanDerWaalsContact C-N 3.31Å; P1379-L1381 VanDerWaalsContact C-N 3.35Å; P1379-L1381 PolarHBondContact O-N 3.16Å; P1379-K1382 WeakPolarHBondContact O-CB 3.27Å; P1379-K1382 PolarHBondContact O-N 3.41Å; P1379-T1383 PolarHBondContact O-N 3.45Å; P1379-T1383 VanDerWaalsContact O-N 3.08Å; P1379-T1383 PolarHBondContact O-OG1 2.77Å |
| 1380 | C | 53.9 | Low | 49.4 | Very low | 14 Ų | 14 | 55.5 Ų | 55.5 | 10% | 0.095 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | -174.7 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | E1358 W1376 C1377 K1382 T1383 K1384 | E1358-C1380 HydrophobicContact CB-CB 4Å; E1358-C1380 HydrophobicContact CG-CB 4.25Å; W1376-C1380 HydrophobicContact CB-CB 4.32Å; C1377-C1380 PolarHBondContact O-N 3.34Å; C1377-C1380 VanDerWaalsContact O-N 3.13Å; C1377-C1380 VanDerWaalsContact SG-SG 3.61Å; C1380-K1382 VanDerWaalsContact C-N 3.28Å; C1380-K1382 PolarHBondContact O-N 3.46Å; C1380-T1383 WeakPolarHBondContact O-CB 3.43Å; C1380-T1383 PolarHBondContact O-N 3Å; C1380-T1383 VanDerWaalsContact O-N 3.12Å; C1380-K1384 PolarHBondContact O-N 3.46Å |
| 1381 | L | 54.3 | Low | 49.5 | Very low | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.8 | -43.8 | 173.2 | 174.3 | 62.6 | 0 | 0 | 0 | 111.6 | L1299 L1367 W1376 C1377 P1379 T1383 K1384 V1385 | L1299-L1381 HydrophobicContact CD1-CD2 3.76Å; L1299-L1381 HydrophobicContact CD2-CD2 3.96Å; L1299-L1381 HydrophobicContact CG-CD2 4.43Å; L1367-L1381 HydrophobicContact CD1-CD1 3.69Å; L1367-L1381 HydrophobicContact CD1-CD2 3.76Å; L1367-L1381 HydrophobicContact CD1-CG 4.35Å; L1367-L1381 HydrophobicContact CD2-CD2 4.11Å; W1376-L1381 HydrophobicContact CB-CB 4.14Å; W1376-L1381 HydrophobicContact CE3-CB 4.36Å; W1376-L1381 HydrophobicContact CE3-CD1 3.75Å; W1376-L1381 HydrophobicContact CZ3-CD1 4.18Å; C1377-L1381 WeakPolarHBondContact O-CB 3.4Å; C1377-L1381 PolarHBondContact O-N 3.35Å; P1379-L1381 VanDerWaalsContact C-N 3.35Å; P1379-L1381 PolarHBondContact O-N 3.16Å; L1381-T1383 PolarHBondContact O-N 3.06Å; L1381-K1384 PolarHBondContact O-N 3.24Å; L1381-V1385 HydrophobicContact CD1-CG2 4.17Å; L1381-V1385 WeakPolarHBondContact O-CG2 3.45Å; L1381-V1385 PolarHBondContact O-N 2.83Å |
| 1382 | K | 54.8 | Low | 49.5 | Very low | 131 Ų | 131 | 58.4 Ų | 58.4 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.6 | -42.7 | 177.1 | -173.1 | 178.7 | 178.7 | -179.7 | 0 | 111.5 | K1378 P1379 C1380 V1385 Q1386 | K1378-K1382 PolarHBondContact O-N 3.3Å; P1379-K1382 WeakPolarHBondContact O-CB 3.27Å; P1379-K1382 PolarHBondContact O-N 3.41Å; C1380-K1382 VanDerWaalsContact C-N 3.28Å; C1380-K1382 PolarHBondContact O-N 3.46Å; K1382-V1385 PolarHBondContact O-N 3.49Å; K1382-Q1386 WeakPolarHBondContact O-CB 3.48Å; K1382-Q1386 VanDerWaalsContact O-CG 3.28Å; K1382-Q1386 WeakPolarHBondContact O-CG 3.19Å; K1382-Q1386 PolarHBondContact O-N 2.85Å |
| 1383 | T | 57.7 | Low | 49.5 | Very low | 69 Ų | 69 | 63 Ų | 63 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.2 | -51.8 | 0 | 0 | 0 | 0 | 112.1 | P1379 C1380 L1381 Q1386 Q1387 | P1379-T1383 PolarHBondContact O-N 3.45Å; P1379-T1383 VanDerWaalsContact O-N 3.08Å; P1379-T1383 PolarHBondContact O-OG1 2.77Å; C1380-T1383 WeakPolarHBondContact O-CB 3.43Å; C1380-T1383 PolarHBondContact O-N 3Å; C1380-T1383 VanDerWaalsContact O-N 3.12Å; L1381-T1383 PolarHBondContact O-N 3.06Å; T1383-Q1386 PolarHBondContact O-N 3.42Å; T1383-Q1387 WeakPolarHBondContact O-CG 3.42Å; T1383-Q1387 PolarHBondContact O-N 2.8Å |
| 1384 | K | 52.1 | Low | 49.2 | Very low | 52 Ų | 52 | 66.5 Ų | 66.5 | 23% | 0.226 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 176.4 | -77.9 | -81.2 | 178.4 | -81.6 | 0 | 112.8 | E1358 W1376 C1380 L1381 Q1386 Q1387 L1388 | E1358-K1384 WeakPolarHBondContact OE1-CE 3.3Å; E1358-K1384 IonicContact OE1-NZ 2.74Å; E1358-K1384 PolarHBondContact OE1-NZ 3.02Å; E1358-K1384 WeakPolarHBondContact OE2-CG 3.48Å; E1358-K1384 IonicContact OE2-NZ 3.8Å; W1376-K1384 HydrophobicContact CD2-CG 4.39Å; W1376-K1384 HydrophobicContact CE3-CB 4.12Å; W1376-K1384 HydrophobicContact CE3-CG 4.16Å; W1376-K1384 HydrophobicContact CH2-CB 3.84Å; W1376-K1384 HydrophobicContact CH2-CD 3.7Å; W1376-K1384 HydrophobicContact CH2-CG 3.63Å; W1376-K1384 HydrophobicContact CZ2-CD 3.9Å; W1376-K1384 HydrophobicContact CZ2-CG 3.9Å; W1376-K1384 HydrophobicContact CZ3-CB 3.59Å; W1376-K1384 HydrophobicContact CZ3-CD 4.34Å; W1376-K1384 HydrophobicContact CZ3-CG 3.78Å; C1380-K1384 PolarHBondContact O-N 3.46Å; L1381-K1384 PolarHBondContact O-N 3.24Å; K1384-Q1386 VanDerWaalsContact C-N 3.34Å; K1384-Q1387 VanDerWaalsContact NZ-OE1 3.14Å; K1384-Q1387 PolarHBondContact O-N 3.45Å; K1384-L1388 PolarHBondContact O-N 3.43Å; K1384-L1388 VanDerWaalsContact O-N 3.07Å |
| 1385 | V | 50.4 | Low | 48.5 | Very low | 75 Ų | 75 | 68 Ų | 68 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 172.6 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | L1381 K1382 Q1387 L1388 E1389 | L1381-V1385 HydrophobicContact CD1-CG2 4.17Å; L1381-V1385 WeakPolarHBondContact O-CG2 3.45Å; L1381-V1385 PolarHBondContact O-N 2.83Å; K1382-V1385 PolarHBondContact O-N 3.49Å; V1385-Q1387 VanDerWaalsContact C-N 3.33Å; V1385-Q1387 PolarHBondContact O-N 2.82Å; V1385-L1388 PolarHBondContact O-N 3.43Å; V1385-E1389 WeakPolarHBondContact O-CB 3.48Å; V1385-E1389 PolarHBondContact O-N 3.12Å |
| 1386 | Q | 52 | Low | 47.7 | Very low | 88 Ų | 88 | 68.7 Ų | 68.7 | 41% | 0.411 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.7 | -32.6 | 176.1 | -71.9 | 177 | -50 | 0 | 0 | 113.3 | K1382 T1383 K1384 E1389 I1390 | K1382-Q1386 WeakPolarHBondContact O-CB 3.48Å; K1382-Q1386 VanDerWaalsContact O-CG 3.28Å; K1382-Q1386 WeakPolarHBondContact O-CG 3.19Å; K1382-Q1386 PolarHBondContact O-N 2.85Å; T1383-Q1386 PolarHBondContact O-N 3.42Å; K1384-Q1386 VanDerWaalsContact C-N 3.34Å; Q1386-E1389 PolarHBondContact O-N 2.83Å; Q1386-I1390 WeakPolarHBondContact O-CD1 3.31Å; Q1386-I1390 VanDerWaalsContact O-CG1 3.29Å; Q1386-I1390 WeakPolarHBondContact O-CG1 3.25Å; Q1386-I1390 PolarHBondContact O-N 3Å |
| 1387 | Q | 49.6 | Very low | 46.8 | Very low | 98 Ų | 98 | 73.5 Ų | 73.5 | 46% | 0.458 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 172.3 | -74.7 | 175.6 | -27.7 | 0 | 0 | 111.9 | T1383 K1384 V1385 I1391 | T1383-Q1387 WeakPolarHBondContact O-CG 3.42Å; T1383-Q1387 PolarHBondContact O-N 2.8Å; K1384-Q1387 VanDerWaalsContact NZ-OE1 3.14Å; K1384-Q1387 PolarHBondContact O-N 3.45Å; V1385-Q1387 VanDerWaalsContact C-N 3.33Å; V1385-Q1387 PolarHBondContact O-N 2.82Å; Q1387-I1391 WeakPolarHBondContact O-CG1 3.47Å; Q1387-I1391 PolarHBondContact O-N 2.93Å; Q1387-I1391 VanDerWaalsContact O-N 3.13Å |
| 1388 | L | 46 | Very low | 45.8 | Very low | 51 Ų | 51 | 78.7 Ų | 78.7 | 27% | 0.267 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 173 | -67.9 | 167.3 | 0 | 0 | 0 | 112.2 | K1384 V1385 I1391 H1392 L1503 | K1384-L1388 PolarHBondContact O-N 3.43Å; K1384-L1388 VanDerWaalsContact O-N 3.07Å; V1385-L1388 PolarHBondContact O-N 3.43Å; L1388-I1391 PolarHBondContact O-N 2.04Å; L1388-H1392 WeakPolarHBondContact O-CB 3.44Å; L1388-H1392 PolarHBondContact O-N 2.75Å; L1388-L1503 HydrophobicContact CD2-CD1 4.42Å |
| 1389 | E | 43.7 | Very low | 44.8 | Very low | 102 Ų | 102 | 78.8 Ų | 78.8 | 48% | 0.477 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 175.9 | -164.9 | 169.3 | -137.3 | 0 | 0 | 111.6 | V1385 Q1386 H1392 Q1393 | V1385-E1389 WeakPolarHBondContact O-CB 3.48Å; V1385-E1389 PolarHBondContact O-N 3.12Å; Q1386-E1389 PolarHBondContact O-N 2.83Å; E1389-H1392 PolarHBondContact O-N 2.87Å; E1389-Q1393 WeakPolarHBondContact O-CG 3.39Å; E1389-Q1393 PolarHBondContact O-N 2.98Å |
| 1390 | I | 44.3 | Very low | 43.3 | Very low | 93 Ų | 93 | 82.4 Ų | 82.4 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 171.1 | -69.9 | 163 | 0 | 0 | 0 | 111.4 | Q1386 H1392 Q1393 I1394 | Q1386-I1390 WeakPolarHBondContact O-CD1 3.31Å; Q1386-I1390 VanDerWaalsContact O-CG1 3.29Å; Q1386-I1390 WeakPolarHBondContact O-CG1 3.25Å; Q1386-I1390 PolarHBondContact O-N 3Å; I1390-H1392 VanDerWaalsContact C-N 3.31Å; I1390-H1392 PolarHBondContact O-N 2.74Å; I1390-Q1393 PolarHBondContact O-N 3.11Å; I1390-I1394 HydrophobicContact CG2-CD1 3.87Å; I1390-I1394 VanDerWaalsContact O-CG1 3.3Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.5Å; I1390-I1394 PolarHBondContact O-N 3.35Å |
| 1391 | I | 39.8 | Very low | 42 | Very low | 44 Ų | 44 | 91 Ų | 91 | 23% | 0.226 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 173.8 | -68.4 | 165.3 | 0 | 0 | 0 | 110.3 | Q1387 L1388 Q1393 I1394 T1395 L1530 | Q1387-I1391 WeakPolarHBondContact O-CG1 3.47Å; Q1387-I1391 PolarHBondContact O-N 2.93Å; Q1387-I1391 VanDerWaalsContact O-N 3.13Å; L1388-I1391 PolarHBondContact O-N 2.04Å; I1391-Q1393 PolarHBondContact O-N 3.07Å; I1391-I1394 PolarHBondContact O-N 3.11Å; I1391-T1395 PolarHBondContact O-N 3.41Å; I1391-T1395 PolarHBondContact O-OG1 3.06Å; I1391-L1530 HydrophobicContact CD1-CD2 3.99Å |
| 1392 | H | 39.5 | Very low | 40.5 | Very low | 102 Ų | 102 | 99.1 Ų | 99.1 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 176.3 | -169.3 | 62.1 | 0 | 0 | 0 | 111.8 | L1388 E1389 I1390 T1395 G1396 | L1388-H1392 WeakPolarHBondContact O-CB 3.44Å; L1388-H1392 PolarHBondContact O-N 2.75Å; E1389-H1392 PolarHBondContact O-N 2.87Å; I1390-H1392 VanDerWaalsContact C-N 3.31Å; I1390-H1392 PolarHBondContact O-N 2.74Å; H1392-T1395 WeakPolarHBondContact CA-OG1 3.37Å; H1392-T1395 PolarHBondContact O-N 3.16Å; H1392-T1395 PolarHBondContact O-OG1 2.74Å; H1392-G1396 PolarHBondContact O-N 3.43Å |
| 1393 | Q | 43.9 | Very low | 39.1 | Very low | 110 Ų | 110 | 101.6 Ų | 101.6 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 171.6 | -73.6 | 168.6 | 0.5 | 0 | 0 | 111.9 | E1389 I1390 I1391 T1395 G1396 D1397 | E1389-Q1393 WeakPolarHBondContact O-CG 3.39Å; E1389-Q1393 PolarHBondContact O-N 2.98Å; I1390-Q1393 PolarHBondContact O-N 3.11Å; I1391-Q1393 PolarHBondContact O-N 3.07Å; Q1393-T1395 VanDerWaalsContact C-N 3.25Å; Q1393-T1395 PolarHBondContact O-N 3.06Å; Q1393-G1396 PolarHBondContact O-N 3.23Å; Q1393-D1397 WeakPolarHBondContact O-CB 3.36Å; Q1393-D1397 PolarHBondContact O-N 2.93Å |
| 1394 | I | 37.8 | Very low | 37.6 | Very low | 109 Ų | 109 | 106.8 Ų | 106.8 | 56% | 0.559 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.7 | -33.8 | 176.4 | -68.9 | 164.6 | 0 | 0 | 0 | 111.8 | I1390 I1391 I1398 | I1390-I1394 HydrophobicContact CG2-CD1 3.87Å; I1390-I1394 VanDerWaalsContact O-CG1 3.3Å; I1390-I1394 WeakPolarHBondContact O-CG1 3.5Å; I1390-I1394 PolarHBondContact O-N 3.35Å; I1391-I1394 PolarHBondContact O-N 3.11Å; I1394-I1398 WeakPolarHBondContact O-CG1 3.29Å |
| 1395 | T | 36.4 | Very low | 36.3 | Very low | 47 Ų | 47 | 114 Ų | 114 | 29% | 0.288 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -79.3 | -29.8 | 172.6 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | I1391 H1392 Q1393 M1499 | I1391-T1395 PolarHBondContact O-N 3.41Å; I1391-T1395 PolarHBondContact O-OG1 3.06Å; H1392-T1395 WeakPolarHBondContact CA-OG1 3.37Å; H1392-T1395 PolarHBondContact O-N 3.16Å; H1392-T1395 PolarHBondContact O-OG1 2.74Å; Q1393-T1395 VanDerWaalsContact C-N 3.25Å; Q1393-T1395 PolarHBondContact O-N 3.06Å; T1395-M1499 HydrophobicContact CG2-SD 4.35Å |
| 1396 | G | 35.5 | Very low | 35.1 | Very low | 35 Ų | 35 | 117.5 Ų | 117.5 | 36% | 0.361 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.8 | -34 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H1392 Q1393 I1398 S1399 | H1392-G1396 PolarHBondContact O-N 3.43Å; Q1393-G1396 PolarHBondContact O-N 3.23Å; G1396-I1398 PolarHBondContact O-N 2.81Å; G1396-I1398 VanDerWaalsContact O-N 3.16Å; G1396-S1399 WeakPolarHBondContact O-CB 3.42Å; G1396-S1399 PolarHBondContact O-N 2.05Å; G1396-S1399 VanDerWaalsContact O-N 3.12Å; G1396-S1399 PolarHBondContact O-OG 2.94Å |
| 1397 | D | 34 | Very low | 33.8 | Very low | 126 Ų | 126 | 119.9 Ų | 119.9 | 67% | 0.674 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -4.7 | 175.2 | -73 | -12.9 | 0 | 0 | 0 | 113 | Q1393 S1399 | Q1393-D1397 WeakPolarHBondContact O-CB 3.36Å; Q1393-D1397 PolarHBondContact O-N 2.93Å; D1397-S1399 PolarHBondContact O-N 2.9Å |
| 1398 | I | 31.5 | Very low | 32.6 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 59% | 0.585 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 8.5 | 169.8 | -47.7 | 176.5 | 0 | 0 | 0 | 110.9 | I1394 G1396 F1400 | I1394-I1398 WeakPolarHBondContact O-CG1 3.29Å; G1396-I1398 PolarHBondContact O-N 2.81Å; G1396-I1398 VanDerWaalsContact O-N 3.16Å; I1398-F1400 PolarHBondContact O-N 3.43Å |
| 1399 | S | 27.7 | Very low | 31.6 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | trans | -77.8 | 39 | 176.5 | 54.3 | 0 | 0 | 0 | 0 | 114.8 | G1396 D1397 | G1396-S1399 WeakPolarHBondContact O-CB 3.42Å; G1396-S1399 PolarHBondContact O-N 2.05Å; G1396-S1399 VanDerWaalsContact O-N 3.12Å; G1396-S1399 PolarHBondContact O-OG 2.94Å; D1397-S1399 PolarHBondContact O-N 2.9Å | ||
| 1400 | F | 24.7 | Very low | 30.7 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | trans | -130.2 | 99.6 | 178.8 | -83.7 | -83.5 | 0 | 0 | 0 | 112.9 | I1398 | I1398-F1400 PolarHBondContact O-N 3.43Š| ||
| 1401 | F | 26.5 | Very low | 29.8 | Very low | 196 Ų | 196 | 133.7 Ų | 133.7 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | -170.4 | 101.8 | 115.5 | -99.5 | -68.1 | 0 | 0 | 0 | 108.6 | |||||
| 1402 | E | 23.3 | Very low | 29 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -78.9 | 124.2 | 163.7 | -64.8 | 174.6 | 130.9 | 0 | 0 | 107.9 | ||||
| 1403 | E | 25.8 | Very low | 28.3 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -119.5 | 98.4 | 160.7 | -74.2 | -170.6 | 154.4 | 0 | 0 | 107.4 | ||||
| 1404 | E | 25.5 | Very low | 27.3 | Very low | 177 Ų | 177 | 141.4 Ų | 141.4 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | trans | -68.3 | 142.9 | 165.6 | -56.7 | 175.4 | 116.8 | 0 | 0 | 109.2 | ||||
| 1405 | E | 24.2 | Very low | 26.7 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 95% | 0.949 | 72% | 0.723 | S | S | * | * | trans | -150.3 | 123 | 146 | -130.2 | 176.7 | -153.8 | 0 | 0 | 112.4 | ||||
| 1406 | D | 25 | Very low | 26.1 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | -72.1 | 153.5 | -173.5 | -70.4 | -69.7 | 0 | 0 | 0 | 114.6 | ||||
| 1407 | V | 24.8 | Very low | 25.5 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | trans | -140.4 | 100.6 | 144.8 | -173.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1408 | M | 24.5 | Very low | 25 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | -171.2 | 119.3 | 124.5 | -104 | -161.1 | -56.5 | 0 | 0 | 113.4 | |||||
| 1409 | D | 25.3 | Very low | 24.6 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | 25.2 | 108.9 | 147.1 | -60.7 | -24.4 | 0 | 0 | 0 | 119.7 | ||||
| 1410 | N | 25.2 | Very low | 24.4 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | -171.3 | 134.2 | 91.6 | -104.5 | -92.3 | 0 | 0 | 0 | 114.3 | |||||
| 1411 | R | 24.3 | Very low | 24.4 | Very low | 207 Ų | 207 | 147.2 Ų | 147.2 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | 71.3 | 111.6 | 144.9 | -65.5 | 166.3 | -162.7 | -161.2 | -1.3 | 120.2 | ||||
| 1412 | N | 23.7 | Very low | 24.2 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | trans | 84.3 | 108 | 130.2 | -64.4 | -10.6 | 0 | 0 | 0 | 119.5 | ||||
| 1413 | Q | 24.4 | Very low | 24.2 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 75.1 | 142.8 | 132.5 | -63.8 | 175.3 | 28.5 | 0 | 0 | 117.1 | ||||
| 1414 | V | 24.1 | Very low | 24.4 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | cis | -167.4 | 132.6 | -14.3 | 119.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1415 | S | 23.7 | Very low | 24.4 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | 55.1 | 149.4 | 157.2 | 72.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1416 | S | 24 | Very low | 24.5 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | cis | -178.8 | -178.3 | -11.4 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1417 | T | 23.7 | Very low | 24.4 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | 68.7 | 113.7 | 144.6 | 42.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1418 | N | 23.4 | Very low | 24.4 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | 88.3 | 130.6 | 129.4 | -57.9 | -9.9 | 0 | 0 | 0 | 120.4 | |||||
| 1419 | N | 23.2 | Very low | 24.3 | Very low | 139 Ų | 139 | 135 Ų | 135 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 31 | 138.8 | 121.3 | -47.4 | -9.6 | 0 | 0 | 0 | 118 | |||||
| 1420 | T | 22.8 | Very low | 24.3 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | cis | -165.7 | 172.9 | 35.4 | -24.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1421 | T | 25.2 | Very low | 24.2 | Very low | 112 Ų | 112 | 134 Ų | 134 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | trans | -37.2 | 150.6 | 159.7 | 54.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 1422 | I | 22.7 | Very low | 24.2 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | 172.3 | 129.5 | 120.9 | -92.3 | 160.1 | 0 | 0 | 0 | 114.5 | |||||
| 1423 | N | 22.8 | Very low | 24.5 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 58.1 | 160.6 | 148.8 | -64.1 | -1.1 | 0 | 0 | 0 | 125.7 | ||||
| 1424 | N | 30.6 | Very low | 24.8 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | -75.3 | -175.6 | 169.9 | -57.6 | -59.7 | 0 | 0 | 0 | 113.2 | ||||
| 1425 | T | 24.5 | Very low | 25 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | 68.3 | 109.6 | 173.6 | 65.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1426 | D | 26.3 | Very low | 25.1 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | -158.7 | 132.7 | 78.5 | -85.9 | -24.3 | 0 | 0 | 0 | 110.8 | |||||
| 1427 | L | 23.5 | Very low | 25.2 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | 70.4 | 127.2 | 85.9 | -69.9 | 173.9 | 0 | 0 | 0 | 116 | |||||
| 1428 | L | 24.8 | Very low | 25.3 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | 4.4 | 143.8 | 148.9 | -52.5 | 168 | 0 | 0 | 0 | 116.8 | ||||
| 1429 | N | 23.1 | Very low | 25.5 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | 172.2 | -174.8 | 66.5 | -159.1 | -4.8 | 0 | 0 | 0 | 111.2 | |||||
| 1430 | I | 23.5 | Very low | 25.6 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | 76.9 | 70.9 | 155.2 | -57.8 | 154.2 | 0 | 0 | 0 | 117.5 | ||||
| 1431 | S | 25 | Very low | 25.9 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | 45.4 | 140 | 111.5 | 71.9 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1432 | A | 24.4 | Very low | 26.1 | Very low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | 85.1 | 115.8 | 132.9 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1433 | S | 28.9 | Very low | 26.2 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | -154 | 119.4 | 125 | -29.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1434 | L | 29.9 | Very low | 26.3 | Very low | 157 Ų | 157 | 120.3 Ų | 120.3 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -92.5 | 153.2 | 155.9 | -97.6 | 85.3 | 0 | 0 | 0 | 108.2 | ||||
| 1435 | P | 30 | Very low | 25.9 | Very low | 117 Ų | 117 | 119.5 Ų | 119.5 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | -134.3 | 147.3 | 88.7 | 25.2 | -6.8 | 0 | 0 | 0 | 112.8 | |||||
| 1436 | S | 25.5 | Very low | 26 | Very low | 99 Ų | 99 | 119 Ų | 119 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | cis | 82 | 112.3 | 29.1 | 86.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1437 | G | 26.2 | Very low | 25.9 | Very low | 81 Ų | 81 | 116.4 Ų | 116.4 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | trans | 122.5 | 142.4 | 166 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1438 | A | 25.9 | Very low | 25.9 | Very low | 88 Ų | 88 | 114.7 Ų | 114.7 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -164.2 | 166.1 | -10.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1439 | S | 25.7 | Very low | 26 | Very low | 102 Ų | 102 | 115.7 Ų | 115.7 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | 44.3 | 135.4 | 146.5 | 58.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 1440 | T | 26.1 | Very low | 26.1 | Very low | 120 Ų | 120 | 114.1 Ų | 114.1 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | cis | -174 | 152.5 | 26.3 | -1.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1441 | I | 28.3 | Very low | 26.1 | Very low | 149 Ų | 149 | 112.7 Ų | 112.7 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | cis | 71.4 | 133.4 | 24.7 | -58.8 | 175 | 0 | 0 | 0 | 112.3 | ||||
| 1442 | P | 31.3 | Very low | 26.1 | Very low | 97 Ų | 97 | 116 Ų | 116 | 63% | 0.63 | 76% | 0.757 | S | S | * | * | cis | -134.8 | -175.8 | 0.1 | 33.4 | -11.3 | 0 | 0 | 0 | 115.7 | ||||
| 1443 | T | 23.2 | Very low | 26.1 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | trans | 59.6 | 156 | 145.1 | 50.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1444 | A | 24.9 | Very low | 25.9 | Very low | 82 Ų | 82 | 118.9 Ų | 118.9 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | cis | -158.2 | 153.6 | 33.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1445 | T | 23.7 | Very low | 25.6 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -12.6 | 149.2 | 144.6 | 60 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1446 | S | 25.8 | Very low | 25.3 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | cis | -167.8 | 164.1 | 44.6 | 51.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1447 | A | 24.2 | Very low | 25.2 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | -44.3 | 171.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1448 | T | 24.1 | Very low | 25.2 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | cis | -167.1 | 160.1 | 44.8 | 17.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1449 | Q | 25.4 | Very low | 25.2 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 63.6 | 125.8 | 151.4 | -67.7 | 164.2 | 34.8 | 0 | 0 | 117.8 | ||||
| 1450 | S | 25.3 | Very low | 25.3 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | cis | 175.7 | 162.1 | 36.6 | 44.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1451 | S | 24.9 | Very low | 25.5 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | 67 | 113.6 | 158.2 | 55.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1452 | M | 24.6 | Very low | 25.2 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | 79.2 | 97.5 | 141.6 | -63.7 | -173.7 | 178 | 0 | 0 | 121.6 | ||||
| 1453 | N | 24.1 | Very low | 24.9 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | 66.9 | 76.4 | 136.5 | -59.3 | 8.4 | 0 | 0 | 0 | 119 | ||||
| 1454 | S | 25.9 | Very low | 24.9 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -152.7 | 149.9 | 155.9 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1455 | N | 23.4 | Very low | 25 | Very low | 143 Ų | 143 | 135.2 Ų | 135.2 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | 25.8 | 138.3 | 148.9 | -61.8 | -4.7 | 0 | 0 | 0 | 122.5 | ||||
| 1456 | I | 23.9 | Very low | 25.1 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 72.4 | 122 | 154.8 | -59.9 | 153.5 | 0 | 0 | 0 | 116.1 | ||||
| 1457 | D | 23.1 | Very low | 25.2 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | trans | -160.1 | 160 | 132.8 | -103 | -28.8 | 0 | 0 | 0 | 109.4 | ||||
| 1458 | E | 25.9 | Very low | 25.1 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | -132.7 | 165.5 | -171.1 | -160 | -177 | -175.8 | 0 | 0 | 111 | ||||
| 1459 | L | 24.8 | Very low | 25.1 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 71% | 0.707 | 76% | 0.762 | S | S | * | * | trans | 80.6 | 133.8 | 164.9 | -55.2 | 174.8 | 0 | 0 | 0 | 120.3 | ||||
| 1460 | D | 28.9 | Very low | 25.1 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 71.2 | 160.6 | 141.2 | -77.7 | 9.5 | 0 | 0 | 0 | 120 | ||||
| 1461 | P | 29.8 | Very low | 24.9 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | cis | -137.4 | 157.8 | 18.7 | 35 | -13.6 | 0 | 0 | 0 | 119.9 | ||||
| 1462 | L | 21.7 | Very low | 24.8 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | 56.5 | 129.3 | 141 | -62.5 | 166.1 | 0 | 0 | 0 | 121.2 | ||||
| 1463 | F | 24.7 | Very low | 24.8 | Very low | 185 Ų | 185 | 131.7 Ų | 131.7 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | 172.5 | 98 | 106 | -98.6 | -73.1 | 0 | 0 | 0 | 113.9 | |||||
| 1464 | S | 23 | Very low | 24.8 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | 41.2 | 121.1 | 129.7 | -47.1 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1465 | T | 27.1 | Very low | 24.8 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | -161.9 | 128.2 | 113.6 | 9.8 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1466 | E | 26.8 | Very low | 24.9 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | trans | -84.7 | 153.9 | 167.2 | -93.7 | -107.2 | -171.1 | 0 | 0 | 109.6 | S1468 | E1466-S1468 PolarHBondContact OE2-N 3.07Š| ||
| 1467 | P | 27.1 | Very low | 25 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | -148.7 | 115.2 | 94.4 | 34.6 | -14.9 | 0 | 0 | 0 | 116.9 | |||||
| 1468 | S | 22.4 | Very low | 25.1 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 56% | 0.559 | 72% | 0.724 | S | S | * | * | 43.7 | 116.8 | 118 | 71.5 | 0 | 0 | 0 | 0 | 121.4 | E1466 | E1466-S1468 PolarHBondContact OE2-N 3.07Š| |||
| 1469 | S | 25.1 | Very low | 25.2 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | 57.3 | 103.2 | 132.7 | 66.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1470 | S | 23.7 | Very low | 25.5 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | -156.8 | 117.1 | 130.3 | -20.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1471 | S | 22.7 | Very low | 25.6 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | 70.1 | 148.1 | 62 | 82.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1472 | L | 22.7 | Very low | 25.6 | Very low | 163 Ų | 163 | 119.5 Ų | 119.5 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | trans | 73.5 | 130.8 | -174.1 | -51.2 | 165.5 | 0 | 0 | 0 | 114.6 | ||||
| 1473 | S | 24.4 | Very low | 26.3 | Very low | 88 Ų | 88 | 119.1 Ų | 119.1 | 62% | 0.615 | 68% | 0.676 | S | S | * | * | cis | 158 | 146.7 | -23 | 45.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1474 | S | 23.9 | Very low | 26.7 | Very low | 100 Ų | 100 | 116 Ų | 116 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | trans | 47.1 | 75.8 | 162.6 | 61.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1475 | V | 24.9 | Very low | 27.1 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 85% | 0.848 | 66% | 0.662 | S | S | * | * | trans | -92 | 121.7 | 143.3 | -178 | 0 | 0 | 0 | 0 | 106.4 | R1477 | V1475-R1477 PolarHBondContact O-N 2.84Š| ||
| 1476 | N | 26.2 | Very low | 27.5 | Very low | 90 Ų | 90 | 120.3 Ų | 120.3 | 48% | 0.481 | 66% | 0.655 | S | S | . | * | trans | -72.4 | 118.2 | -164.3 | -77.8 | -22 | 0 | 0 | 0 | 112.7 | T1478 N1479 | N1476-T1478 PolarHBondContact O-N 3.5Å; N1476-N1479 PolarHBondContact O-N 3.47Å | ||
| 1477 | R | 26.3 | Very low | 27.9 | Very low | 237 Ų | 237 | 114.7 Ų | 114.7 | 89% | 0.894 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 28.2 | 169.2 | -65.5 | -175 | 172.9 | -168.8 | -3.9 | 114.2 | V1475 | V1475-R1477 PolarHBondContact O-N 2.84Š|
| 1478 | T | 26.1 | Very low | 28.3 | Very low | 88 Ų | 88 | 113 Ų | 113 | 54% | 0.54 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -135.8 | -10.6 | -173.9 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | N1476 N1482 | N1476-T1478 PolarHBondContact O-N 3.5Å; T1478-N1482 PolarHBondContact O-ND2 3.43Å |
| 1479 | N | 27.1 | Very low | 29.1 | Very low | 101 Ų | 101 | 115.3 Ų | 115.3 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -83.2 | -46.3 | 179.1 | -79.9 | -1.1 | 0 | 0 | 0 | 112.2 | N1476 I1481 N1482 | N1476-N1479 PolarHBondContact O-N 3.47Å; N1479-I1481 PolarHBondContact O-N 3.31Å; N1479-N1482 WeakPolarHBondContact O-CB 3.01Å; N1479-N1482 PolarHBondContact O-N 3Å; N1479-N1482 PolarHBondContact O-ND2 2.7Å |
| 1480 | D | 30.2 | Very low | 29.7 | Very low | 103 Ų | 103 | 112.8 Ų | 112.8 | 55% | 0.551 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -19.2 | -173.5 | -53.7 | -57.3 | 0 | 0 | 0 | 114 | N1482 L1483 | D1480-N1482 PolarHBondContact O-N 2.94Å; D1480-N1482 VanDerWaalsContact O-N 3.12Å; D1480-L1483 HydrophobicContact CB-CD1 4.47Å; D1480-L1483 PolarHBondContact O-N 3.15Å |
| 1481 | I | 31.6 | Very low | 30.5 | Very low | 100 Ų | 100 | 115.9 Ų | 115.9 | 51% | 0.513 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -57.3 | -25.7 | 170.6 | -58.4 | 178.2 | 0 | 0 | 0 | 110.9 | N1479 W1484 R1485 | N1479-I1481 PolarHBondContact O-N 3.31Å; I1481-W1484 PolarHBondContact O-N 3.15Å; I1481-R1485 PolarHBondContact O-N 2.79Å |
| 1482 | N | 29.4 | Very low | 31.4 | Very low | 69 Ų | 69 | 112.9 Ų | 112.9 | 37% | 0.369 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.8 | -17.2 | 177 | -59.2 | -71.5 | 0 | 0 | 0 | 114.2 | T1478 N1479 D1480 R1485 | T1478-N1482 PolarHBondContact O-ND2 3.43Å; N1479-N1482 WeakPolarHBondContact O-CB 3.01Å; N1479-N1482 PolarHBondContact O-N 3Å; N1479-N1482 PolarHBondContact O-ND2 2.7Å; D1480-N1482 PolarHBondContact O-N 2.94Å; D1480-N1482 VanDerWaalsContact O-N 3.12Å; N1482-R1485 PolarHBondContact OD1-NH1 3.48Å |
| 1483 | L | 36.9 | Very low | 32.4 | Very low | 123 Ų | 123 | 109.2 Ų | 109.2 | 64% | 0.644 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.7 | -39 | 170 | -77.1 | 91.1 | 0 | 0 | 0 | 110.7 | D1480 | D1480-L1483 HydrophobicContact CB-CD1 4.47Å; D1480-L1483 PolarHBondContact O-N 3.15Å |
| 1484 | W | 34.1 | Very low | 33.3 | Very low | 121 Ų | 121 | 108 Ų | 108 | 46% | 0.458 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -74.5 | -25.8 | 179.7 | -64.1 | 96.8 | 0 | 0 | 0 | 113.5 | I1481 N1486 V1487 L1492 M1495 | I1481-W1484 PolarHBondContact O-N 3.15Å; W1484-N1486 PolarHBondContact O-N 3.19Å; W1484-N1486 VanDerWaalsContact O-N 3.12Å; W1484-V1487 HydrophobicContact CE3-CG2 4.15Å; W1484-V1487 WeakPolarHBondContact O-CB 3.49Å; W1484-V1487 PolarHBondContact O-N 3.37Å; W1484-L1492 HydrophobicContact CE3-CD1 3.45Å; W1484-L1492 VanDerWaalsContact CE3-CD1 3.45Å; W1484-L1492 HydrophobicContact CZ3-CD1 3.75Å; W1484-M1495 HydrophobicContact CH2-CE 4.11Å; W1484-M1495 HydrophobicContact CZ3-CE 3.89Å |
| 1485 | R | 31.5 | Very low | 34.2 | Very low | 187 Ų | 187 | 106.3 Ų | 106.3 | 71% | 0.706 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.1 | 174.9 | -90.8 | -179.9 | 162.7 | 160.8 | -7.1 | 114.9 | I1481 N1482 | I1481-R1485 PolarHBondContact O-N 2.79Å; N1482-R1485 PolarHBondContact OD1-NH1 3.48Å |
| 1486 | N | 34.7 | Very low | 35.2 | Very low | 142 Ų | 142 | 101.9 Ų | 101.9 | 76% | 0.759 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -0.2 | 179.6 | -66.9 | -25.9 | 0 | 0 | 0 | 113.3 | W1484 P1488 | W1484-N1486 PolarHBondContact O-N 3.19Å; W1484-N1486 VanDerWaalsContact O-N 3.12Å; N1486-P1488 WeakPolarHBondContact O-CD 3.49Å |
| 1487 | V | 35.2 | Very low | 36.1 | Very low | 40 Ų | 40 | 102.6 Ų | 102.6 | 24% | 0.242 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -83.7 | 119.7 | 173.4 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | W1484 L1489 R1491 L1492 | W1484-V1487 HydrophobicContact CE3-CG2 4.15Å; W1484-V1487 WeakPolarHBondContact O-CB 3.49Å; W1484-V1487 PolarHBondContact O-N 3.37Å; V1487-L1489 PolarHBondContact O-N 3.42Å; V1487-R1491 HydrophobicContact CG1-CB 4.1Å; V1487-R1491 HydrophobicContact CG1-CG 4.45Å; V1487-L1492 HydrophobicContact CB-CD1 4.45Å; V1487-L1492 HydrophobicContact CG1-CB 4.09Å; V1487-L1492 HydrophobicContact CG1-CD1 4.14Å |
| 1488 | P | 36.2 | Very low | 37.1 | Very low | 79 Ų | 79 | 97.2 Ų | 97.2 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | trans | -57.3 | 138.4 | 178.1 | -24.8 | 33.9 | 0 | 0 | 0 | 111.2 | N1486 G1490 R1491 L1492 | N1486-P1488 WeakPolarHBondContact O-CD 3.49Å; P1488-G1490 VanDerWaalsContact C-N 3.26Å; P1488-G1490 PolarHBondContact O-N 2.77Å; P1488-G1490 VanDerWaalsContact O-N 3.14Å; P1488-R1491 HydrophobicContact CB-CB 4.17Å; P1488-R1491 HydrophobicContact CG-CB 4.43Å; P1488-R1491 CarbonylContact O-C 3.54Å; P1488-R1491 VanDerWaalsContact O-CA 3.31Å; P1488-R1491 WeakPolarHBondContact O-CA 3.45Å; P1488-R1491 VanDerWaalsContact O-CB 3.25Å; P1488-R1491 WeakPolarHBondContact O-CB 3.32Å; P1488-R1491 PolarHBondContact O-N 3Å; P1488-L1492 PolarHBondContact O-N 3.45Å | ||
| 1489 | L | 37.4 | Very low | 38.1 | Very low | 128 Ų | 128 | 95.3 Ų | 95.3 | 67% | 0.67 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -55.4 | -39.1 | -172.7 | -167.5 | 70.6 | 0 | 0 | 0 | 113.1 | V1487 R1491 L1492 L1493 | V1487-L1489 PolarHBondContact O-N 3.42Å; L1489-R1491 VanDerWaalsContact C-N 3.31Å; L1489-R1491 PolarHBondContact O-N 2.98Å; L1489-L1492 HydrophobicContact CD1-CD2 4.45Å; L1489-L1492 WeakPolarHBondContact O-CB 3.05Å; L1489-L1492 PolarHBondContact O-N 2.98Å; L1489-L1493 HydrophobicContact CG-CD1 4.14Å; L1489-L1493 WeakPolarHBondContact O-CB 3.3Å; L1489-L1493 WeakPolarHBondContact O-CG 3.34Å; L1489-L1493 PolarHBondContact O-N 3.43Å |
| 1490 | G | 39.2 | Very low | 39.2 | Very low | 55 Ų | 55 | 96 Ų | 96 | 57% | 0.567 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.1 | -27 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1488 S1494 | P1488-G1490 VanDerWaalsContact C-N 3.26Å; P1488-G1490 PolarHBondContact O-N 2.77Å; P1488-G1490 VanDerWaalsContact O-N 3.14Å; G1490-S1494 WeakPolarHBondContact O-CB 3.47Å; G1490-S1494 PolarHBondContact O-N 2.92Å |
| 1491 | R | 40.3 | Very low | 40.1 | Very low | 175 Ų | 175 | 93.9 Ų | 93.9 | 66% | 0.66 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -76.3 | -38.9 | 173.3 | -159.1 | 173.8 | -169.2 | 155.2 | 0.8 | 110.6 | V1487 P1488 L1489 S1494 M1495 | V1487-R1491 HydrophobicContact CG1-CB 4.1Å; V1487-R1491 HydrophobicContact CG1-CG 4.45Å; P1488-R1491 HydrophobicContact CB-CB 4.17Å; P1488-R1491 HydrophobicContact CG-CB 4.43Å; P1488-R1491 CarbonylContact O-C 3.54Å; P1488-R1491 VanDerWaalsContact O-CA 3.31Å; P1488-R1491 WeakPolarHBondContact O-CA 3.45Å; P1488-R1491 VanDerWaalsContact O-CB 3.25Å; P1488-R1491 WeakPolarHBondContact O-CB 3.32Å; P1488-R1491 PolarHBondContact O-N 3Å; L1489-R1491 VanDerWaalsContact C-N 3.31Å; L1489-R1491 PolarHBondContact O-N 2.98Å; R1491-S1494 PolarHBondContact O-N 3.22Å; R1491-M1495 WeakPolarHBondContact O-CG 3.17Å; R1491-M1495 PolarHBondContact O-N 2.84Å |
| 1492 | L | 40.8 | Very low | 40.9 | Very low | 41 Ų | 41 | 90.4 Ų | 90.4 | 22% | 0.215 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.5 | -51.3 | 172.7 | -165.1 | 78.7 | 0 | 0 | 0 | 111.3 | W1484 V1487 P1488 L1489 S1494 M1495 I1496 | W1484-L1492 HydrophobicContact CE3-CD1 3.45Å; W1484-L1492 VanDerWaalsContact CE3-CD1 3.45Å; W1484-L1492 HydrophobicContact CZ3-CD1 3.75Å; V1487-L1492 HydrophobicContact CB-CD1 4.45Å; V1487-L1492 HydrophobicContact CG1-CB 4.09Å; V1487-L1492 HydrophobicContact CG1-CD1 4.14Å; P1488-L1492 PolarHBondContact O-N 3.45Å; L1489-L1492 HydrophobicContact CD1-CD2 4.45Å; L1489-L1492 WeakPolarHBondContact O-CB 3.05Å; L1489-L1492 PolarHBondContact O-N 2.98Å; L1492-S1494 VanDerWaalsContact C-N 3.3Å; L1492-S1494 PolarHBondContact O-N 2.87Å; L1492-M1495 WeakPolarHBondContact O-CA 3.11Å; L1492-M1495 WeakPolarHBondContact O-CB 3.05Å; L1492-M1495 PolarHBondContact O-N 2.98Å; L1492-I1496 HydrophobicContact CG-CD1 4.23Å; L1492-I1496 WeakPolarHBondContact O-CG1 3.13Å; L1492-I1496 PolarHBondContact O-N 3.39Å |
| 1493 | L | 43.5 | Very low | 41.9 | Very low | 86 Ų | 86 | 89.4 Ų | 89.4 | 45% | 0.45 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 175.5 | -70.7 | 166.2 | 0 | 0 | 0 | 112 | L1489 M1495 I1496 N1497 | L1489-L1493 HydrophobicContact CG-CD1 4.14Å; L1489-L1493 WeakPolarHBondContact O-CB 3.3Å; L1489-L1493 WeakPolarHBondContact O-CG 3.34Å; L1489-L1493 PolarHBondContact O-N 3.43Å; L1493-M1495 VanDerWaalsContact C-N 3.28Å; L1493-M1495 PolarHBondContact O-N 2.67Å; L1493-I1496 PolarHBondContact O-N 3.4Å; L1493-N1497 WeakPolarHBondContact O-CB 3.34Å; L1493-N1497 PolarHBondContact O-N 3.4Å |
| 1494 | S | 44.3 | Very low | 42.5 | Very low | 64 Ų | 64 | 87.9 Ų | 87.9 | 45% | 0.448 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.2 | -24.5 | 172.7 | -177.6 | 0 | 0 | 0 | 0 | 113.6 | G1490 R1491 L1492 K1498 | G1490-S1494 WeakPolarHBondContact O-CB 3.47Å; G1490-S1494 PolarHBondContact O-N 2.92Å; R1491-S1494 PolarHBondContact O-N 3.22Å; L1492-S1494 VanDerWaalsContact C-N 3.3Å; L1492-S1494 PolarHBondContact O-N 2.87Å; S1494-K1498 WeakPolarHBondContact O-CB 2.95Å; S1494-K1498 WeakPolarHBondContact O-CG 3.47Å; S1494-K1498 PolarHBondContact O-N 3.02Å |
| 1495 | M | 42.1 | Very low | 43.1 | Very low | 63 Ų | 63 | 85.4 Ų | 85.4 | 31% | 0.31 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -78.7 | -43.2 | 171.7 | -73.2 | 168.5 | 62.9 | 0 | 0 | 111.1 | W1484 R1491 L1492 L1493 K1498 M1499 | W1484-M1495 HydrophobicContact CH2-CE 4.11Å; W1484-M1495 HydrophobicContact CZ3-CE 3.89Å; R1491-M1495 WeakPolarHBondContact O-CG 3.17Å; R1491-M1495 PolarHBondContact O-N 2.84Å; L1492-M1495 WeakPolarHBondContact O-CA 3.11Å; L1492-M1495 WeakPolarHBondContact O-CB 3.05Å; L1492-M1495 PolarHBondContact O-N 2.98Å; L1493-M1495 VanDerWaalsContact C-N 3.28Å; L1493-M1495 PolarHBondContact O-N 2.67Å; M1495-K1498 PolarHBondContact O-N 2.92Å; M1495-M1499 WeakPolarHBondContact O-CG 3.12Å; M1495-M1499 PolarHBondContact O-N 3.13Å |
| 1496 | I | 46.5 | Very low | 43.8 | Very low | 48 Ų | 48 | 78.1 Ų | 78.1 | 25% | 0.246 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.3 | -50.7 | 177.6 | -66.2 | 164.2 | 0 | 0 | 0 | 110.6 | L1492 L1493 K1498 M1499 Q1500 | L1492-I1496 HydrophobicContact CG-CD1 4.23Å; L1492-I1496 WeakPolarHBondContact O-CG1 3.13Å; L1492-I1496 PolarHBondContact O-N 3.39Å; L1493-I1496 PolarHBondContact O-N 3.4Å; I1496-K1498 PolarHBondContact O-N 3.03Å; I1496-M1499 WeakPolarHBondContact O-CB 3.46Å; I1496-M1499 PolarHBondContact O-N 2.86Å; I1496-M1499 VanDerWaalsContact O-N 3.09Å; I1496-Q1500 WeakPolarHBondContact O-CB 3.45Å; I1496-Q1500 PolarHBondContact O-N 2.78Å |
| 1497 | N | 44.3 | Very low | 44.3 | Very low | 105 Ų | 105 | 77.7 Ų | 77.7 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.5 | -30.4 | 177.4 | -70.5 | -15.4 | 0 | 0 | 0 | 112.6 | L1493 S1501 | L1493-N1497 WeakPolarHBondContact O-CB 3.34Å; L1493-N1497 PolarHBondContact O-N 3.4Å; N1497-S1501 PolarHBondContact O-N 3.34Å |
| 1498 | K | 47.9 | Very low | 44.8 | Very low | 124 Ų | 124 | 81 Ų | 81 | 54% | 0.539 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -73.5 | -43.1 | 171.8 | -86.4 | -178.5 | 170.3 | -177.5 | 0 | 112.6 | S1494 M1495 I1496 Q1500 L1502 | S1494-K1498 WeakPolarHBondContact O-CB 2.95Å; S1494-K1498 WeakPolarHBondContact O-CG 3.47Å; S1494-K1498 PolarHBondContact O-N 3.02Å; M1495-K1498 PolarHBondContact O-N 2.92Å; I1496-K1498 PolarHBondContact O-N 3.03Å; K1498-Q1500 PolarHBondContact O-N 3.13Å; K1498-L1502 WeakPolarHBondContact O-CB 3.33Å; K1498-L1502 WeakPolarHBondContact O-CD1 3.35Å; K1498-L1502 WeakPolarHBondContact O-CG 3.44Å; K1498-L1502 PolarHBondContact O-N 2.86Å |
| 1499 | M | 46.6 | Very low | 45.1 | Very low | 47 Ų | 47 | 77.8 Ų | 77.8 | 23% | 0.232 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 173.7 | -77 | 176 | 165.7 | 0 | 0 | 110.8 | T1395 M1495 I1496 L1502 L1503 V1529 | T1395-M1499 HydrophobicContact CG2-SD 4.35Å; M1495-M1499 WeakPolarHBondContact O-CG 3.12Å; M1495-M1499 PolarHBondContact O-N 3.13Å; I1496-M1499 WeakPolarHBondContact O-CB 3.46Å; I1496-M1499 PolarHBondContact O-N 2.86Å; I1496-M1499 VanDerWaalsContact O-N 3.09Å; M1499-L1502 PolarHBondContact O-N 2.91Å; M1499-L1503 WeakPolarHBondContact O-CB 3.39Å; M1499-L1503 PolarHBondContact O-N 3.42Å; M1499-V1529 HydrophobicContact CE-CG1 3.41Å; M1499-V1529 VanDerWaalsContact CE-CG1 3.41Å |
| 1500 | Q | 49.9 | Very low | 45.2 | Very low | 117 Ų | 117 | 73.1 Ų | 73.1 | 55% | 0.547 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70.6 | -48.5 | -176.3 | -159.1 | 159.3 | 3.7 | 0 | 0 | 112.1 | I1496 K1498 L1502 L1503 D1504 | I1496-Q1500 WeakPolarHBondContact O-CB 3.45Å; I1496-Q1500 PolarHBondContact O-N 2.78Å; K1498-Q1500 PolarHBondContact O-N 3.13Å; Q1500-L1502 VanDerWaalsContact C-N 3.35Å; Q1500-L1502 PolarHBondContact O-N 2.88Å; Q1500-L1503 PolarHBondContact O-N 3.5Å; Q1500-L1503 VanDerWaalsContact O-N 3.14Å; Q1500-D1504 PolarHBondContact O-N 2.87Å |
| 1501 | S | 50.5 | Low | 45.5 | Very low | 58 Ų | 58 | 71 Ų | 71 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 170.8 | 127.5 | 0 | 0 | 0 | 0 | 111.3 | N1497 L1503 D1504 D1505 | N1497-S1501 PolarHBondContact O-N 3.34Å; S1501-L1503 PolarHBondContact O-N 3.2Å; S1501-L1503 VanDerWaalsContact O-N 3.15Å; S1501-D1504 PolarHBondContact O-N 3.08Å; S1501-D1504 VanDerWaalsContact O-N 3.15Å; S1501-D1505 VanDerWaalsContact O-CB 3.29Å; S1501-D1505 WeakPolarHBondContact O-CB 3.18Å; S1501-D1505 PolarHBondContact O-N 3.3Å; S1501-D1505 PolarHBondContact OG-OD2 2.87Å |
| 1502 | L | 46.9 | Very low | 45.5 | Very low | 26 Ų | 26 | 62.7 Ų | 62.7 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.2 | -13.7 | -179.5 | -66.1 | 172.5 | 0 | 0 | 0 | 113.7 | K1498 M1499 Q1500 L1506 I1511 V1523 L1526 | K1498-L1502 WeakPolarHBondContact O-CB 3.33Å; K1498-L1502 WeakPolarHBondContact O-CD1 3.35Å; K1498-L1502 WeakPolarHBondContact O-CG 3.44Å; K1498-L1502 PolarHBondContact O-N 2.86Å; M1499-L1502 PolarHBondContact O-N 2.91Å; Q1500-L1502 VanDerWaalsContact C-N 3.35Å; Q1500-L1502 PolarHBondContact O-N 2.88Å; L1502-L1506 WeakPolarHBondContact O-CB 3.29Å; L1502-I1511 HydrophobicContact CB-CD1 4.38Å; L1502-I1511 HydrophobicContact CD2-CD1 3.87Å; L1502-I1511 WeakPolarHBondContact O-CD1 3.43Å; L1502-V1523 HydrophobicContact CD1-CG1 3.8Å; L1502-V1523 HydrophobicContact CD2-CG1 3.68Å; L1502-V1523 HydrophobicContact CD2-CG2 4.12Å; L1502-V1523 HydrophobicContact CG-CG1 4.33Å; L1502-L1526 HydrophobicContact CB-CD1 4.07Å; L1502-L1526 HydrophobicContact CD1-CD1 4.22Å; L1502-L1526 HydrophobicContact CD1-CG 4.08Å |
| 1503 | L | 50.3 | Low | 45.6 | Very low | 48 Ų | 48 | 63.2 Ų | 63.2 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -86.6 | -43.1 | 170.9 | -162.5 | 71.2 | 0 | 0 | 0 | 110.6 | L1388 M1499 Q1500 S1501 L1506 L1507 | L1388-L1503 HydrophobicContact CD2-CD1 4.42Å; M1499-L1503 WeakPolarHBondContact O-CB 3.39Å; M1499-L1503 PolarHBondContact O-N 3.42Å; Q1500-L1503 PolarHBondContact O-N 3.5Å; Q1500-L1503 VanDerWaalsContact O-N 3.14Å; S1501-L1503 PolarHBondContact O-N 3.2Å; S1501-L1503 VanDerWaalsContact O-N 3.15Å; L1503-L1506 PolarHBondContact O-N 2.86Å; L1503-L1507 HydrophobicContact CG-CD1 4.13Å; L1503-L1507 WeakPolarHBondContact O-CB 3.4Å; L1503-L1507 VanDerWaalsContact O-CG 3.3Å; L1503-L1507 WeakPolarHBondContact O-CG 3.32Å; L1503-L1507 PolarHBondContact O-N 2.84Å |
| 1504 | D | 49.4 | Very low | 45.5 | Very low | 92 Ų | 92 | 64 Ų | 64 | 49% | 0.492 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 173.5 | -69.9 | -33.5 | 0 | 0 | 0 | 111.4 | Q1500 S1501 L1506 L1507 T1508 | Q1500-D1504 PolarHBondContact O-N 2.87Å; S1501-D1504 PolarHBondContact O-N 3.08Å; S1501-D1504 VanDerWaalsContact O-N 3.15Å; D1504-L1506 PolarHBondContact O-N 3.06Å; D1504-L1507 PolarHBondContact O-N 2.76Å; D1504-T1508 WeakPolarHBondContact O-CB 3.35Å; D1504-T1508 WeakPolarHBondContact O-CG2 3.25Å; D1504-T1508 PolarHBondContact O-N 3.17Å; D1504-T1508 PolarHBondContact O-OG1 2.81Å |
| 1505 | D | 48.3 | Very low | 45.2 | Very low | 68 Ų | 68 | 62.8 Ų | 62.8 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -23.1 | 176.3 | -68.5 | -43.2 | 0 | 0 | 0 | 112.4 | S1501 T1508 G1510 I1511 | S1501-D1505 VanDerWaalsContact O-CB 3.29Å; S1501-D1505 WeakPolarHBondContact O-CB 3.18Å; S1501-D1505 PolarHBondContact O-N 3.3Å; S1501-D1505 PolarHBondContact OG-OD2 2.87Å; D1505-T1508 WeakPolarHBondContact CA-OG1 3.31Å; D1505-T1508 PolarHBondContact O-OG1 2.81Å; D1505-G1510 CarbonylContact O-C 3.57Å; D1505-G1510 WeakPolarHBondContact O-CA 3.33Å; D1505-G1510 PolarHBondContact O-N 3.22Å; D1505-I1511 HydrophobicContact CB-CD1 3.42Å; D1505-I1511 VanDerWaalsContact CB-CD1 3.42Å; D1505-I1511 HydrophobicContact CB-CG1 3.87Å; D1505-I1511 PolarHBondContact O-N 3.4Å |
| 1506 | L | 45.4 | Very low | 44.9 | Very low | 34 Ų | 34 | 60.2 Ų | 60.2 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -90.6 | -37.7 | 179.1 | -164.8 | 158.3 | 0 | 0 | 0 | 111.4 | L1502 L1503 D1504 G1509 I1511 L1513 | L1502-L1506 WeakPolarHBondContact O-CB 3.29Å; L1503-L1506 PolarHBondContact O-N 2.86Å; D1504-L1506 PolarHBondContact O-N 3.06Å; L1506-G1509 PolarHBondContact O-N 2.71Å; L1506-I1511 HydrophobicContact CB-CB 4.38Å; L1506-I1511 HydrophobicContact CB-CD1 4.11Å; L1506-L1513 HydrophobicContact CD1-CD1 4.04Å; L1506-L1513 HydrophobicContact CD1-CD2 4.09Å; L1506-L1513 HydrophobicContact CD1-CG 4.13Å; L1506-L1513 HydrophobicContact CG-CD1 4.45Å |
| 1507 | L | 44.8 | Very low | 44.6 | Very low | 133 Ų | 133 | 63.1 Ų | 63.1 | 70% | 0.696 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -75.1 | -32.4 | 175.9 | -69.9 | 170.5 | 0 | 0 | 0 | 113.2 | L1503 D1504 G1509 | L1503-L1507 HydrophobicContact CG-CD1 4.13Å; L1503-L1507 WeakPolarHBondContact O-CB 3.4Å; L1503-L1507 VanDerWaalsContact O-CG 3.3Å; L1503-L1507 WeakPolarHBondContact O-CG 3.32Å; L1503-L1507 PolarHBondContact O-N 2.84Å; D1504-L1507 PolarHBondContact O-N 2.76Å; L1507-G1509 PolarHBondContact O-N 2.68Å |
| 1508 | T | 45.7 | Very low | 44.1 | Very low | 109 Ų | 109 | 61.5 Ų | 61.5 | 67% | 0.669 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.9 | 169.8 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | D1504 D1505 | D1504-T1508 WeakPolarHBondContact O-CB 3.35Å; D1504-T1508 WeakPolarHBondContact O-CG2 3.25Å; D1504-T1508 PolarHBondContact O-N 3.17Å; D1504-T1508 PolarHBondContact O-OG1 2.81Å; D1505-T1508 WeakPolarHBondContact CA-OG1 3.31Å; D1505-T1508 PolarHBondContact O-OG1 2.81Å |
| 1509 | G | 42.7 | Very low | 43.7 | Very low | 12 Ų | 12 | 57.4 Ų | 57.4 | 12% | 0.124 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 17 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P1370 L1506 L1507 | P1370-G1509 WeakPolarHBondContact CD-O 3.39Å; L1506-G1509 PolarHBondContact O-N 2.71Å; L1507-G1509 PolarHBondContact O-N 2.68Å |
| 1510 | G | 40.8 | Very low | 43.5 | Very low | 31 Ų | 31 | 61.8 Ų | 61.8 | 32% | 0.32 | 36% | 0.361 | S | S | . | . | trans | -76.8 | -23.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1505 | D1505-G1510 CarbonylContact O-C 3.57Å; D1505-G1510 WeakPolarHBondContact O-CA 3.33Å; D1505-G1510 PolarHBondContact O-N 3.22Å | ||
| 1511 | I | 44.2 | Very low | 42.7 | Very low | 10 Ų | 10 | 61.4 Ų | 61.4 | 5% | 0.051 | 36% | 0.362 | C | S | . | . | trans | -96 | 131.5 | -179.5 | -69.9 | 166.3 | 0 | 0 | 0 | 112.2 | L1502 D1505 L1506 L1513 V1523 | L1502-I1511 HydrophobicContact CB-CD1 4.38Å; L1502-I1511 HydrophobicContact CD2-CD1 3.87Å; L1502-I1511 WeakPolarHBondContact O-CD1 3.43Å; D1505-I1511 HydrophobicContact CB-CD1 3.42Å; D1505-I1511 VanDerWaalsContact CB-CD1 3.42Å; D1505-I1511 HydrophobicContact CB-CG1 3.87Å; D1505-I1511 PolarHBondContact O-N 3.4Å; L1506-I1511 HydrophobicContact CB-CB 4.38Å; L1506-I1511 HydrophobicContact CB-CD1 4.11Å; I1511-L1513 HydrophobicContact CG2-CG 4.37Å; I1511-V1523 HydrophobicContact CB-CG2 4.35Å; I1511-V1523 HydrophobicContact CD1-CG2 3.81Å; I1511-V1523 HydrophobicContact CG1-CG2 3.74Å; I1511-V1523 HydrophobicContact CG2-CG2 3.7Å | ||
| 1512 | C | 41.6 | Very low | 42.3 | Very low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -105.3 | 95.7 | 169.9 | -45.9 | 0 | 0 | 0 | 0 | 108.4 | C1371 D1514 G1515 C1516 C1519 | C1371-C1512 HydrophobicContact CB-CB 4.32Å; C1371-C1512 WeakPolarHBondContact CB-SG 3.2Å; C1371-C1512 WeakPolarHBondContact SG-CB 3.27Å; C1371-C1512 CovalentContact SG-SG 2.05Å; C1371-C1512 PolarHBondContact SG-SG 3.17Å; C1512-D1514 VanDerWaalsContact C-N 3.31Å; C1512-D1514 PolarHBondContact O-N 3.19Å; C1512-G1515 PolarHBondContact O-N 3.12Å; C1512-C1516 HydrophobicContact CB-CB 3.78Å; C1512-C1519 VanDerWaalsContact SG-SG 3.67Å | ||
| 1513 | L | 42.2 | Very low | 41.8 | Very low | 52 Ų | 52 | 61.1 Ų | 61.1 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -39.5 | -168.5 | -90 | 157.7 | 0 | 0 | 0 | 115 | M1374 W1376 L1506 I1511 | M1374-L1513 HydrophobicContact CE-CD1 3.78Å; W1376-L1513 HydrophobicContact CH2-CD1 3.65Å; W1376-L1513 HydrophobicContact CZ2-CD1 4.4Å; W1376-L1513 HydrophobicContact CZ3-CD1 4.21Å; L1506-L1513 HydrophobicContact CD1-CD1 4.04Å; L1506-L1513 HydrophobicContact CD1-CD2 4.09Å; L1506-L1513 HydrophobicContact CD1-CG 4.13Å; L1506-L1513 HydrophobicContact CG-CD1 4.45Å; I1511-L1513 HydrophobicContact CG2-CG 4.37Å |
| 1514 | D | 40.5 | Very low | 41.3 | Very low | 104 Ų | 104 | 63.4 Ų | 63.4 | 56% | 0.556 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 17.3 | -174.9 | -60.2 | -40.3 | 0 | 0 | 0 | 113.9 | C1512 | C1512-D1514 VanDerWaalsContact C-N 3.31Å; C1512-D1514 PolarHBondContact O-N 3.19Å |
| 1515 | G | 39.6 | Very low | 40.8 | Very low | 37 Ų | 37 | 62.3 Ų | 62.3 | 38% | 0.381 | 37% | 0.373 | S | S | . | . | trans | 75.6 | 81.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C1512 P1517 | C1512-G1515 PolarHBondContact O-N 3.12Å; G1515-P1517 WeakPolarHBondContact O-CD 3.32Å | ||
| 1516 | C | 35.7 | Very low | 40.4 | Very low | 10 Ų | 10 | 60.3 Ų | 60.3 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | trans | -71.2 | 123.6 | 177.1 | 165.9 | 0 | 0 | 0 | 0 | 112.2 | C1371 H1373 C1512 I1518 C1519 | C1371-C1516 HydrophobicContact CB-CB 3.98Å; H1373-C1516 HydrophobicContact CB-CB 4.26Å; H1373-C1516 PolarHBondContact ND1-SG 3.02Å; C1512-C1516 HydrophobicContact CB-CB 3.78Å; C1516-I1518 PolarHBondContact O-N 3.08Å; C1516-I1518 PolarHBondContact SG-N 3.49Å; C1516-I1518 VanDerWaalsContact SG-N 3.41Å; C1516-C1519 VanDerWaalsContact CB-SG 3.57Å | ||
| 1517 | P | 38.5 | Very low | 39.9 | Very low | 108 Ų | 108 | 62.5 Ų | 62.5 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 23.7 | -179.4 | 31.5 | -35 | 0 | 0 | 0 | 114.5 | G1515 | G1515-P1517 WeakPolarHBondContact O-CD 3.32Š|
| 1518 | I | 35.1 | Very low | 39.4 | Very low | 71 Ų | 71 | 60.3 Ų | 60.3 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | -24.9 | -177.7 | -58.4 | 97.9 | 0 | 0 | 0 | 112.6 | C1324 C1516 | C1324-I1518 VanDerWaalsContact C-CG1 3.49Å; C1324-I1518 WeakPolarHBondContact O-CD1 3.4Å; C1324-I1518 WeakPolarHBondContact O-CG1 3.16Å; C1516-I1518 PolarHBondContact O-N 3.08Å; C1516-I1518 PolarHBondContact SG-N 3.49Å; C1516-I1518 VanDerWaalsContact SG-N 3.41Å |
| 1519 | C | 39.8 | Very low | 39 | Very low | 38 Ų | 38 | 56.9 Ų | 56.9 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -7.6 | -177.4 | 75.2 | 0 | 0 | 0 | 0 | 115.2 | C1512 C1516 N1521 | C1512-C1519 VanDerWaalsContact SG-SG 3.67Å; C1516-C1519 VanDerWaalsContact CB-SG 3.57Å; C1519-N1521 PolarHBondContact O-N 3.14Å |
| 1520 | D | 41 | Very low | 38.7 | Very low | 140 Ų | 140 | 59.7 Ų | 59.7 | 75% | 0.749 | 36% | 0.364 | S | S | * | . | trans | 54.7 | -9.7 | -173.8 | -87.4 | 3.2 | 0 | 0 | 0 | 116.6 | A1522 | D1520-A1522 PolarHBondContact O-N 3.06Š| ||
| 1521 | N | 34.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 62.8 Ų | 62.8 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | trans | -84.7 | 70.5 | -178.7 | -72.3 | -9.8 | 0 | 0 | 0 | 112.3 | C1519 | C1519-N1521 PolarHBondContact O-N 3.14Š| ||
| 1522 | A | 41.3 | Very low | 38.1 | Very low | 47 Ų | 47 | 66.2 Ų | 66.2 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | trans | -95.2 | 121.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1520 Q1524 | D1520-A1522 PolarHBondContact O-N 3.06Å; A1522-Q1524 VanDerWaalsContact C-N 3.26Å; A1522-Q1524 PolarHBondContact O-N 3.32Å | ||
| 1523 | V | 37.2 | Very low | 37.6 | Very low | 31 Ų | 31 | 69.5 Ų | 69.5 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | trans | -84.9 | 67.5 | -177.5 | -170.3 | 0 | 0 | 0 | 0 | 111.3 | L1502 I1511 S1525 L1526 | L1502-V1523 HydrophobicContact CD1-CG1 3.8Å; L1502-V1523 HydrophobicContact CD2-CG1 3.68Å; L1502-V1523 HydrophobicContact CD2-CG2 4.12Å; L1502-V1523 HydrophobicContact CG-CG1 4.33Å; I1511-V1523 HydrophobicContact CB-CG2 4.35Å; I1511-V1523 HydrophobicContact CD1-CG2 3.81Å; I1511-V1523 HydrophobicContact CG1-CG2 3.74Å; I1511-V1523 HydrophobicContact CG2-CG2 3.7Å; V1523-S1525 WeakPolarHBondContact CG1-OG 3.31Å; V1523-S1525 PolarHBondContact O-N 3.23Å; V1523-L1526 HydrophobicContact CG1-CB 4.02Å; V1523-L1526 HydrophobicContact CG1-CD1 4.07Å; V1523-L1526 HydrophobicContact CG1-CG 4.15Å; V1523-L1526 PolarHBondContact O-N 2.89Å; V1523-L1526 VanDerWaalsContact O-N 3.14Å | ||
| 1524 | Q | 39.4 | Very low | 37 | Very low | 97 Ų | 97 | 70.4 Ų | 70.4 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.3 | 174.5 | -69.2 | 175.3 | -12.7 | 0 | 0 | 112.7 | A1522 L1526 P1528 | A1522-Q1524 VanDerWaalsContact C-N 3.26Å; A1522-Q1524 PolarHBondContact O-N 3.32Å; Q1524-L1526 PolarHBondContact O-N 3.21Å; Q1524-P1528 WeakPolarHBondContact O-CD 3.49Å |
| 1525 | S | 39 | Very low | 36.4 | Very low | 69 Ų | 69 | 68.5 Ų | 68.5 | 48% | 0.483 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -13.6 | 176.4 | 53.1 | 0 | 0 | 0 | 0 | 115.7 | V1523 | V1523-S1525 WeakPolarHBondContact CG1-OG 3.31Å; V1523-S1525 PolarHBondContact O-N 3.23Å |
| 1526 | L | 40.1 | Very low | 35.8 | Very low | 26 Ų | 26 | 72.8 Ų | 72.8 | 14% | 0.136 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -26.5 | 177 | -101.1 | 171.2 | 0 | 0 | 0 | 113.3 | L1502 V1523 Q1524 V1529 L1530 | L1502-L1526 HydrophobicContact CB-CD1 4.07Å; L1502-L1526 HydrophobicContact CD1-CD1 4.22Å; L1502-L1526 HydrophobicContact CD1-CG 4.08Å; V1523-L1526 HydrophobicContact CG1-CB 4.02Å; V1523-L1526 HydrophobicContact CG1-CD1 4.07Å; V1523-L1526 HydrophobicContact CG1-CG 4.15Å; V1523-L1526 PolarHBondContact O-N 2.89Å; V1523-L1526 VanDerWaalsContact O-N 3.14Å; Q1524-L1526 PolarHBondContact O-N 3.21Å; L1526-V1529 HydrophobicContact CD2-CB 4.49Å; L1526-V1529 WeakPolarHBondContact O-CB 3.46Å; L1526-V1529 PolarHBondContact O-N 3.14Å; L1526-V1529 VanDerWaalsContact O-N 3.1Å; L1526-L1530 HydrophobicContact CB-CD1 4.32Å; L1526-L1530 HydrophobicContact CD2-CG 4.43Å; L1526-L1530 WeakPolarHBondContact O-CG 3.11Å; L1526-L1530 PolarHBondContact O-N 3.3Å |
| 1527 | C | 34 | Very low | 35.4 | Very low | 79 Ų | 79 | 79.2 Ų | 79.2 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | -174.5 | -151.5 | 0 | 0 | 0 | 0 | 113 | V1529 L1530 V1531 | C1527-V1529 PolarHBondContact O-N 2.87Å; C1527-L1530 PolarHBondContact O-N 2.81Å; C1527-V1531 WeakPolarHBondContact O-CB 3.47Å; C1527-V1531 VanDerWaalsContact O-CG2 3.31Å; C1527-V1531 WeakPolarHBondContact O-CG2 3.5Å; C1527-V1531 PolarHBondContact O-N 3.09Å |
| 1528 | P | 33.7 | Very low | 34.7 | Very low | 87 Ų | 87 | 81.6 Ų | 81.6 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -28.5 | 175.6 | -22.2 | 34.5 | 0 | 0 | 0 | 113.5 | Q1524 A1532 | Q1524-P1528 WeakPolarHBondContact O-CD 3.49Å; P1528-A1532 WeakPolarHBondContact O-CB 3.05Å; P1528-A1532 PolarHBondContact O-N 3.25Å |
| 1529 | V | 38 | Very low | 34.2 | Very low | 38 Ų | 38 | 86.9 Ų | 86.9 | 23% | 0.23 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -76.4 | -45.4 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | M1499 L1526 C1527 A1532 C1533 | M1499-V1529 HydrophobicContact CE-CG1 3.41Å; M1499-V1529 VanDerWaalsContact CE-CG1 3.41Å; L1526-V1529 HydrophobicContact CD2-CB 4.49Å; L1526-V1529 WeakPolarHBondContact O-CB 3.46Å; L1526-V1529 PolarHBondContact O-N 3.14Å; L1526-V1529 VanDerWaalsContact O-N 3.1Å; C1527-V1529 PolarHBondContact O-N 2.87Å; V1529-A1532 PolarHBondContact O-N 2.93Å; V1529-C1533 WeakPolarHBondContact O-CB 3.47Å; V1529-C1533 PolarHBondContact O-N 3.01Å; V1529-C1533 PolarHBondContact O-SG 2.94Å; V1529-C1533 VanDerWaalsContact O-SG 3.35Å |
| 1530 | L | 36.4 | Very low | 33.6 | Very low | 71 Ų | 71 | 90.2 Ų | 90.2 | 37% | 0.372 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 175.1 | -71.2 | 166.1 | 0 | 0 | 0 | 111.6 | I1391 L1526 C1527 S1534 | I1391-L1530 HydrophobicContact CD1-CD2 3.99Å; L1526-L1530 HydrophobicContact CB-CD1 4.32Å; L1526-L1530 HydrophobicContact CD2-CG 4.43Å; L1526-L1530 WeakPolarHBondContact O-CG 3.11Å; L1526-L1530 PolarHBondContact O-N 3.3Å; C1527-L1530 PolarHBondContact O-N 2.81Å; L1530-S1534 WeakPolarHBondContact O-CB 3.25Å; L1530-S1534 PolarHBondContact O-N 2.91Å |
| 1531 | V | 37.9 | Very low | 32.8 | Very low | 95 Ų | 95 | 89.3 Ų | 89.3 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.9 | -49.6 | 174.3 | 171.8 | 0 | 0 | 0 | 0 | 111 | C1527 C1533 S1534 | C1527-V1531 WeakPolarHBondContact O-CB 3.47Å; C1527-V1531 VanDerWaalsContact O-CG2 3.31Å; C1527-V1531 WeakPolarHBondContact O-CG2 3.5Å; C1527-V1531 PolarHBondContact O-N 3.09Å; V1531-C1533 VanDerWaalsContact C-N 3.28Å; V1531-C1533 PolarHBondContact O-N 3.14Å; V1531-S1534 PolarHBondContact O-N 2.91Å; V1531-S1534 VanDerWaalsContact O-N 3.09Å; V1531-S1534 PolarHBondContact O-OG 3.3Å |
| 1532 | A | 33.5 | Very low | 32.3 | Very low | 83 Ų | 83 | 90.3 Ų | 90.3 | 69% | 0.686 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.8 | -33 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1528 V1529 | P1528-A1532 WeakPolarHBondContact O-CB 3.05Å; P1528-A1532 PolarHBondContact O-N 3.25Å; V1529-A1532 PolarHBondContact O-N 2.93Å |
| 1533 | C | 32.7 | Very low | 31.6 | Very low | 69 Ų | 69 | 96.5 Ų | 96.5 | 47% | 0.466 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.4 | -7.7 | 177 | -71 | 0 | 0 | 0 | 0 | 114.5 | V1529 V1531 | V1529-C1533 WeakPolarHBondContact O-CB 3.47Å; V1529-C1533 PolarHBondContact O-N 3.01Å; V1529-C1533 PolarHBondContact O-SG 2.94Å; V1529-C1533 VanDerWaalsContact O-SG 3.35Å; V1531-C1533 VanDerWaalsContact C-N 3.28Å; V1531-C1533 PolarHBondContact O-N 3.14Å |
| 1534 | S | 29.8 | Very low | 31 | Very low | 70 Ų | 70 | 98.8 Ų | 98.8 | 49% | 0.49 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -25 | -171.1 | 69.1 | 0 | 0 | 0 | 0 | 115.5 | L1530 V1531 V1536 | L1530-S1534 WeakPolarHBondContact O-CB 3.25Å; L1530-S1534 PolarHBondContact O-N 2.91Å; V1531-S1534 PolarHBondContact O-N 2.91Å; V1531-S1534 VanDerWaalsContact O-N 3.09Å; V1531-S1534 PolarHBondContact O-OG 3.3Å; S1534-V1536 VanDerWaalsContact C-N 3.3Å; S1534-V1536 WeakPolarHBondContact O-CG2 3.44Å; S1534-V1536 PolarHBondContact O-N 3.07Å; S1534-V1536 VanDerWaalsContact O-N 3.13Å |
| 1535 | G | 26.5 | Very low | 30.4 | Very low | 64 Ų | 64 | 101.8 Ų | 101.8 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | trans | 60.9 | 22.3 | 166 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1536 | V | 27.9 | Very low | 29.6 | Very low | 127 Ų | 127 | 105 Ų | 105 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | trans | -90.1 | 136.5 | -178.9 | -162.2 | 0 | 0 | 0 | 0 | 111.1 | S1534 | S1534-V1536 VanDerWaalsContact C-N 3.3Å; S1534-V1536 WeakPolarHBondContact O-CG2 3.44Å; S1534-V1536 PolarHBondContact O-N 3.07Å; S1534-V1536 VanDerWaalsContact O-N 3.13Å | ||
| 1537 | N | 26.6 | Very low | 29.1 | Very low | 145 Ų | 145 | 113 Ų | 113 | 78% | 0.775 | 66% | 0.663 | S | S | * | * | trans | -84.3 | 145 | -167.3 | -59.1 | -60.8 | 0 | 0 | 0 | 114 | Q1539 | N1537-Q1539 PolarHBondContact O-N 2.87Š| ||
| 1538 | N | 24.1 | Very low | 28.7 | Very low | 158 Ų | 158 | 113.8 Ų | 113.8 | 85% | 0.845 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -66 | 88 | 171.8 | -82.3 | -19 | 0 | 0 | 0 | 112.6 | ||
| 1539 | Q | 25.2 | Very low | 28.6 | Very low | 183 Ų | 183 | 115.4 Ų | 115.4 | 86% | 0.855 | 68% | 0.675 | S | S | * | * | trans | -172.3 | 141.6 | 157.3 | -107.1 | 142.7 | 88.4 | 0 | 0 | 112.5 | N1537 | N1537-Q1539 PolarHBondContact O-N 2.87Š| ||
| 1540 | S | 25.7 | Very low | 28.1 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | 101.6 | 105.4 | 162.2 | -41.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1541 | T | 25.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | 58 | 102.8 | 132.6 | 59.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1542 | T | 23.3 | Very low | 27.3 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | -1.8 | 127.9 | 122.4 | 52.2 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1543 | I | 26.7 | Very low | 26.8 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 91% | 0.908 | 72% | 0.722 | S | S | * | * | trans | -162.4 | 157.8 | 143.9 | -104.1 | 151.9 | 0 | 0 | 0 | 109.9 | ||||
| 1544 | A | 25.1 | Very low | 26.4 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | trans | -62.3 | 169.7 | -170 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1545 | L | 26 | Very low | 26 | Very low | 159 Ų | 159 | 133.2 Ų | 133.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | -152.9 | 131.7 | 62.5 | -76.4 | 163.4 | 0 | 0 | 0 | 114.4 | |||||
| 1546 | R | 23.4 | Very low | 25.9 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 51% | 0.513 | 75% | 0.751 | S | S | . | * | trans | -91 | 165.6 | 162.5 | -61.8 | -175.2 | -169.9 | 130.1 | 6.9 | 110.8 | A1138 E1139 | A1138-R1546 VanDerWaalsContact O-CZ 3.22Å; A1138-R1546 PolarHBondContact O-NE 3Å; A1138-R1546 PolarHBondContact O-NH2 3.29Å; E1139-R1546 VanDerWaalsContact CD-NH1 3.32Å; E1139-R1546 VanDerWaalsContact CG-NH1 3.31Å; E1139-R1546 VanDerWaalsContact OE1-CD 3.23Å; E1139-R1546 WeakPolarHBondContact OE1-CD 3.45Å; E1139-R1546 IonicContact OE1-CZ 2.72Å; E1139-R1546 VanDerWaalsContact OE1-CZ 3.23Å; E1139-R1546 IonicContact OE1-NE 2.71Å; E1139-R1546 PolarHBondContact OE1-NE 3.34Å; E1139-R1546 IonicContact OE1-NH1 3.81Å; E1139-R1546 PolarHBondContact OE1-NH1 3.43Å | ||
| 1547 | H | 29.2 | Very low | 25.7 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 90% | 0.903 | 75% | 0.747 | S | S | * | * | trans | -139.8 | 112.9 | 152.7 | -107.2 | -70.6 | 0 | 0 | 0 | 111.3 | ||||
| 1548 | N | 25.6 | Very low | 25.5 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 51% | 0.513 | 75% | 0.748 | S | S | . | * | trans | -101 | 159.3 | -178.6 | -81.2 | -15.8 | 0 | 0 | 0 | 113.1 | E1139 | E1139-N1548 PolarHBondContact OE1-ND2 3.01Š| ||
| 1549 | S | 31.4 | Very low | 25.5 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -156.1 | 71.6 | 158.5 | 42 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1550 | N | 28.1 | Very low | 25.5 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | 10.8 | 167.6 | 115.5 | -104.2 | -18.5 | 0 | 0 | 0 | 119.4 | |||||
| 1551 | P | 32.5 | Very low | 25.4 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 56% | 0.558 | 74% | 0.738 | S | S | * | * | cis | -148.8 | -172.7 | 19.6 | 21.2 | 8.9 | 0 | 0 | 0 | 118.6 | ||||
| 1552 | F | 25 | Very low | 25.3 | Very low | 183 Ų | 183 | 132.6 Ų | 132.6 | 80% | 0.803 | 74% | 0.737 | S | S | * | * | trans | 89.9 | 137.6 | 152.6 | -62 | -51.8 | 0 | 0 | 0 | 119.6 | ||||
| 1553 | T | 23.4 | Very low | 25.3 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | cis | -153.8 | 159.3 | 20.3 | -12.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1554 | L | 22.8 | Very low | 25.2 | Very low | 137 Ų | 137 | 134 Ų | 134 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | trans | 83.7 | 87.3 | 150.4 | -70.1 | 166 | 0 | 0 | 0 | 123.1 | ||||
| 1555 | N | 22.4 | Very low | 25.3 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | 65.9 | 130.7 | 116.4 | -67.9 | 9.4 | 0 | 0 | 0 | 124.9 | |||||
| 1556 | S | 23.7 | Very low | 25.6 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | 71.3 | 143.4 | 141.5 | 51.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1557 | S | 23.5 | Very low | 25.6 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | cis | -174.1 | 144.5 | -17.3 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1558 | N | 23.7 | Very low | 25.4 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | 42.4 | 131.5 | 151.2 | -56.4 | 3.8 | 0 | 0 | 0 | 120.8 | ||||
| 1559 | S | 23.6 | Very low | 25.6 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 176.3 | 130.4 | 102.2 | -76.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1560 | I | 24.6 | Very low | 25.2 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | 65.1 | 140.9 | 140.2 | -61.1 | 167.3 | 0 | 0 | 0 | 118.4 | ||||
| 1561 | E | 23.6 | Very low | 24.9 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | cis | 173.7 | 174.2 | -34.9 | -114.1 | 178 | -175.5 | 0 | 0 | 107.6 | ||||
| 1562 | T | 24.7 | Very low | 24.5 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | 61.2 | 107 | 168.2 | 52.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 1563 | E | 23.5 | Very low | 24.3 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | 67.3 | 121.2 | 76.1 | -71 | -160.5 | 164.5 | 0 | 0 | 115.1 | |||||
| 1564 | L | 24.5 | Very low | 24.3 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | 180 | 134.2 | 103.2 | -92.6 | 170.8 | 0 | 0 | 0 | 112.8 | |||||
| 1565 | N | 27.2 | Very low | 24.4 | Very low | 144 Ų | 144 | 130.3 Ų | 130.3 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -88.1 | -171.7 | 163.5 | -134.5 | -16.7 | 0 | 0 | 0 | 107.7 | ||||
| 1566 | P | 32.3 | Very low | 24.7 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 62% | 0.617 | 76% | 0.756 | S | S | * | * | cis | -140.6 | -165.5 | -14 | 24.6 | 2.7 | 0 | 0 | 0 | 114.5 | ||||
| 1567 | T | 23 | Very low | 24.8 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | 97.1 | 152.9 | 145.8 | 75.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 1568 | A | 25.5 | Very low | 24.9 | Very low | 88 Ų | 88 | 130.1 Ų | 130.1 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 87.8 | 81.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1569 | S | 28.9 | Very low | 25.1 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | 153 | 120.3 | 128.4 | 53.1 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1570 | N | 23.1 | Very low | 25.2 | Very low | 150 Ų | 150 | 129.1 Ų | 129.1 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | cis | 70.6 | 132.1 | 16.8 | -140.4 | 9.4 | 0 | 0 | 0 | 115.1 | ||||
| 1571 | I | 22.7 | Very low | 25.2 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 80.6 | 83.3 | 170.1 | -55.4 | 162.3 | 0 | 0 | 0 | 117.2 | ||||
| 1572 | T | 22.1 | Very low | 25.1 | Very low | 121 Ų | 121 | 127 Ų | 127 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | trans | 47.1 | 138.7 | 130.6 | 65.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 1573 | S | 21.9 | Very low | 25.1 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | 93.6 | 159.4 | 133.8 | 79.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1574 | I | 23.4 | Very low | 25.3 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | trans | 84.9 | 103.7 | 166.1 | -58.3 | 165 | 0 | 0 | 0 | 116.9 | ||||
| 1575 | L | 24.6 | Very low | 25.1 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | -67 | 157.1 | 158 | -82.3 | 69.7 | 0 | 0 | 0 | 110.7 | T1577 | L1575-T1577 HydrophobicContact CB-CG2 3.87Å; L1575-T1577 HydrophobicContact CD2-CG2 3.98Å | ||
| 1576 | P | 27.8 | Very low | 25 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | -120.5 | 115.7 | 103.9 | -4.7 | 24.6 | 0 | 0 | 0 | 110.8 | |||||
| 1577 | T | 26 | Very low | 24.6 | Very low | 87 Ų | 87 | 124.4 Ų | 124.4 | 53% | 0.534 | 72% | 0.722 | S | S | . | * | 82.1 | 147.1 | 62.6 | 59.9 | 0 | 0 | 0 | 0 | 115.3 | L1575 | L1575-T1577 HydrophobicContact CB-CG2 3.87Å; L1575-T1577 HydrophobicContact CD2-CG2 3.98Å | |||
| 1578 | N | 27.2 | Very low | 24.7 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | 73.2 | 138.1 | 164.3 | -56.9 | -27.6 | 0 | 0 | 0 | 115.9 | ||||
| 1579 | N | 26.7 | Very low | 24.6 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | cis | 165.9 | 163.9 | -8.6 | -106.1 | -11.5 | 0 | 0 | 0 | 104.1 | ||||
| 1580 | S | 26.5 | Very low | 24.3 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | cis | -170.9 | 155.1 | 2.1 | 36.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1581 | V | 24 | Very low | 24.3 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 70% | 0.703 | 71% | 0.71 | S | S | * | * | trans | 68.3 | 117.3 | 149.7 | 166.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1582 | L | 22.1 | Very low | 24.4 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | cis | 80 | 150.5 | 47.7 | -70 | 165.8 | 0 | 0 | 0 | 115.4 | ||||
| 1583 | T | 24.5 | Very low | 24.5 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | trans | 55.9 | 104.6 | 157.8 | 49 | 0 | 0 | 0 | 0 | 117 | ||||
| 1584 | N | 26.3 | Very low | 24.7 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | -167.2 | 144.2 | 78.9 | -78.6 | -43.7 | 0 | 0 | 0 | 108.5 | |||||
| 1585 | I | 22 | Very low | 24.8 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | cis | 79.3 | 115.8 | 44.5 | -62 | 172.3 | 0 | 0 | 0 | 112.6 | ||||
| 1586 | Q | 23.3 | Very low | 24.7 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 76% | 0.757 | 70% | 0.696 | S | S | * | * | trans | 71.4 | 154 | 167.2 | -122.6 | 83.1 | -15.2 | 0 | 0 | 119.3 | ||||
| 1587 | T | 25 | Very low | 24.7 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | trans | 66.6 | 137.9 | 162.8 | 62.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1588 | D | 25.4 | Very low | 24.6 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | cis | -153.3 | 168.1 | -12 | -116.5 | -24.4 | 0 | 0 | 0 | 115 | ||||
| 1589 | M | 22.4 | Very low | 24.8 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 71% | 0.714 | 70% | 0.704 | S | S | * | * | trans | -51.3 | 162.7 | 166.4 | -79.4 | -121.7 | -64.1 | 0 | 0 | 116.3 | ||||
| 1590 | E | 22.4 | Very low | 24.9 | Very low | 157 Ų | 157 | 131 Ų | 131 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | 78.9 | 163.4 | 142.4 | -84.1 | -176.7 | 146.6 | 0 | 0 | 122.1 | ||||
| 1591 | L | 23.2 | Very low | 25.3 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 67% | 0.67 | 72% | 0.715 | S | S | * | * | trans | -46.9 | 137 | -176.1 | -67.3 | 57.6 | 0 | 0 | 0 | 114.6 | ||||
| 1592 | V | 24.8 | Very low | 25.6 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | -142 | 111.2 | 107.5 | 157.6 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 1593 | Q | 25.4 | Very low | 25.9 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 60% | 0.598 | 72% | 0.72 | S | S | * | * | 69.2 | 139.2 | 71.9 | -98.6 | -172.7 | -16.8 | 0 | 0 | 115.7 | |||||
| 1594 | N | 25.1 | Very low | 26 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 58% | 0.583 | 73% | 0.728 | S | S | * | * | trans | 72 | 141.2 | 146.3 | -63.6 | -25.6 | 0 | 0 | 0 | 117.7 | ||||
| 1595 | Q | 25.6 | Very low | 26.1 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 65% | 0.654 | 73% | 0.727 | S | S | * | * | cis | -170.7 | 175 | -2.4 | -125.5 | 168.1 | 40.6 | 0 | 0 | 113.5 | ||||
| 1596 | L | 23.4 | Very low | 26.2 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | 80.1 | 132.4 | 139.3 | -81.9 | 164 | 0 | 0 | 0 | 122.3 | ||||
| 1597 | V | 26.3 | Very low | 26.7 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 84.6 | 132.9 | 147.5 | 170.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1598 | S | 25.7 | Very low | 26.7 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | cis | -171.5 | 158.6 | -26.8 | -163.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1599 | S | 30 | Very low | 26.5 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | 75.6 | 140.2 | 151.3 | 77.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1600 | K | 29.5 | Very low | 26.7 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | cis | -156.1 | 143.1 | -4.6 | -124.7 | 169.6 | -175.1 | 176.3 | 0 | 113.3 | ||||
| 1601 | P | 34.4 | Very low | 26.8 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | trans | -105.7 | 159.8 | 175.6 | 40.1 | -35.4 | 0 | 0 | 0 | 114.5 | ||||
| 1602 | P | 29.9 | Very low | 26.8 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | -145 | -179.8 | 110.7 | 41.9 | -28.4 | 0 | 0 | 0 | 112.2 | |||||
| 1603 | R | 29.5 | Very low | 26.8 | Very low | 219 Ų | 219 | 136.5 Ų | 136.5 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | cis | -155.9 | 146.4 | -5.2 | -126.7 | 160.4 | -164.8 | 175.7 | 5.1 | 106.3 | ||||
| 1604 | N | 25.9 | Very low | 26.9 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | cis | 93.1 | 141.6 | 20.4 | -159.8 | 12.3 | 0 | 0 | 0 | 115.4 | ||||
| 1605 | L | 28 | Very low | 26.9 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | 85.6 | 135.4 | -175.4 | -55.4 | 164.1 | 0 | 0 | 0 | 116.9 | ||||
| 1606 | S | 24.5 | Very low | 26.8 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | cis | -173.5 | 147.8 | -26.3 | 41.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1607 | P | 35.2 | Very low | 26.9 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | -85.8 | 169.1 | 173.9 | 37.1 | -36.4 | 0 | 0 | 0 | 112.9 | ||||
| 1608 | I | 23.7 | Very low | 26.7 | Very low | 151 Ų | 151 | 132 Ų | 132 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | trans | -177 | 131.2 | 139.9 | -98.6 | 155.5 | 0 | 0 | 0 | 111.9 | ||||
| 1609 | D | 21.1 | Very low | 26.7 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 67% | 0.668 | 73% | 0.728 | S | S | * | * | trans | 23.4 | 156.3 | 152.8 | -54.4 | -54.3 | 0 | 0 | 0 | 126.3 | ||||
| 1610 | H | 26.3 | Very low | 26.3 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | trans | 108.4 | 112.7 | 140.8 | -68.8 | -37.7 | 0 | 0 | 0 | 120.4 | ||||
| 1611 | Q | 25.7 | Very low | 26 | Very low | 149 Ų | 149 | 129 Ų | 129 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | trans | 74.9 | 143.9 | 134.7 | -61.8 | 173.5 | 48.7 | 0 | 0 | 117.4 | ||||
| 1612 | N | 23.5 | Very low | 25.5 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 60% | 0.604 | 72% | 0.72 | S | S | * | * | cis | -162.4 | 148.4 | -7.3 | -113.5 | -16.4 | 0 | 0 | 0 | 110.9 | ||||
| 1613 | F | 24.5 | Very low | 25.2 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 79% | 0.789 | 73% | 0.725 | S | S | * | * | trans | 66.6 | 150.7 | 151.3 | -77.5 | -133.8 | 0 | 0 | 0 | 118.3 | ||||
| 1614 | S | 26.1 | Very low | 25 | Very low | 100 Ų | 100 | 132.5 Ų | 132.5 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | cis | -168 | 161.4 | -18.4 | -103.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1615 | G | 26.2 | Very low | 24.7 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | trans | 91 | 104.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1616 | L | 24.1 | Very low | 24.6 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | cis | 54 | 129.8 | 27.8 | -68.5 | 167.4 | 0 | 0 | 0 | 111.5 | ||||
| 1617 | V | 24.2 | Very low | 24.8 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 70% | 0.703 | 71% | 0.713 | S | S | * | * | cis | -136.4 | 150.4 | 31.3 | 176 | 0 | 0 | 0 | 0 | 112 | ||||
| 1618 | N | 23.2 | Very low | 24.6 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 64% | 0.642 | 71% | 0.707 | S | S | * | * | trans | -8.5 | 162.7 | 141.9 | -31.9 | -26.9 | 0 | 0 | 0 | 116.6 | ||||
| 1619 | T | 24.4 | Very low | 24.6 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | cis | -167.5 | 139.9 | 39.3 | -13.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1620 | S | 23.3 | Very low | 24.8 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | 39.8 | 156.1 | 126.2 | -54.7 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1621 | T | 23.1 | Very low | 24.7 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | trans | 73.4 | 106.1 | 149.6 | 35 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1622 | R | 22.5 | Very low | 24.6 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | 42.2 | 113.6 | 123 | -64.1 | 176.2 | 167.8 | -171.1 | -1.3 | 117.7 | |||||
| 1623 | Q | 23.5 | Very low | 24.7 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | 179.8 | 178.1 | 111.3 | -100.4 | 162.9 | -15.9 | 0 | 0 | 112.5 | |||||
| 1624 | N | 25.6 | Very low | 24.8 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 82% | 0.824 | 71% | 0.71 | S | S | * | * | trans | 74.8 | 94.4 | 167.9 | -58.4 | -11.4 | 0 | 0 | 0 | 118.7 | ||||
| 1625 | M | 21.1 | Very low | 24.8 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 40% | 0.404 | 71% | 0.709 | S | S | . | * | trans | -67.4 | -168.8 | 140.3 | -64.8 | 164.8 | 157.5 | 0 | 0 | 110.5 | D1200 N1202 | D1200-M1625 HydrophobicContact CB-CE 3.79Å; D1200-M1625 HydrophobicContact CB-SD 3.83Å; D1200-M1625 VanDerWaalsContact OD1-CE 3.32Å; D1200-M1625 WeakPolarHBondContact OD1-CE 3.31Å; N1202-M1625 PolarHBondContact ND2-SD 2.79Å | ||
| 1626 | I | 24.7 | Very low | 24.9 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 83% | 0.831 | 70% | 0.698 | S | S | * | * | trans | 94.2 | 82.2 | 162.2 | -54 | 171.1 | 0 | 0 | 0 | 115.3 | ||||
| 1627 | T | 28.8 | Very low | 25 | Very low | 114 Ų | 114 | 125 Ų | 125 | 70% | 0.699 | 68% | 0.68 | S | S | * | * | trans | -33.3 | -179.7 | 132 | 25.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1628 | P | 31.3 | Very low | 25.3 | Very low | 100 Ų | 100 | 126 Ų | 126 | 65% | 0.649 | 67% | 0.671 | S | S | * | * | cis | -136.1 | -162.9 | -3.7 | 23.6 | 3.2 | 0 | 0 | 0 | 113.4 | ||||
| 1629 | N | 23.4 | Very low | 25.6 | Very low | 139 Ų | 139 | 122.7 Ų | 122.7 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | trans | 119.6 | 94.2 | 137.4 | -70.4 | -25.6 | 0 | 0 | 0 | 117.9 | ||||
| 1630 | N | 25.2 | Very low | 25.7 | Very low | 112 Ų | 112 | 124 Ų | 124 | 60% | 0.599 | 66% | 0.658 | S | S | * | * | trans | -25.2 | 141.4 | 131.7 | -55.3 | 4.4 | 0 | 0 | 0 | 113.3 | ||||
| 1631 | Q | 25.5 | Very low | 26 | Very low | 166 Ų | 166 | 125 Ų | 125 | 78% | 0.776 | 66% | 0.66 | S | S | * | * | -176.8 | 130.8 | 116.5 | -102.3 | 175.6 | 66.9 | 0 | 0 | 113.5 | |||||
| 1632 | L | 23.4 | Very low | 26.1 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 68% | 0.681 | 66% | 0.664 | S | S | * | * | 41.7 | 114.4 | 128.4 | -62.4 | 175.1 | 0 | 0 | 0 | 116.9 | |||||
| 1633 | R | 25.4 | Very low | 26.3 | Very low | 188 Ų | 188 | 121.3 Ų | 121.3 | 71% | 0.709 | 67% | 0.666 | S | S | * | * | 177.8 | 148.8 | 62.8 | -106 | 142.3 | 176.4 | -95 | 4.6 | 114.3 | |||||
| 1634 | Q | 26 | Very low | 26.6 | Very low | 167 Ų | 167 | 122.8 Ų | 122.8 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | trans | 64.4 | 116.7 | 136.8 | -65.8 | 164.8 | -31.8 | 0 | 0 | 120.3 | ||||
| 1635 | G | 26.8 | Very low | 26.5 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 66% | 0.663 | S | S | * | * | trans | -163.4 | -73.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1636 | G | 26.8 | Very low | 26.7 | Very low | 42 Ų | 42 | 128.3 Ų | 128.3 | 43% | 0.433 | 69% | 0.685 | S | S | . | * | trans | 91.7 | 145.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | S395 R396 L397 | S395-G1636 CarbonylContact C-O 3.43Å; S395-G1636 VanDerWaalsContact C-O 3.27Å; S395-G1636 CarbonylContact O-C 3.43Å; R396-G1636 CarbonylContact C-O 3.46Å; R396-G1636 WeakPolarHBondContact CA-O 3.49Å; R396-G1636 PolarHBondContact N-O 3.49Å; L397-G1636 PolarHBondContact N-O 3.36Å | ||
| 1637 | S | 27.5 | Very low | 26.8 | Very low | 60 Ų | 60 | 123.8 Ų | 123.8 | 42% | 0.42 | 68% | 0.678 | S | S | . | * | trans | 51 | -175.2 | 151.5 | 81.6 | 0 | 0 | 0 | 0 | 119.5 | S395 R396 L397 | S395-S1637 WeakPolarHBondContact CA-OG 3.34Å; S395-S1637 PolarHBondContact N-OG 2.69Å; S395-S1637 PolarHBondContact O-OG 3.21Å; R396-S1637 CarbonylContact C-O 3.37Å; R396-S1637 WeakPolarHBondContact CA-O 3.22Å; L397-S1637 PolarHBondContact N-O 3.01Å | ||
| 1638 | R | 30 | Very low | 26.8 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 51% | 0.513 | 69% | 0.686 | S | S | . | * | cis | -154.4 | 152.5 | -8.5 | -158.5 | -167.4 | 127.8 | 140.7 | -4.4 | 109.4 | R396 E1640 | R396-R1638 HydrophobicContact CG-CB 4.41Å; R396-R1638 PolarHBondContact NE-O 3.26Å; R396-R1638 PolarHBondContact NH2-O 2.87Å; R1638-E1640 IonicContact CZ-OE1 3.29Å; R1638-E1640 IonicContact NE-OE1 3.81Å; R1638-E1640 PolarHBondContact NE-OE1 3.12Å; R1638-E1640 IonicContact NH2-OE1 3.51Å; R1638-E1640 PolarHBondContact NH2-OE1 2.82Å | ||
| 1639 | A | 29.4 | Very low | 26.8 | Very low | 50 Ų | 50 | 127.9 Ų | 127.9 | 41% | 0.413 | 68% | 0.682 | S | S | . | * | trans | 75.3 | 136.3 | 149.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1640 | E | 27.3 | Very low | 27.1 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 66% | 0.659 | 68% | 0.684 | S | S | * | * | cis | -161.4 | 159.6 | 1 | -115.6 | 147.2 | -135.1 | 0 | 0 | 108 | R1638 | R1638-E1640 IonicContact CZ-OE1 3.29Å; R1638-E1640 IonicContact NE-OE1 3.81Å; R1638-E1640 PolarHBondContact NE-OE1 3.12Å; R1638-E1640 IonicContact NH2-OE1 3.51Å; R1638-E1640 PolarHBondContact NH2-OE1 2.82Å | ||
| 1641 | V | 27.9 | Very low | 27.5 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | 173.7 | 134.4 | 84.5 | 162.3 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1642 | I | 25.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 126.3 Ų | 126.3 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | trans | 41.6 | 124.8 | 152.7 | -57.1 | 166.2 | 0 | 0 | 0 | 121.5 | ||||
| 1643 | G | 27.2 | Very low | 28.9 | Very low | 73 Ų | 73 | 123.1 Ų | 123.1 | 75% | 0.753 | 67% | 0.666 | S | S | * | * | trans | -145.8 | -0.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1644 | R | 29.2 | Very low | 30 | Very low | 215 Ų | 215 | 120.3 Ų | 120.3 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | trans | 63.8 | 137.9 | -179.9 | -67 | -179.7 | 169.6 | 179 | -3.3 | 118 | ||||
| 1645 | P | 24.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | trans | -95.1 | 132.4 | -178.9 | 35.6 | -32.7 | 0 | 0 | 0 | 113.6 | ||||
| 1646 | R | 25.5 | Very low | 33.1 | Very low | 226 Ų | 226 | 123.8 Ų | 123.8 | 85% | 0.853 | 65% | 0.65 | S | S | * | * | trans | -146 | 112.4 | 171.1 | -70.6 | -170.3 | 172.5 | 175.1 | -2.3 | 113.2 | ||||
| 1647 | G | 27 | Very low | 34.9 | Very low | 66 Ų | 66 | 125.7 Ų | 125.7 | 68% | 0.68 | 65% | 0.65 | S | S | * | * | trans | 66.8 | 72.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | K1649 | G1647-K1649 PolarHBondContact O-N 3.44Š| ||
| 1648 | L | 28.2 | Very low | 36.8 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 87% | 0.869 | 65% | 0.648 | S | S | * | * | trans | -64.8 | 100.6 | 162.7 | -117.2 | 73 | 0 | 0 | 0 | 109.6 | T1650 | L1648-T1650 PolarHBondContact O-N 3.02Š| ||
| 1649 | K | 31.2 | Very low | 38.7 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 58% | 0.583 | 65% | 0.654 | S | S | * | * | trans | -57.3 | 127.1 | 155.8 | -64 | 176.6 | -178.4 | 176.6 | 0 | 106.4 | N823 G1647 H1651 | N823-K1649 WeakPolarHBondContact OD1-CE 3.38Å; N823-K1649 PolarHBondContact OD1-NZ 3.24Å; G1647-K1649 PolarHBondContact O-N 3.44Å; K1649-H1651 VanDerWaalsContact C-N 3.26Å; K1649-H1651 PolarHBondContact O-N 2.97Å | ||
| 1650 | T | 29.3 | Very low | 40.4 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | trans | -72.1 | 89.6 | 167.4 | 49.5 | 0 | 0 | 0 | 0 | 107.9 | L1648 L1652 | L1648-T1650 PolarHBondContact O-N 3.02Å; T1650-L1652 PolarHBondContact O-N 3.37Å | ||
| 1651 | H | 34.2 | Very low | 42.5 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 81% | 0.81 | 64% | 0.64 | S | S | * | * | trans | -58.7 | 92.5 | 149.6 | -97 | -95.7 | 0 | 0 | 0 | 106 | K1649 C1653 | K1649-H1651 VanDerWaalsContact C-N 3.26Å; K1649-H1651 PolarHBondContact O-N 2.97Å; H1651-C1653 PolarHBondContact O-N 3.14Å | ||
| 1652 | L | 38.4 | Very low | 44.6 | Very low | 81 Ų | 81 | 126 Ų | 126 | 42% | 0.424 | 63% | 0.63 | S | S | . | * | trans | -58.5 | 126.3 | 153.3 | -74.1 | 165.4 | 0 | 0 | 0 | 105.1 | T1650 E1656 L1660 | T1650-L1652 PolarHBondContact O-N 3.37Å; L1652-E1656 WeakPolarHBondContact CA-OE2 3.2Å; L1652-E1656 HydrophobicContact CB-CB 4.29Å; L1652-E1656 HydrophobicContact CD2-CB 4Å; L1652-L1660 HydrophobicContact CD1-CD1 4.17Å; L1652-L1660 HydrophobicContact CD2-CD1 4.12Å | ||
| 1653 | C | 39.5 | Very low | 46.8 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 43% | 0.432 | 61% | 0.607 | S | S | . | * | trans | -56 | 149.1 | 169.3 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | H1651 R1655 E1656 L1657 | H1651-C1653 PolarHBondContact O-N 3.14Å; C1653-R1655 PolarHBondContact O-N 2.96Å; C1653-E1656 HydrophobicContact CB-CB 4.34Å; C1653-E1656 HydrophobicContact CB-CG 4.06Å; C1653-E1656 PolarHBondContact N-OE2 3.12Å; C1653-E1656 CarbonylContact O-C 3.39Å; C1653-E1656 WeakPolarHBondContact O-CA 3.21Å; C1653-E1656 WeakPolarHBondContact O-CB 3.32Å; C1653-E1656 PolarHBondContact O-N 3.41Å; C1653-L1657 PolarHBondContact O-N 2.95Å | ||
| 1654 | E | 49.4 | Very low | 48.9 | Very low | 129 Ų | 129 | 121 Ų | 121 | 60% | 0.603 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -54.9 | -37.2 | 175.3 | -167.7 | 162.8 | -148.6 | 0 | 0 | 110.9 | E1656 L1657 D1658 | E1654-E1656 PolarHBondContact O-N 3.35Å; E1654-L1657 PolarHBondContact O-N 2.9Å; E1654-D1658 PolarHBondContact O-N 3.12Å |
| 1655 | R | 55.7 | Low | 50.9 | Low | 214 Ų | 214 | 114.4 Ų | 114.4 | 81% | 0.808 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -58.9 | -36.9 | 169 | -61.4 | 179.2 | 176.8 | 175.9 | -1.2 | 114.1 | C1653 R1659 | C1653-R1655 PolarHBondContact O-N 2.96Å; R1655-R1659 WeakPolarHBondContact O-CB 3.44Å; R1655-R1659 PolarHBondContact O-N 2.84Å |
| 1656 | E | 62.5 | Low | 53 | Low | 92 Ų | 92 | 110.9 Ų | 110.9 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.2 | -37 | 175.3 | -71.2 | -178.6 | 116.8 | 0 | 0 | 111.7 | L1652 C1653 E1654 L1660 | L1652-E1656 WeakPolarHBondContact CA-OE2 3.2Å; L1652-E1656 HydrophobicContact CB-CB 4.29Å; L1652-E1656 HydrophobicContact CD2-CB 4Å; C1653-E1656 HydrophobicContact CB-CB 4.34Å; C1653-E1656 HydrophobicContact CB-CG 4.06Å; C1653-E1656 PolarHBondContact N-OE2 3.12Å; C1653-E1656 CarbonylContact O-C 3.39Å; C1653-E1656 WeakPolarHBondContact O-CA 3.21Å; C1653-E1656 WeakPolarHBondContact O-CB 3.32Å; C1653-E1656 PolarHBondContact O-N 3.41Å; E1654-E1656 PolarHBondContact O-N 3.35Å; E1656-L1660 WeakPolarHBondContact O-CB 3.43Å; E1656-L1660 WeakPolarHBondContact O-CD1 3.44Å; E1656-L1660 WeakPolarHBondContact O-CG 3.46Å; E1656-L1660 PolarHBondContact O-N 3.1Å |
| 1657 | L | 64.9 | Low | 55 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 43% | 0.429 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 175.2 | -179.8 | 61.2 | 0 | 0 | 0 | 110.8 | C1653 E1654 L1660 K1661 | C1653-L1657 PolarHBondContact O-N 2.95Å; E1654-L1657 PolarHBondContact O-N 2.9Å; L1657-L1660 PolarHBondContact O-N 2.93Å; L1657-K1661 WeakPolarHBondContact O-CG 3.4Å; L1657-K1661 PolarHBondContact O-N 3Å |
| 1658 | D | 66.2 | Low | 57.1 | Low | 72 Ų | 72 | 106.9 Ų | 106.9 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.3 | -35.9 | 177.9 | -72.8 | -22.3 | 0 | 0 | 0 | 112.7 | E1654 L1660 K1661 H1662 | E1654-D1658 PolarHBondContact O-N 3.12Å; D1658-L1660 VanDerWaalsContact C-N 3.32Å; D1658-L1660 PolarHBondContact O-N 3.21Å; D1658-K1661 PolarHBondContact O-N 3.1Å; D1658-K1661 VanDerWaalsContact OD1-CD 3.31Å; D1658-K1661 WeakPolarHBondContact OD1-CD 3.46Å; D1658-K1661 VanDerWaalsContact OD1-CE 3.27Å; D1658-K1661 WeakPolarHBondContact OD1-CE 3.44Å; D1658-K1661 IonicContact OD1-NZ 2.83Å; D1658-K1661 PolarHBondContact OD1-NZ 3.37Å; D1658-H1662 VanDerWaalsContact O-CB 3.31Å; D1658-H1662 WeakPolarHBondContact O-CB 3.47Å; D1658-H1662 PolarHBondContact O-N 3.12Å |
| 1659 | R | 70 | Confident | 59 | Low | 166 Ų | 166 | 100.7 Ų | 100.7 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -56.5 | -45.7 | 166.1 | 176 | -178.8 | 173.6 | 155.5 | 7.2 | 111.4 | R1655 H1662 E1663 | R1655-R1659 WeakPolarHBondContact O-CB 3.44Å; R1655-R1659 PolarHBondContact O-N 2.84Å; R1659-H1662 PolarHBondContact O-N 3Å; R1659-E1663 HydrophobicContact CG-CG 4.42Å; R1659-E1663 IonicContact CZ-OE1 3.62Å; R1659-E1663 IonicContact NE-OE1 2.74Å; R1659-E1663 PolarHBondContact NE-OE1 3.24Å; R1659-E1663 IonicContact NH2-OE1 3.32Å; R1659-E1663 PolarHBondContact NH2-OE1 3.14Å; R1659-E1663 WeakPolarHBondContact O-CB 3.34Å; R1659-E1663 WeakPolarHBondContact O-CG 3.3Å; R1659-E1663 PolarHBondContact O-N 2.88Å |
| 1660 | L | 65.5 | Low | 61 | Low | 80 Ų | 80 | 100 Ų | 100 | 42% | 0.419 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 178 | -75.6 | 166.8 | 0 | 0 | 0 | 112.4 | L1652 E1656 L1657 D1658 L1664 | L1652-L1660 HydrophobicContact CD1-CD1 4.17Å; L1652-L1660 HydrophobicContact CD2-CD1 4.12Å; E1656-L1660 WeakPolarHBondContact O-CB 3.43Å; E1656-L1660 WeakPolarHBondContact O-CD1 3.44Å; E1656-L1660 WeakPolarHBondContact O-CG 3.46Å; E1656-L1660 PolarHBondContact O-N 3.1Å; L1657-L1660 PolarHBondContact O-N 2.93Å; D1658-L1660 VanDerWaalsContact C-N 3.32Å; D1658-L1660 PolarHBondContact O-N 3.21Å; L1660-L1664 WeakPolarHBondContact O-CB 3.5Å; L1660-L1664 PolarHBondContact O-N 2.95Å |
| 1661 | K | 70.9 | Confident | 63.3 | Low | 82 Ų | 82 | 99.1 Ų | 99.1 | 36% | 0.357 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 169.9 | -69.4 | 175.4 | -164.5 | 160.8 | 0 | 110.7 | L1657 D1658 L1664 Q1665 | L1657-K1661 WeakPolarHBondContact O-CG 3.4Å; L1657-K1661 PolarHBondContact O-N 3Å; D1658-K1661 PolarHBondContact O-N 3.1Å; D1658-K1661 VanDerWaalsContact OD1-CD 3.31Å; D1658-K1661 WeakPolarHBondContact OD1-CD 3.46Å; D1658-K1661 VanDerWaalsContact OD1-CE 3.27Å; D1658-K1661 WeakPolarHBondContact OD1-CE 3.44Å; D1658-K1661 IonicContact OD1-NZ 2.83Å; D1658-K1661 PolarHBondContact OD1-NZ 3.37Å; K1661-L1664 WeakPolarHBondContact O-CB 3.35Å; K1661-L1664 PolarHBondContact O-N 3.02Å; K1661-Q1665 PolarHBondContact O-N 3.27Å |
| 1662 | H | 71.5 | Confident | 65.5 | Low | 112 Ų | 112 | 95.5 Ų | 95.5 | 52% | 0.519 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.8 | -49.5 | 179.6 | -178.2 | 92.6 | 0 | 0 | 0 | 111.8 | D1658 R1659 L1664 Q1665 V1666 | D1658-H1662 VanDerWaalsContact O-CB 3.31Å; D1658-H1662 WeakPolarHBondContact O-CB 3.47Å; D1658-H1662 PolarHBondContact O-N 3.12Å; R1659-H1662 PolarHBondContact O-N 3Å; H1662-L1664 PolarHBondContact O-N 3.45Å; H1662-Q1665 PolarHBondContact O-N 2.8Å; H1662-V1666 WeakPolarHBondContact O-CG2 3.47Å; H1662-V1666 PolarHBondContact O-N 2.81Å |
| 1663 | E | 72.3 | Confident | 67.6 | Low | 75 Ų | 75 | 91.6 Ų | 91.6 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.1 | -36.7 | 174.1 | -73.6 | -179.8 | -164.7 | 0 | 0 | 111.6 | R1659 M1667 | R1659-E1663 HydrophobicContact CG-CG 4.42Å; R1659-E1663 IonicContact CZ-OE1 3.62Å; R1659-E1663 IonicContact NE-OE1 2.74Å; R1659-E1663 PolarHBondContact NE-OE1 3.24Å; R1659-E1663 IonicContact NH2-OE1 3.32Å; R1659-E1663 PolarHBondContact NH2-OE1 3.14Å; R1659-E1663 WeakPolarHBondContact O-CB 3.34Å; R1659-E1663 WeakPolarHBondContact O-CG 3.3Å; R1659-E1663 PolarHBondContact O-N 2.88Å; E1663-M1667 WeakPolarHBondContact O-CB 3.38Å; E1663-M1667 WeakPolarHBondContact O-CE 3.22Å; E1663-M1667 WeakPolarHBondContact O-CG 3.45Å; E1663-M1667 PolarHBondContact O-N 2.72Å |
| 1664 | L | 71.4 | Confident | 69.2 | Low | 56 Ų | 56 | 90 Ų | 90 | 29% | 0.293 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 173.2 | -114.9 | 169.2 | 0 | 0 | 0 | 113.2 | L1660 K1661 H1662 R1668 | L1660-L1664 WeakPolarHBondContact O-CB 3.5Å; L1660-L1664 PolarHBondContact O-N 2.95Å; K1661-L1664 WeakPolarHBondContact O-CB 3.35Å; K1661-L1664 PolarHBondContact O-N 3.02Å; H1662-L1664 PolarHBondContact O-N 3.45Å; L1664-R1668 VanDerWaalsContact O-CG 3.29Å; L1664-R1668 WeakPolarHBondContact O-CG 3.19Å; L1664-R1668 PolarHBondContact O-N 3.13Å |
| 1665 | Q | 70.2 | Confident | 70.5 | Confident | 76 Ų | 76 | 83.9 Ų | 83.9 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68 | -46.7 | 176.3 | -177.3 | 63.6 | 12.6 | 0 | 0 | 111.1 | K1661 H1662 M1667 R1668 E1669 | K1661-Q1665 PolarHBondContact O-N 3.27Å; H1662-Q1665 PolarHBondContact O-N 2.8Å; Q1665-M1667 VanDerWaalsContact C-N 3.33Å; Q1665-M1667 PolarHBondContact O-N 3.46Å; Q1665-R1668 WeakPolarHBondContact O-CA 3.23Å; Q1665-R1668 WeakPolarHBondContact O-CB 2.91Å; Q1665-R1668 PolarHBondContact O-N 3.09Å; Q1665-E1669 PolarHBondContact NE2-OE1 3.2Å; Q1665-E1669 WeakPolarHBondContact O-CG 3.34Å; Q1665-E1669 PolarHBondContact O-N 3.3Å |
| 1666 | V | 68.7 | Low | 71.6 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 32% | 0.321 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.6 | -46.1 | 175.1 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | H1662 R1668 E1669 Q1670 | H1662-V1666 WeakPolarHBondContact O-CG2 3.47Å; H1662-V1666 PolarHBondContact O-N 2.81Å; V1666-R1668 PolarHBondContact O-N 3.27Å; V1666-E1669 PolarHBondContact O-N 3.32Å; V1666-E1669 VanDerWaalsContact O-N 3.16Å; V1666-Q1670 HydrophobicContact CG1-CG 4.41Å; V1666-Q1670 WeakPolarHBondContact O-CG 3.31Å; V1666-Q1670 PolarHBondContact O-N 3.07Å |
| 1667 | M | 67.2 | Low | 72.3 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 174.3 | -78.6 | -170.8 | -75.8 | 0 | 0 | 113.2 | E1663 Q1665 E1669 Q1670 I1671 | E1663-M1667 WeakPolarHBondContact O-CB 3.38Å; E1663-M1667 WeakPolarHBondContact O-CE 3.22Å; E1663-M1667 WeakPolarHBondContact O-CG 3.45Å; E1663-M1667 PolarHBondContact O-N 2.72Å; Q1665-M1667 VanDerWaalsContact C-N 3.33Å; Q1665-M1667 PolarHBondContact O-N 3.46Å; M1667-E1669 VanDerWaalsContact C-N 3.26Å; M1667-E1669 PolarHBondContact O-N 2.6Å; M1667-Q1670 PolarHBondContact O-N 3.03Å; M1667-I1671 PolarHBondContact O-N 3.39Å |
| 1668 | R | 71.7 | Confident | 72.6 | Confident | 137 Ų | 137 | 72 Ų | 72 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.7 | -26.7 | 175.7 | -78.1 | 169 | 169.6 | 179.9 | -1.5 | 113.1 | L1664 Q1665 V1666 I1671 R1672 | L1664-R1668 VanDerWaalsContact O-CG 3.29Å; L1664-R1668 WeakPolarHBondContact O-CG 3.19Å; L1664-R1668 PolarHBondContact O-N 3.13Å; Q1665-R1668 WeakPolarHBondContact O-CA 3.23Å; Q1665-R1668 WeakPolarHBondContact O-CB 2.91Å; Q1665-R1668 PolarHBondContact O-N 3.09Å; V1666-R1668 PolarHBondContact O-N 3.27Å; R1668-I1671 WeakPolarHBondContact O-CG1 3.31Å; R1668-R1672 WeakPolarHBondContact O-CG 3.15Å |
| 1669 | E | 69.1 | Low | 73.4 | Confident | 36 Ų | 36 | 72.4 Ų | 72.4 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -87.1 | -35.2 | 177.8 | -65.7 | -172.6 | -173.7 | 0 | 0 | 112.3 | R1344 Q1665 V1666 M1667 I1671 R1672 R1681 | R1344-E1669 IonicContact CZ-OE1 3.81Å; R1344-E1669 IonicContact CZ-OE2 2.6Å; R1344-E1669 VanDerWaalsContact CZ-OE2 3.31Å; R1344-E1669 IonicContact NH1-OE1 3.4Å; R1344-E1669 PolarHBondContact NH1-OE1 2.91Å; R1344-E1669 IonicContact NH1-OE2 2.92Å; R1344-E1669 PolarHBondContact NH1-OE2 3.06Å; R1344-E1669 IonicContact NH2-OE1 2.69Å; R1344-E1669 IonicContact NH2-OE2 3.53Å; R1344-E1669 PolarHBondContact NH2-OE2 3.24Å; Q1665-E1669 PolarHBondContact NE2-OE1 3.2Å; Q1665-E1669 WeakPolarHBondContact O-CG 3.34Å; Q1665-E1669 PolarHBondContact O-N 3.3Å; V1666-E1669 PolarHBondContact O-N 3.32Å; V1666-E1669 VanDerWaalsContact O-N 3.16Å; M1667-E1669 VanDerWaalsContact C-N 3.26Å; M1667-E1669 PolarHBondContact O-N 2.6Å; E1669-I1671 PolarHBondContact O-N 2.95Å; E1669-R1672 PolarHBondContact O-N 3.24Å; E1669-R1681 PolarHBondContact O-NH2 3.43Å |
| 1670 | Q | 72.5 | Confident | 74 | Confident | 120 Ų | 120 | 65.6 Ų | 65.6 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.3 | -23.8 | 172.7 | -73.5 | 178.3 | 4.5 | 0 | 0 | 113.8 | V1666 M1667 R1681 | V1666-Q1670 HydrophobicContact CG1-CG 4.41Å; V1666-Q1670 WeakPolarHBondContact O-CG 3.31Å; V1666-Q1670 PolarHBondContact O-N 3.07Å; M1667-Q1670 PolarHBondContact O-N 3.03Å; Q1670-R1681 WeakPolarHBondContact O-CD 3.28Å; Q1670-R1681 PolarHBondContact O-NE 3.33Å; Q1670-R1681 VanDerWaalsContact O-NE 3.08Å; Q1670-R1681 PolarHBondContact O-NH1 3.49Å; Q1670-R1681 VanDerWaalsContact O-NH1 3.16Å; Q1670-R1681 PolarHBondContact O-NH2 3.01Å |
| 1671 | I | 77 | Confident | 74.9 | Confident | 109 Ų | 109 | 66.2 Ų | 66.2 | 56% | 0.559 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -12.4 | 176.3 | 63.6 | 174.6 | 0 | 0 | 0 | 114.7 | M1667 R1668 E1669 S1680 R1681 | M1667-I1671 PolarHBondContact O-N 3.39Å; R1668-I1671 WeakPolarHBondContact O-CG1 3.31Å; E1669-I1671 PolarHBondContact O-N 2.95Å; I1671-S1680 CarbonylContact O-C 3.41Å; I1671-S1680 WeakPolarHBondContact O-CA 3.2Å; I1671-R1681 PolarHBondContact O-N 3.32Å |
| 1672 | R | 80.2 | Confident | 75.7 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -84.9 | 139.9 | -178.2 | -79.4 | 171.8 | 175.2 | 165.1 | -0.6 | 111.9 | R1668 E1669 R1681 | R1668-R1672 WeakPolarHBondContact O-CG 3.15Å; E1669-R1672 PolarHBondContact O-N 3.24Å; R1672-R1681 WeakPolarHBondContact O-CG 3.46Å; R1672-R1681 PolarHBondContact O-NE 3.13Å; R1672-R1681 PolarHBondContact O-NH2 2.99Å |
| 1673 | C | 82.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -57.9 | 129.4 | 175.4 | 165.9 | 0 | 0 | 0 | 0 | 111.2 | I1675 L1677 R1679 C1692 | C1673-I1675 PolarHBondContact O-N 2.84Å; C1673-I1675 PolarHBondContact SG-N 3.17Å; C1673-L1677 VanDerWaalsContact O-CA 3.26Å; C1673-L1677 WeakPolarHBondContact O-CA 3.48Å; C1673-L1677 PolarHBondContact O-N 2.84Å; C1673-R1679 WeakPolarHBondContact CB-O 3.48Å; C1673-R1679 PolarHBondContact N-O 3.12Å; C1673-C1692 HydrophobicContact CB-CB 3.71Å; C1673-C1692 PolarHBondContact SG-N 2.83Å; C1673-C1692 VanDerWaalsContact SG-SG 3.61Å | ||
| 1674 | P | 75 | Confident | 77.3 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.9 | -178.9 | 27.4 | -37.1 | 0 | 0 | 0 | 113.7 | L1341 A1690 T1691 I1704 | L1341-P1674 WeakPolarHBondContact CD2-O 3.35Å; P1674-A1690 VanDerWaalsContact CD-O 3.25Å; P1674-A1690 WeakPolarHBondContact CD-O 3.43Å; P1674-T1691 HydrophobicContact CG-CG2 4.14Å; P1674-I1704 HydrophobicContact CG-CD1 4.03Å |
| 1675 | I | 76.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -47 | -177.5 | -54.7 | 173.1 | 0 | 0 | 0 | 111.6 | L1336 I1337 C1673 T1691 C1695 V1699 P1703 | L1336-I1675 HydrophobicContact CB-CG2 4.33Å; L1336-I1675 VanDerWaalsContact O-CG2 3.25Å; L1336-I1675 WeakPolarHBondContact O-CG2 3.39Å; I1337-I1675 WeakPolarHBondContact CA-O 3.37Å; I1337-I1675 HydrophobicContact CB-CG2 4.36Å; I1337-I1675 HydrophobicContact CG2-CG2 3.55Å; I1337-I1675 WeakPolarHBondContact CG2-O 3.46Å; C1673-I1675 PolarHBondContact O-N 2.84Å; C1673-I1675 PolarHBondContact SG-N 3.17Å; I1675-T1691 HydrophobicContact CD1-CG2 3.54Å; I1675-T1691 HydrophobicContact CG1-CG2 4.01Å; I1675-C1695 HydrophobicContact CB-CB 3.72Å; I1675-C1695 HydrophobicContact CD1-CB 3.65Å; I1675-C1695 HydrophobicContact CG1-CB 4.25Å; I1675-C1695 HydrophobicContact CG2-CB 3.76Å; I1675-V1699 HydrophobicContact CD1-CG1 3.96Å; I1675-V1699 HydrophobicContact CD1-CG2 4.44Å; I1675-P1703 HydrophobicContact CD1-CG 4.04Å; I1675-P1703 HydrophobicContact CG1-CG 4.09Å |
| 1676 | C | 78.8 | Confident | 78.7 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -18.2 | -178.3 | 66 | 0 | 0 | 0 | 0 | 114.9 | K1338 K1339 D1678 R1679 C1692 | K1338-C1676 HydrophobicContact CB-CB 4.11Å; K1338-C1676 HydrophobicContact CG-CB 4.25Å; K1339-C1676 WeakPolarHBondContact CD-O 3.41Å; K1339-C1676 WeakPolarHBondContact CG-O 3.32Å; C1676-D1678 HydrophobicContact CB-CB 4.46Å; C1676-D1678 WeakPolarHBondContact O-CB 3.39Å; C1676-D1678 PolarHBondContact O-N 3.41Å; C1676-D1678 VanDerWaalsContact O-N 3.13Å; C1676-R1679 PolarHBondContact SG-N 3.05Å; C1676-R1679 VanDerWaalsContact SG-N 3.44Å; C1676-C1692 PolarHBondContact SG-SG 3.05Å |
| 1677 | L | 75.8 | Confident | 79.3 | Confident | 31 Ų | 31 | 53.4 Ų | 53.4 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 50.5 | 33.6 | -176.8 | -57.7 | 172.9 | 0 | 0 | 0 | 113.1 | K1339 R1344 C1673 | K1339-L1677 HydrophobicContact CB-CB 4.48Å; K1339-L1677 HydrophobicContact CD-CB 4.09Å; K1339-L1677 PolarHBondContact NZ-O 3.33Å; R1344-L1677 HydrophobicContact CB-CD1 4.33Å; R1344-L1677 HydrophobicContact CG-CD1 3.91Å; C1673-L1677 VanDerWaalsContact O-CA 3.26Å; C1673-L1677 WeakPolarHBondContact O-CA 3.48Å; C1673-L1677 PolarHBondContact O-N 2.84Å |
| 1678 | D | 72.9 | Confident | 79.9 | Confident | 106 Ų | 106 | 52.8 Ų | 52.8 | 57% | 0.567 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -141.5 | -62.2 | -169.7 | -148.1 | 39.2 | 0 | 0 | 0 | 111.5 | K1339 C1676 | K1339-D1678 WeakPolarHBondContact CE-OD1 3.37Å; K1339-D1678 IonicContact NZ-OD1 2.71Å; K1339-D1678 PolarHBondContact NZ-OD1 2.99Å; C1676-D1678 HydrophobicContact CB-CB 4.46Å; C1676-D1678 WeakPolarHBondContact O-CB 3.39Å; C1676-D1678 PolarHBondContact O-N 3.41Å; C1676-D1678 VanDerWaalsContact O-N 3.13Å |
| 1679 | R | 81.6 | Confident | 80.7 | Confident | 81 Ų | 81 | 49.4 Ų | 49.4 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -72.7 | 159.4 | 171.8 | -51.5 | -169 | -155.5 | -100.6 | 14.6 | 111.5 | C1673 C1676 C1692 | C1673-R1679 WeakPolarHBondContact CB-O 3.48Å; C1673-R1679 PolarHBondContact N-O 3.12Å; C1676-R1679 PolarHBondContact SG-N 3.05Å; C1676-R1679 VanDerWaalsContact SG-N 3.44Å; R1679-C1692 HydrophobicContact CB-CB 3.6Å; R1679-C1692 HydrophobicContact CG-CB 4.35Å |
| 1680 | S | 82.5 | Confident | 81.5 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 16% | 0.161 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 164.9 | 172.8 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | P18 G19 I1671 N1682 C1692 | P18-S1680 PolarHBondContact O-OG 3.42Å; G19-S1680 PolarHBondContact N-OG 3.28Å; I1671-S1680 CarbonylContact O-C 3.41Å; I1671-S1680 WeakPolarHBondContact O-CA 3.2Å; S1680-N1682 PolarHBondContact O-N 2.91Å; S1680-C1692 WeakPolarHBondContact O-CA 3.41Å; S1680-C1692 WeakPolarHBondContact O-CB 3.42Å |
| 1681 | R | 85.4 | Confident | 82.3 | Confident | 93 Ų | 93 | 42.7 Ų | 42.7 | 35% | 0.351 | 22% | 0.224 | S | C | . | . | trans | -78.1 | 106.4 | 168.4 | -68.6 | 176.9 | -165.5 | -175.1 | 7.6 | 109 | E1669 Q1670 I1671 R1672 A1690 T1691 | E1669-R1681 PolarHBondContact O-NH2 3.43Å; Q1670-R1681 WeakPolarHBondContact O-CD 3.28Å; Q1670-R1681 PolarHBondContact O-NE 3.33Å; Q1670-R1681 VanDerWaalsContact O-NE 3.08Å; Q1670-R1681 PolarHBondContact O-NH1 3.49Å; Q1670-R1681 VanDerWaalsContact O-NH1 3.16Å; Q1670-R1681 PolarHBondContact O-NH2 3.01Å; I1671-R1681 PolarHBondContact O-N 3.32Å; R1672-R1681 WeakPolarHBondContact O-CG 3.46Å; R1672-R1681 PolarHBondContact O-NE 3.13Å; R1672-R1681 PolarHBondContact O-NH2 2.99Å; R1681-A1690 HydrophobicContact CB-CB 3.84Å; R1681-A1690 HydrophobicContact CG-CB 4.23Å; R1681-T1691 CarbonylContact C-O 3.5Å; R1681-T1691 WeakPolarHBondContact CA-O 3.5Å | ||
| 1682 | N | 87.6 | Confident | 82.9 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | trans | -133.1 | 7.5 | -176.3 | 88 | -74.5 | 0 | 0 | 0 | 115.8 | P18 S1680 T1691 C1692 Q1693 I1714 L1715 | P18-N1682 HydrophobicContact CB-CB 4.17Å; P18-N1682 HydrophobicContact CG-CB 3.23Å; P18-N1682 VanDerWaalsContact CG-CG 3.41Å; P18-N1682 VanDerWaalsContact CG-ND2 3.34Å; P18-N1682 WeakPolarHBondContact CG-ND2 3.17Å; S1680-N1682 PolarHBondContact O-N 2.91Å; N1682-T1691 PolarHBondContact N-O 3.37Å; N1682-C1692 WeakPolarHBondContact OD1-CA 3.32Å; N1682-Q1693 PolarHBondContact OD1-N 2.64Å; N1682-I1714 CarbonylContact O-C 3.52Å; N1682-I1714 WeakPolarHBondContact O-CA 3.5Å; N1682-L1715 PolarHBondContact O-N 2.79Å | ||
| 1683 | L | 87.7 | Confident | 83.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 111.4 | 173.4 | -173.7 | 158.9 | 0 | 0 | 0 | 108.9 | F1685 A1690 T1691 Q1693 D1697 R1712 I1713 | L1683-F1685 HydrophobicContact CD2-CD1 3.76Å; L1683-F1685 HydrophobicContact CD2-CE1 3.45Å; L1683-F1685 VanDerWaalsContact CD2-CE1 3.45Å; L1683-F1685 HydrophobicContact CD2-CZ 4.08Å; L1683-A1690 CarbonylContact O-C 3.26Å; L1683-A1690 WeakPolarHBondContact O-CA 3.33Å; L1683-T1691 PolarHBondContact N-O 2.83Å; L1683-T1691 PolarHBondContact O-N 3.23Å; L1683-T1691 PolarHBondContact O-OG1 3.16Å; L1683-Q1693 HydrophobicContact CB-CB 4.4Å; L1683-Q1693 HydrophobicContact CD1-CB 4.2Å; L1683-Q1693 HydrophobicContact CD1-CG 4.22Å; L1683-D1697 WeakPolarHBondContact CD1-OD1 3.3Å; L1683-R1712 HydrophobicContact CD1-CB 4.09Å; L1683-R1712 HydrophobicContact CD1-CG 4.43Å; L1683-R1712 HydrophobicContact CD2-CB 3.85Å; L1683-R1712 HydrophobicContact CD2-CG 3.94Å; L1683-R1712 HydrophobicContact CG-CB 4.11Å; L1683-I1713 CarbonylContact C-O 3.59Å; L1683-I1713 WeakPolarHBondContact CA-O 3.47Å |
| 1684 | V | 89.3 | Confident | 83.3 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.3 | 178.7 | 170.9 | 0 | 0 | 0 | 0 | 109.7 | H1689 A1690 I1713 L1715 | V1684-H1689 CarbonylContact C-O 3.4Å; V1684-H1689 WeakPolarHBondContact CA-O 3.02Å; V1684-A1690 HydrophobicContact CG2-CB 3.81Å; V1684-I1713 HydrophobicContact CB-CB 4.39Å; V1684-I1713 PolarHBondContact N-O 2.92Å; V1684-I1713 PolarHBondContact O-N 2.89Å; V1684-L1715 HydrophobicContact CG2-CD1 3.67Å; V1684-L1715 HydrophobicContact CG2-CD2 3.98Å; V1684-L1715 HydrophobicContact CG2-CG 3.82Å |
| 1685 | F | 89.4 | Confident | 83.7 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 157.1 | 169 | -50.3 | -63.6 | 0 | 0 | 0 | 110.5 | L1683 C1687 G1688 H1689 T1691 V1699 C1702 V1709 R1712 | L1683-F1685 HydrophobicContact CD2-CD1 3.76Å; L1683-F1685 HydrophobicContact CD2-CE1 3.45Å; L1683-F1685 VanDerWaalsContact CD2-CE1 3.45Å; L1683-F1685 HydrophobicContact CD2-CZ 4.08Å; F1685-C1687 PolarHBondContact O-N 3.47Å; F1685-G1688 PolarHBondContact O-N 3.32Å; F1685-H1689 WeakPolarHBondContact CD2-O 3.31Å; F1685-H1689 PolarHBondContact N-O 2.79Å; F1685-T1691 HydrophobicContact CE2-CG2 3.55Å; F1685-T1691 HydrophobicContact CZ-CG2 3.83Å; F1685-T1691 WeakPolarHBondContact CZ-OG1 3.29Å; F1685-V1699 HydrophobicContact CE1-CG2 4.07Å; F1685-V1699 HydrophobicContact CE2-CG2 4.45Å; F1685-V1699 HydrophobicContact CZ-CG2 3.54Å; F1685-C1702 HydrophobicContact CB-CB 4.41Å; F1685-C1702 HydrophobicContact CD2-CB 3.68Å; F1685-C1702 VanDerWaalsContact CD2-SG 3.5Å; F1685-C1702 HydrophobicContact CE2-CB 4.16Å; F1685-C1702 HydrophobicContact CG-CB 4.16Å; F1685-V1709 HydrophobicContact CD1-CB 4.24Å; F1685-V1709 HydrophobicContact CD1-CG1 3.52Å; F1685-V1709 HydrophobicContact CD1-CG2 3.62Å; F1685-V1709 HydrophobicContact CE1-CG1 3.98Å; F1685-V1709 HydrophobicContact CE1-CG2 3.79Å; F1685-V1709 HydrophobicContact CG-CG1 4.49Å; F1685-V1709 HydrophobicContact CG-CG2 4.16Å; F1685-V1709 HydrophobicContact CZ-CG2 4.47Å; F1685-R1712 HydrophobicContact CD1-CG 4.31Å; F1685-R1712 HydrophobicContact CE1-CG 4.38Å |
| 1686 | M | 81.5 | Confident | 84.1 | Confident | 116 Ų | 116 | 39.3 Ų | 39.3 | 57% | 0.571 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -14.3 | -178.2 | -128 | 177.4 | 78.7 | 0 | 0 | 115.4 | G1688 E1710 S1711 | M1686-G1688 VanDerWaalsContact C-N 3.28Å; M1686-G1688 PolarHBondContact O-N 2.93Å; M1686-E1710 WeakPolarHBondContact CE-OE2 3.47Å; M1686-S1711 WeakPolarHBondContact CB-OG 3.41Å; M1686-S1711 VanDerWaalsContact CG-OG 3.25Å; M1686-S1711 WeakPolarHBondContact CG-OG 3.28Å; M1686-S1711 PolarHBondContact N-O 3.24Å; M1686-S1711 PolarHBondContact SD-OG 3.44Å |
| 1687 | C | 82.4 | Confident | 84.4 | Confident | 32 Ų | 32 | 43 Ų | 43 | 22% | 0.216 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 8.3 | 169.5 | 80.3 | 0 | 0 | 0 | 0 | 115 | F1685 H1689 C1705 | F1685-C1687 PolarHBondContact O-N 3.47Å; C1687-H1689 PolarHBondContact SG-ND1 3.49Å; C1687-H1689 VanDerWaalsContact SG-ND1 3.4Å; C1687-C1705 HydrophobicContact CB-CB 3.95Å; C1687-C1705 WeakPolarHBondContact CB-SG 3.39Å; C1687-C1705 WeakPolarHBondContact SG-CB 3.19Å; C1687-C1705 CovalentContact SG-SG 2.04Å; C1687-C1705 PolarHBondContact SG-SG 3.36Å |
| 1688 | G | 78.5 | Confident | 84.6 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 59% | 0.588 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 89.3 | -9.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1685 M1686 | F1685-G1688 PolarHBondContact O-N 3.32Å; M1686-G1688 VanDerWaalsContact C-N 3.28Å; M1686-G1688 PolarHBondContact O-N 2.93Å |
| 1689 | H | 89.2 | Confident | 84.9 | Confident | 67 Ų | 67 | 42 Ų | 42 | 31% | 0.31 | 21% | 0.214 | S | C | . | . | trans | -88 | 148.8 | -177.9 | -70.1 | 114.5 | 0 | 0 | 0 | 113.2 | V1684 F1685 C1687 C1702 I1704 C1705 | V1684-H1689 CarbonylContact C-O 3.4Å; V1684-H1689 WeakPolarHBondContact CA-O 3.02Å; F1685-H1689 WeakPolarHBondContact CD2-O 3.31Å; F1685-H1689 PolarHBondContact N-O 2.79Å; C1687-H1689 PolarHBondContact SG-ND1 3.49Å; C1687-H1689 VanDerWaalsContact SG-ND1 3.4Å; H1689-C1702 VanDerWaalsContact CB-SG 3.52Å; H1689-I1704 HydrophobicContact CB-CB 4.12Å; H1689-I1704 HydrophobicContact CB-CD1 4.03Å; H1689-I1704 VanDerWaalsContact CD2-CG2 3.43Å; H1689-I1704 WeakPolarHBondContact CD2-CG2 3.21Å; H1689-I1704 VanDerWaalsContact NE2-CG2 3.35Å; H1689-I1704 WeakPolarHBondContact NE2-CG2 3.42Å; H1689-C1705 WeakPolarHBondContact ND1-CB 3.39Å | ||
| 1690 | A | 86.1 | Confident | 84.8 | Confident | 15 Ų | 15 | 43 Ų | 43 | 12% | 0.124 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1674 R1681 L1683 V1684 | P1674-A1690 VanDerWaalsContact CD-O 3.25Å; P1674-A1690 WeakPolarHBondContact CD-O 3.43Å; R1681-A1690 HydrophobicContact CB-CB 3.84Å; R1681-A1690 HydrophobicContact CG-CB 4.23Å; L1683-A1690 CarbonylContact O-C 3.26Å; L1683-A1690 WeakPolarHBondContact O-CA 3.33Å; V1684-A1690 HydrophobicContact CG2-CB 3.81Å |
| 1691 | T | 88.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 178.7 | 174.4 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | P1674 I1675 R1681 N1682 L1683 F1685 G1696 P1703 | P1674-T1691 HydrophobicContact CG-CG2 4.14Å; I1675-T1691 HydrophobicContact CD1-CG2 3.54Å; I1675-T1691 HydrophobicContact CG1-CG2 4.01Å; R1681-T1691 CarbonylContact C-O 3.5Å; R1681-T1691 WeakPolarHBondContact CA-O 3.5Å; N1682-T1691 PolarHBondContact N-O 3.37Å; L1683-T1691 PolarHBondContact N-O 2.83Å; L1683-T1691 PolarHBondContact O-N 3.23Å; L1683-T1691 PolarHBondContact O-OG1 3.16Å; F1685-T1691 HydrophobicContact CE2-CG2 3.55Å; F1685-T1691 HydrophobicContact CZ-CG2 3.83Å; F1685-T1691 WeakPolarHBondContact CZ-OG1 3.29Å; T1691-G1696 VanDerWaalsContact OG1-CA 3.28Å; T1691-G1696 WeakPolarHBondContact OG1-CA 3.4Å; T1691-P1703 HydrophobicContact CG2-CG 4.05Å |
| 1692 | C | 90.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -84.4 | 149.8 | 161.6 | 70.6 | 0 | 0 | 0 | 0 | 108.6 | C1673 C1676 R1679 S1680 N1682 W1694 C1695 G1696 | C1673-C1692 HydrophobicContact CB-CB 3.71Å; C1673-C1692 PolarHBondContact SG-N 2.83Å; C1673-C1692 VanDerWaalsContact SG-SG 3.61Å; C1676-C1692 PolarHBondContact SG-SG 3.05Å; R1679-C1692 HydrophobicContact CB-CB 3.6Å; R1679-C1692 HydrophobicContact CG-CB 4.35Å; S1680-C1692 WeakPolarHBondContact O-CA 3.41Å; S1680-C1692 WeakPolarHBondContact O-CB 3.42Å; N1682-C1692 WeakPolarHBondContact OD1-CA 3.32Å; C1692-W1694 VanDerWaalsContact C-N 3.33Å; C1692-W1694 PolarHBondContact O-N 2.76Å; C1692-C1695 PolarHBondContact O-N 2.96Å; C1692-G1696 PolarHBondContact O-N 3.23Å | ||
| 1693 | Q | 88 | Confident | 83.9 | Confident | 44 Ų | 44 | 38.5 Ų | 38.5 | 21% | 0.206 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -48.6 | -53.3 | -177.9 | 175.9 | 174.1 | 3.7 | 0 | 0 | 112.2 | N1682 L1683 C1695 G1696 D1697 | N1682-Q1693 PolarHBondContact OD1-N 2.64Å; L1683-Q1693 HydrophobicContact CB-CB 4.4Å; L1683-Q1693 HydrophobicContact CD1-CB 4.2Å; L1683-Q1693 HydrophobicContact CD1-CG 4.22Å; Q1693-C1695 PolarHBondContact O-N 2.73Å; Q1693-G1696 PolarHBondContact O-N 2.71Å; Q1693-D1697 VanDerWaalsContact CG-OD2 3.24Å; Q1693-D1697 WeakPolarHBondContact CG-OD2 3.35Å; Q1693-D1697 WeakPolarHBondContact O-CB 3.47Å; Q1693-D1697 PolarHBondContact O-N 3.37Å; Q1693-D1697 VanDerWaalsContact O-OD2 3.1Å |
| 1694 | W | 81.7 | Confident | 83.4 | Confident | 121 Ų | 121 | 42.2 Ų | 42.2 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -56 | -21.7 | -179.3 | -155.3 | 85.3 | 0 | 0 | 0 | 115.4 | K1338 C1692 Q1698 | K1338-W1694 HydrophobicContact CD-CZ3 4.41Å; K1338-W1694 VanDerWaalsContact CE-CH2 3.48Å; C1692-W1694 VanDerWaalsContact C-N 3.33Å; C1692-W1694 PolarHBondContact O-N 2.76Å; W1694-Q1698 WeakPolarHBondContact O-CG 3.35Å |
| 1695 | C | 84.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -103.7 | -29 | 173.4 | -66.2 | 0 | 0 | 0 | 0 | 112.6 | L1336 I1675 C1692 Q1693 Q1698 | L1336-C1695 PolarHBondContact O-SG 3.43Å; I1675-C1695 HydrophobicContact CB-CB 3.72Å; I1675-C1695 HydrophobicContact CD1-CB 3.65Å; I1675-C1695 HydrophobicContact CG1-CB 4.25Å; I1675-C1695 HydrophobicContact CG2-CB 3.76Å; C1692-C1695 PolarHBondContact O-N 2.96Å; Q1693-C1695 PolarHBondContact O-N 2.73Å; C1695-Q1698 PolarHBondContact O-N 3.41Å |
| 1696 | G | 85.1 | Confident | 82.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.9 | -30.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1691 C1692 Q1693 Q1698 R1712 | T1691-G1696 VanDerWaalsContact OG1-CA 3.28Å; T1691-G1696 WeakPolarHBondContact OG1-CA 3.4Å; C1692-G1696 PolarHBondContact O-N 3.23Å; Q1693-G1696 PolarHBondContact O-N 2.71Å; G1696-Q1698 PolarHBondContact O-N 3.24Å; G1696-R1712 PolarHBondContact O-NE 3.34Å |
| 1697 | D | 83.6 | Confident | 82 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -23.7 | 173.3 | -61.8 | -26.1 | 0 | 0 | 0 | 112.1 | L1683 Q1693 | L1683-D1697 WeakPolarHBondContact CD1-OD1 3.3Å; Q1693-D1697 VanDerWaalsContact CG-OD2 3.24Å; Q1693-D1697 WeakPolarHBondContact CG-OD2 3.35Å; Q1693-D1697 WeakPolarHBondContact O-CB 3.47Å; Q1693-D1697 PolarHBondContact O-N 3.37Å; Q1693-D1697 VanDerWaalsContact O-OD2 3.1Å |
| 1698 | Q | 80.4 | Confident | 81.8 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 51% | 0.514 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -10.8 | -173.6 | -57.7 | -67.8 | -27.7 | 0 | 0 | 114.4 | L1336 W1694 C1695 G1696 | L1336-Q1698 HydrophobicContact CB-CB 4.49Å; L1336-Q1698 HydrophobicContact CD1-CB 3.89Å; L1336-Q1698 WeakPolarHBondContact CD1-O 3.46Å; L1336-Q1698 HydrophobicContact CD2-CB 3.55Å; L1336-Q1698 HydrophobicContact CD2-CG 4.06Å; L1336-Q1698 HydrophobicContact CG-CB 4.15Å; W1694-Q1698 WeakPolarHBondContact O-CG 3.35Å; C1695-Q1698 PolarHBondContact O-N 3.41Å; G1696-Q1698 PolarHBondContact O-N 3.24Å |
| 1699 | V | 79.2 | Confident | 81.9 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | trans | -106 | 133 | -177.2 | -65.5 | 0 | 0 | 0 | 0 | 112.1 | V1311 L1336 I1675 F1685 A1701 R1712 | V1311-V1699 HydrophobicContact CG1-CG1 4.12Å; L1336-V1699 HydrophobicContact CD1-CG1 3.76Å; I1675-V1699 HydrophobicContact CD1-CG1 3.96Å; I1675-V1699 HydrophobicContact CD1-CG2 4.44Å; F1685-V1699 HydrophobicContact CE1-CG2 4.07Å; F1685-V1699 HydrophobicContact CE2-CG2 4.45Å; F1685-V1699 HydrophobicContact CZ-CG2 3.54Å; V1699-A1701 WeakPolarHBondContact CB-O 3.45Å; V1699-R1712 PolarHBondContact O-NH2 3.32Å | ||
| 1700 | T | 80.4 | Confident | 81.5 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -85.4 | -34.6 | 177.6 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | V1709 | T1700-V1709 WeakPolarHBondContact O-CB 3.49Å; T1700-V1709 WeakPolarHBondContact O-CG2 3.37Å; T1700-V1709 PolarHBondContact O-N 2.95Å |
| 1701 | A | 81.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -112 | 151.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | V1699 R1707 | V1699-A1701 WeakPolarHBondContact CB-O 3.45Å; A1701-R1707 WeakPolarHBondContact CA-O 3.23Å |
| 1702 | C | 82.1 | Confident | 81.1 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | trans | -73.8 | 127.8 | 177 | 166.5 | 0 | 0 | 0 | 0 | 110.8 | F1685 H1689 I1704 C1705 R1706 R1707 | F1685-C1702 HydrophobicContact CB-CB 4.41Å; F1685-C1702 HydrophobicContact CD2-CB 3.68Å; F1685-C1702 VanDerWaalsContact CD2-SG 3.5Å; F1685-C1702 HydrophobicContact CE2-CB 4.16Å; F1685-C1702 HydrophobicContact CG-CB 4.16Å; H1689-C1702 VanDerWaalsContact CB-SG 3.52Å; C1702-I1704 PolarHBondContact O-N 3.05Å; C1702-C1705 WeakPolarHBondContact CB-SG 3.34Å; C1702-C1705 PolarHBondContact SG-SG 3.35Å; C1702-R1706 VanDerWaalsContact O-CA 3.32Å; C1702-R1706 WeakPolarHBondContact O-CA 3.39Å; C1702-R1706 PolarHBondContact O-N 2.9Å; C1702-R1707 PolarHBondContact N-O 3.12Å | ||
| 1703 | P | 71.9 | Confident | 80.7 | Confident | 26 Ų | 26 | 64 Ų | 64 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 1 | -175 | 33.5 | -41.5 | 0 | 0 | 0 | 115.1 | V1311 I1675 T1691 | V1311-P1703 HydrophobicContact CG1-CB 4.48Å; V1311-P1703 VanDerWaalsContact O-CA 3.29Å; V1311-P1703 WeakPolarHBondContact O-CA 3.5Å; V1311-P1703 WeakPolarHBondContact O-CB 3.46Å; I1675-P1703 HydrophobicContact CD1-CG 4.04Å; I1675-P1703 HydrophobicContact CG1-CG 4.09Å; T1691-P1703 HydrophobicContact CG2-CG 4.05Å |
| 1704 | I | 78 | Confident | 80.5 | Confident | 79 Ų | 79 | 64 Ų | 64 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -44.8 | 178.3 | -55 | 165.8 | 0 | 0 | 0 | 111.5 | P1674 H1689 C1702 | P1674-I1704 HydrophobicContact CG-CD1 4.03Å; H1689-I1704 HydrophobicContact CB-CB 4.12Å; H1689-I1704 HydrophobicContact CB-CD1 4.03Å; H1689-I1704 VanDerWaalsContact CD2-CG2 3.43Å; H1689-I1704 WeakPolarHBondContact CD2-CG2 3.21Å; H1689-I1704 VanDerWaalsContact NE2-CG2 3.35Å; H1689-I1704 WeakPolarHBondContact NE2-CG2 3.42Å; C1702-I1704 PolarHBondContact O-N 3.05Å |
| 1705 | C | 83 | Confident | 79.9 | Confident | 30 Ų | 30 | 59.3 Ų | 59.3 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -4.3 | 178.5 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | C1687 H1689 C1702 R1707 | C1687-C1705 HydrophobicContact CB-CB 3.95Å; C1687-C1705 WeakPolarHBondContact CB-SG 3.39Å; C1687-C1705 WeakPolarHBondContact SG-CB 3.19Å; C1687-C1705 CovalentContact SG-SG 2.04Å; C1687-C1705 PolarHBondContact SG-SG 3.36Å; H1689-C1705 WeakPolarHBondContact ND1-CB 3.39Å; C1702-C1705 WeakPolarHBondContact CB-SG 3.34Å; C1702-C1705 PolarHBondContact SG-SG 3.35Å; C1705-R1707 HydrophobicContact CB-CG 4.34Å; C1705-R1707 PolarHBondContact O-N 3.08Å |
| 1706 | R | 72.6 | Confident | 78.7 | Confident | 123 Ų | 123 | 66.8 Ų | 66.8 | 46% | 0.464 | 33% | 0.328 | S | S | . | . | trans | 56.7 | -1.6 | -172.8 | -55.9 | 177.9 | 175.1 | -142.8 | -4.2 | 116.2 | E1308 S1313 C1702 | E1308-R1706 IonicContact OE1-NH1 3.26Å; E1308-R1706 PolarHBondContact OE1-NH1 2.62Å; E1308-R1706 IonicContact OE2-CZ 2.7Å; E1308-R1706 IonicContact OE2-NH1 2.69Å; E1308-R1706 PolarHBondContact OE2-NH1 2.71Å; E1308-R1706 IonicContact OE2-NH2 3.71Å; E1308-R1706 PolarHBondContact OE2-NH2 3.13Å; S1313-R1706 VanDerWaalsContact CB-CZ 3.43Å; S1313-R1706 VanDerWaalsContact OG-CZ 3.31Å; S1313-R1706 PolarHBondContact OG-NE 3.2Å; C1702-R1706 VanDerWaalsContact O-CA 3.32Å; C1702-R1706 WeakPolarHBondContact O-CA 3.39Å; C1702-R1706 PolarHBondContact O-N 2.9Å | ||
| 1707 | R | 76.1 | Confident | 78.4 | Confident | 168 Ų | 168 | 70.2 Ų | 70.2 | 63% | 0.634 | 34% | 0.344 | S | S | * | . | trans | -72.7 | 146.4 | 176.5 | -57.3 | -177.6 | -173.1 | 158.1 | 4.6 | 111 | A1701 C1702 C1705 | A1701-R1707 WeakPolarHBondContact CA-O 3.23Å; C1702-R1707 PolarHBondContact N-O 3.12Å; C1705-R1707 HydrophobicContact CB-CG 4.34Å; C1705-R1707 PolarHBondContact O-N 3.08Å | ||
| 1708 | A | 78.3 | Confident | 78.2 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 61% | 0.612 | 34% | 0.34 | S | S | * | . | B | Isolated β-bridge | trans | -54.7 | 145.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1710 | A1708-E1710 PolarHBondContact O-N 3.4Å |
| 1709 | V | 79.8 | Confident | 78 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 13% | 0.127 | 33% | 0.331 | C | S | . | . | trans | -81.6 | 83.7 | -179.2 | 178.5 | 0 | 0 | 0 | 0 | 110 | F1685 T1700 S1711 R1712 | F1685-V1709 HydrophobicContact CD1-CB 4.24Å; F1685-V1709 HydrophobicContact CD1-CG1 3.52Å; F1685-V1709 HydrophobicContact CD1-CG2 3.62Å; F1685-V1709 HydrophobicContact CE1-CG1 3.98Å; F1685-V1709 HydrophobicContact CE1-CG2 3.79Å; F1685-V1709 HydrophobicContact CG-CG1 4.49Å; F1685-V1709 HydrophobicContact CG-CG2 4.16Å; F1685-V1709 HydrophobicContact CZ-CG2 4.47Å; T1700-V1709 WeakPolarHBondContact O-CB 3.49Å; T1700-V1709 WeakPolarHBondContact O-CG2 3.37Å; T1700-V1709 PolarHBondContact O-N 2.95Å; V1709-S1711 VanDerWaalsContact C-N 3.28Å; V1709-S1711 PolarHBondContact O-N 2.98Å; V1709-R1712 HydrophobicContact CG1-CG 3.53Å | ||
| 1710 | E | 79.6 | Confident | 78 | Confident | 150 Ų | 150 | 71.1 Ų | 71.1 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -60 | -36.2 | 174.9 | -65.7 | 175.7 | -174.3 | 0 | 0 | 112.5 | M1686 A1708 | M1686-E1710 WeakPolarHBondContact CE-OE2 3.47Å; A1708-E1710 PolarHBondContact O-N 3.4Å |
| 1711 | S | 79.8 | Confident | 77.8 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | trans | -156 | 157.4 | 173.7 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | M1686 V1709 | M1686-S1711 WeakPolarHBondContact CB-OG 3.41Å; M1686-S1711 VanDerWaalsContact CG-OG 3.25Å; M1686-S1711 WeakPolarHBondContact CG-OG 3.28Å; M1686-S1711 PolarHBondContact N-O 3.24Å; M1686-S1711 PolarHBondContact SD-OG 3.44Å; V1709-S1711 VanDerWaalsContact C-N 3.28Å; V1709-S1711 PolarHBondContact O-N 2.98Å | ||
| 1712 | R | 86.7 | Confident | 77.6 | Confident | 107 Ų | 107 | 73.6 Ų | 73.6 | 40% | 0.404 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.2 | 176.7 | -63.4 | -177.4 | -178.7 | 75.6 | 3.6 | 108.7 | L1683 F1685 G1696 V1699 V1709 | L1683-R1712 HydrophobicContact CD1-CB 4.09Å; L1683-R1712 HydrophobicContact CD1-CG 4.43Å; L1683-R1712 HydrophobicContact CD2-CB 3.85Å; L1683-R1712 HydrophobicContact CD2-CG 3.94Å; L1683-R1712 HydrophobicContact CG-CB 4.11Å; F1685-R1712 HydrophobicContact CD1-CG 4.31Å; F1685-R1712 HydrophobicContact CE1-CG 4.38Å; G1696-R1712 PolarHBondContact O-NE 3.34Å; V1699-R1712 PolarHBondContact O-NH2 3.32Å; V1709-R1712 HydrophobicContact CG1-CG 3.53Å |
| 1713 | I | 83.1 | Confident | 77.3 | Confident | 68 Ų | 68 | 78.7 Ų | 78.7 | 35% | 0.349 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 106.8 | -178.9 | -55.8 | 173.5 | 0 | 0 | 0 | 107.5 | L1683 V1684 L1715 | L1683-I1713 CarbonylContact C-O 3.59Å; L1683-I1713 WeakPolarHBondContact CA-O 3.47Å; V1684-I1713 HydrophobicContact CB-CB 4.39Å; V1684-I1713 PolarHBondContact N-O 2.92Å; V1684-I1713 PolarHBondContact O-N 2.89Å; I1713-L1715 PolarHBondContact O-N 3.33Å |
| 1714 | I | 82.5 | Confident | 77.7 | Confident | 45 Ų | 45 | 82.8 Ų | 82.8 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 127.6 | 173.8 | -61.3 | 172.8 | 0 | 0 | 0 | 108.4 | N1682 Y1716 | N1682-I1714 CarbonylContact O-C 3.52Å; N1682-I1714 WeakPolarHBondContact O-CA 3.5Å; I1714-Y1716 HydrophobicContact CB-CD2 4.39Å; I1714-Y1716 HydrophobicContact CB-CE2 3.83Å; I1714-Y1716 HydrophobicContact CG2-CD1 4.21Å; I1714-Y1716 HydrophobicContact CG2-CD2 4.08Å; I1714-Y1716 HydrophobicContact CG2-CE1 3.93Å; I1714-Y1716 HydrophobicContact CG2-CE2 3.8Å; I1714-Y1716 HydrophobicContact CG2-CG 4.28Å |
| 1715 | L | 69.6 | Low | 77.6 | Confident | 22 Ų | 22 | 83.1 Ų | 83.1 | 12% | 0.115 | 39% | 0.39 | C | S | . | . | trans | -86.6 | 114.6 | 167 | -57.4 | -178 | 0 | 0 | 0 | 107.9 | N1682 V1684 I1713 | N1682-L1715 PolarHBondContact O-N 2.79Å; V1684-L1715 HydrophobicContact CG2-CD1 3.67Å; V1684-L1715 HydrophobicContact CG2-CD2 3.98Å; V1684-L1715 HydrophobicContact CG2-CG 3.82Å; I1713-L1715 PolarHBondContact O-N 3.33Å | ||
| 1716 | Y | 60.6 | Low | 77.2 | Confident | 157 Ų | 157 | 87.9 Ų | 87.9 | 62% | 0.616 | 41% | 0.407 | S | S | * | . | trans | -99.4 | 0 | 170.9 | -57.3 | -89.6 | 0 | 0 | 0 | 110.2 | L15 Y21 Y260 I1714 | L15-Y1716 HydrophobicContact CD2-CE1 4.45Å; Y21-Y1716 WeakPolarHBondContact CE1-OXT 3.29Å; Y260-Y1716 PolarHBondContact OH-O 2.78Å; Y260-Y1716 VanDerWaalsContact OH-O 3.04Å; I1714-Y1716 HydrophobicContact CB-CD2 4.39Å; I1714-Y1716 HydrophobicContact CB-CE2 3.83Å; I1714-Y1716 HydrophobicContact CG2-CD1 4.21Å; I1714-Y1716 HydrophobicContact CG2-CD2 4.08Å; I1714-Y1716 HydrophobicContact CG2-CE1 3.93Å; I1714-Y1716 HydrophobicContact CG2-CE2 3.8Å; I1714-Y1716 HydrophobicContact CG2-CG 4.28Å |
Retrieved 1,716 of 1,716 residues in 1744.6 ms
(Link to these results)