| 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 | 26.5 | Very low | 58.8 | Low | 237 Ų | 237 | 91.4 Ų | 91.4 | 100% | 1.167 | 51% | 0.512 | S | S | * | . | 0 | 138.2 | 0 | -61.5 | 172.1 | 80.4 | 0 | 0 | 106 | |||||
| 2 | V | 27.1 | Very low | 61.2 | Low | 133 Ų | 133 | 84.9 Ų | 84.9 | 81% | 0.806 | 48% | 0.475 | S | S | * | . | trans | -69.1 | 139.4 | 179.4 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | H4 | V2-H4 PolarHBondContact O-N 3.12Š| ||
| 3 | S | 32.7 | Very low | 63.3 | Low | 92 Ų | 92 | 78.5 Ų | 78.5 | 64% | 0.643 | 44% | 0.439 | S | S | * | . | trans | -68.6 | 124.9 | -180 | 35.4 | 0 | 0 | 0 | 0 | 110.6 | N5 | S3-N5 PolarHBondContact O-N 3.47Š| ||
| 4 | H | 46.3 | Very low | 65.1 | Low | 153 Ų | 153 | 75.4 Ų | 75.4 | 71% | 0.708 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -72.8 | 17.5 | -177.7 | -79.8 | -102.3 | 0 | 0 | 0 | 114.6 | V2 | V2-H4 PolarHBondContact O-N 3.12Š|
| 5 | N | 52.8 | Low | 66.6 | Low | 68 Ų | 68 | 72.5 Ų | 72.5 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | trans | -113 | 25.9 | -170 | -62.8 | -8.3 | 0 | 0 | 0 | 112.9 | S3 A7 P75 D76 | S3-N5 PolarHBondContact O-N 3.47Å; N5-A7 PolarHBondContact O-N 2.88Å; N5-P75 HydrophobicContact CB-CB 4.22Å; N5-P75 WeakPolarHBondContact O-CB 3.24Å; N5-D76 PolarHBondContact ND2-OD1 3.02Å | ||
| 6 | A | 64.8 | Low | 67.9 | Low | 49 Ų | 49 | 69.7 Ų | 69.7 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | trans | -77.1 | 107.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | F8 | A6-F8 HydrophobicContact CB-CE2 4.04Å; A6-F8 HydrophobicContact CB-CZ 4.26Å; A6-F8 WeakPolarHBondContact O-CD2 3.49Å; A6-F8 VanDerWaalsContact O-CE2 3.23Å; A6-F8 WeakPolarHBondContact O-CE2 3.36Å | ||
| 7 | A | 71.7 | Confident | 68.9 | Low | 11 Ų | 11 | 67.8 Ų | 67.8 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 130.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | N5 V28 S31 V53 | N5-A7 PolarHBondContact O-N 2.88Å; A7-V28 HydrophobicContact CB-CG2 4.1Å; A7-S31 WeakPolarHBondContact O-CB 3.33Å; A7-V53 HydrophobicContact CB-CG1 4.08Å; A7-V53 HydrophobicContact CB-CG2 4.32Å |
| 8 | F | 77.6 | Confident | 69.8 | Low | 86 Ų | 86 | 72.8 Ų | 72.8 | 38% | 0.377 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 154.9 | -172.7 | -62.6 | -101.2 | 0 | 0 | 0 | 111.3 | A6 G10 D11 V28 L770 | A6-F8 HydrophobicContact CB-CE2 4.04Å; A6-F8 HydrophobicContact CB-CZ 4.26Å; A6-F8 WeakPolarHBondContact O-CD2 3.49Å; A6-F8 VanDerWaalsContact O-CE2 3.23Å; A6-F8 WeakPolarHBondContact O-CE2 3.36Å; F8-G10 PolarHBondContact O-N 3Å; F8-D11 PolarHBondContact N-OD2 3.41Å; F8-D11 VanDerWaalsContact O-CB 3.27Å; F8-D11 WeakPolarHBondContact O-CB 3.43Å; F8-D11 PolarHBondContact O-N 2.77Å; F8-V28 VanDerWaalsContact O-CB 3.26Å; F8-V28 WeakPolarHBondContact O-CB 3.5Å; F8-V28 WeakPolarHBondContact O-CG1 3.39Å; F8-L770 HydrophobicContact CD2-CD2 4.31Å; F8-L770 HydrophobicContact CE2-CD2 3.63Å; F8-L770 HydrophobicContact CZ-CD1 4.19Å; F8-L770 HydrophobicContact CZ-CD2 3.76Å |
| 9 | K | 79.9 | Confident | 70.5 | Confident | 124 Ų | 124 | 74.7 Ų | 74.7 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 125.6 | 171.3 | 178.8 | -177.7 | 175.9 | -178.6 | 0 | 110 | E955 | K9-E955 IonicContact NZ-OE1 2.67Å; K9-E955 PolarHBondContact NZ-OE1 2.64Å; K9-E955 IonicContact NZ-OE2 3.5Å; K9-E955 PolarHBondContact NZ-OE2 2.69Å |
| 10 | G | 79.7 | Confident | 71.1 | Confident | 50 Ų | 50 | 73.3 Ų | 73.3 | 52% | 0.515 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -12.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F8 I12 V28 | F8-G10 PolarHBondContact O-N 3Å; G10-I12 PolarHBondContact O-N 2.66Å; G10-V28 PolarHBondContact N-O 3.08Å |
| 11 | D | 87.5 | Confident | 71.7 | Confident | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.011 | 41% | 0.407 | C | S | . | . | trans | -59.6 | 134.6 | 176.8 | -77.4 | -3.7 | 0 | 0 | 0 | 111.3 | F8 V13 S27 V28 F80 R83 | F8-D11 PolarHBondContact N-OD2 3.41Å; F8-D11 VanDerWaalsContact O-CB 3.27Å; F8-D11 WeakPolarHBondContact O-CB 3.43Å; F8-D11 PolarHBondContact O-N 2.77Å; D11-V13 HydrophobicContact CB-CG1 4.16Å; D11-S27 WeakPolarHBondContact O-CA 3.44Å; D11-V28 HydrophobicContact CB-CB 4.47Å; D11-V28 HydrophobicContact CB-CG2 4.08Å; D11-V28 PolarHBondContact O-N 3.17Å; D11-F80 HydrophobicContact CB-CD2 4.34Å; D11-F80 HydrophobicContact CB-CE2 4.26Å; D11-R83 VanDerWaalsContact CG-NH2 3.31Å; D11-R83 IonicContact OD1-CZ 2.72Å; D11-R83 VanDerWaalsContact OD1-CZ 3.26Å; D11-R83 IonicContact OD1-NE 3.71Å; D11-R83 PolarHBondContact OD1-NE 2.89Å; D11-R83 IonicContact OD1-NH2 3.25Å; D11-R83 PolarHBondContact OD1-NH2 3.43Å; D11-R83 IonicContact OD2-CZ 3.96Å; D11-R83 IonicContact OD2-NE 3.67Å; D11-R83 IonicContact OD2-NH2 2.93Å; D11-R83 PolarHBondContact OD2-NH2 2.89Å | ||
| 12 | I | 87.5 | Confident | 74.5 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.6 | 170.4 | -57.5 | 168.7 | 0 | 0 | 0 | 107.4 | G10 I25 L81 D82 V372 T747 | G10-I12 PolarHBondContact O-N 2.66Å; I12-I25 HydrophobicContact CG2-CG2 4.01Å; I12-L81 HydrophobicContact CG2-CB 4.21Å; I12-L81 HydrophobicContact CG2-CD2 4.12Å; I12-L81 HydrophobicContact CG2-CG 4.49Å; I12-L81 WeakPolarHBondContact O-CA 3.43Å; I12-L81 WeakPolarHBondContact O-CB 3.35Å; I12-L81 PolarHBondContact O-N 2.86Å; I12-D82 HydrophobicContact CB-CB 4.43Å; I12-D82 WeakPolarHBondContact CB-O 3.2Å; I12-D82 HydrophobicContact CD1-CB 4.39Å; I12-D82 PolarHBondContact N-O 3.28Å; I12-D82 PolarHBondContact O-N 3.15Å; I12-V372 HydrophobicContact CD1-CG2 3.68Å; I12-V372 HydrophobicContact CG1-CG2 4.24Å; I12-T747 WeakPolarHBondContact CD1-OG1 3.23Å |
| 13 | V | 88.9 | Confident | 77.2 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 160.3 | -172 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | D11 I25 G26 V28 V55 W57 V78 H79 | D11-V13 HydrophobicContact CB-CG1 4.16Å; V13-I25 CarbonylContact O-C 3.58Å; V13-I25 WeakPolarHBondContact O-CA 3.49Å; V13-G26 WeakPolarHBondContact CG2-O 3.23Å; V13-G26 PolarHBondContact N-O 2.73Å; V13-G26 PolarHBondContact O-N 2.89Å; V13-V28 HydrophobicContact CG1-CG2 3.76Å; V13-V28 HydrophobicContact CG2-CG2 3.99Å; V13-V55 HydrophobicContact CG2-CG1 3.66Å; V13-V55 HydrophobicContact CG2-CG2 3.99Å; V13-W57 HydrophobicContact CG2-CH2 4.41Å; V13-V78 HydrophobicContact CB-CG1 3.51Å; V13-V78 HydrophobicContact CG1-CG1 3.69Å; V13-V78 HydrophobicContact CG2-CG1 3.79Å; V13-H79 CarbonylContact C-O 3.56Å; V13-H79 WeakPolarHBondContact CA-O 3.21Å; V13-H79 WeakPolarHBondContact CB-O 3.11Å |
| 14 | Y | 88.5 | Confident | 79.8 | Confident | 35 Ų | 35 | 54.4 Ų | 54.4 | 14% | 0.137 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 150.8 | 173.4 | 73.9 | -83 | 0 | 0 | 0 | 113.5 | L16 Y24 H79 L81 F403 | Y14-L16 HydrophobicContact CD2-CD2 3.89Å; Y14-L16 HydrophobicContact CD2-CG 4.01Å; Y14-L16 HydrophobicContact CE2-CD1 4.06Å; Y14-L16 HydrophobicContact CE2-CD2 3.9Å; Y14-L16 HydrophobicContact CE2-CG 3.82Å; Y14-Y24 CarbonylContact C-O 3.55Å; Y14-Y24 WeakPolarHBondContact CA-O 3.22Å; Y14-Y24 WeakPolarHBondContact CB-O 3.35Å; Y14-H79 HydrophobicContact CD1-CB 3.64Å; Y14-H79 WeakPolarHBondContact CD1-O 3.3Å; Y14-H79 HydrophobicContact CD2-CB 4.12Å; Y14-H79 HydrophobicContact CE1-CB 3.31Å; Y14-H79 HydrophobicContact CE2-CB 3.82Å; Y14-H79 AromaticContact CE2-CD2 3.51Å; Y14-H79 HydrophobicContact CG-CB 4.03Å; Y14-H79 VanDerWaalsContact CZ-CB 3.4Å; Y14-H79 AromaticContact CZ-CD2 3.82Å; Y14-H79 AromaticContact CZ-CG 3.9Å; Y14-H79 PolarHBondContact N-O 3.4Å; Y14-H79 PolarHBondContact O-N 3.28Å; Y14-L81 HydrophobicContact CD1-CB 4.16Å; Y14-L81 HydrophobicContact CD1-CD1 4.4Å; Y14-F403 HydrophobicContact CD1-CD1 4.23Å; Y14-F403 AromaticContact CD1-CE1 3.64Å; Y14-F403 HydrophobicContact CD1-CE1 3.64Å; Y14-F403 AromaticContact CD1-CZ 4Å; Y14-F403 HydrophobicContact CD1-CZ 4Å; Y14-F403 AromaticContact CD2-CD1 3.78Å; Y14-F403 HydrophobicContact CD2-CD1 3.78Å; Y14-F403 AromaticContact CD2-CD2 3.98Å; Y14-F403 HydrophobicContact CD2-CD2 3.98Å; Y14-F403 AromaticContact CD2-CE1 3.79Å; Y14-F403 HydrophobicContact CD2-CE1 3.79Å; Y14-F403 AromaticContact CD2-CE2 3.98Å; Y14-F403 HydrophobicContact CD2-CE2 3.98Å; Y14-F403 AromaticContact CD2-CG 3.89Å; Y14-F403 HydrophobicContact CD2-CG 3.89Å; Y14-F403 AromaticContact CD2-CZ 3.89Å; Y14-F403 HydrophobicContact CD2-CZ 3.89Å; Y14-F403 HydrophobicContact CE1-CD1 4.02Å; Y14-F403 AromaticContact CE1-CE1 3.79Å; Y14-F403 HydrophobicContact CE1-CE1 3.79Å; Y14-F403 HydrophobicContact CE2-CB 4.14Å; Y14-F403 AromaticContact CE2-CD1 3.55Å; Y14-F403 HydrophobicContact CE2-CD1 3.55Å; Y14-F403 HydrophobicContact CE2-CD2 4.34Å; Y14-F403 AromaticContact CE2-CE1 3.94Å; Y14-F403 HydrophobicContact CE2-CE1 3.94Å; Y14-F403 AromaticContact CE2-CG 3.78Å; Y14-F403 HydrophobicContact CE2-CG 3.78Å; Y14-F403 HydrophobicContact CE2-CZ 4.49Å; Y14-F403 HydrophobicContact CG-CD1 4.12Å; Y14-F403 AromaticContact CG-CE1 3.63Å; Y14-F403 HydrophobicContact CG-CE1 3.63Å; Y14-F403 HydrophobicContact CG-CE2 4.08Å; Y14-F403 AromaticContact CG-CZ 3.62Å; Y14-F403 HydrophobicContact CG-CZ 3.62Å; Y14-F403 AromaticContact CZ-CD1 3.68Å; Y14-F403 AromaticContact CZ-CE1 3.95Å |
| 15 | Y | 87.7 | Confident | 81.7 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 13% | 0.125 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128 | 178.1 | 169 | -120.8 | 0 | 0 | 0 | 110.9 | H17 A23 Y24 W57 L73 E77 | Y15-H17 HydrophobicContact CD1-CB 4.35Å; Y15-H17 HydrophobicContact CE1-CB 3.81Å; Y15-A23 VanDerWaalsContact O-CA 3.31Å; Y15-A23 WeakPolarHBondContact O-CA 3.42Å; Y15-Y24 HydrophobicContact CD1-CD2 4.17Å; Y15-Y24 PolarHBondContact N-O 3.48Å; Y15-Y24 PolarHBondContact O-N 3.19Å; Y15-W57 HydrophobicContact CG-CH2 4.46Å; Y15-L73 HydrophobicContact CD1-CD1 4.46Å; Y15-L73 HydrophobicContact CD2-CD1 3.68Å; Y15-L73 HydrophobicContact CD2-CD2 4.47Å; Y15-L73 HydrophobicContact CE2-CD1 4.19Å; Y15-L73 HydrophobicContact CE2-CD2 4.16Å; Y15-L73 HydrophobicContact CG-CD1 3.84Å; Y15-E77 WeakPolarHBondContact CD2-O 3.24Å |
| 16 | L | 87.1 | Confident | 83.2 | Confident | 28 Ų | 28 | 44 Ų | 44 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 90.4 | -179.3 | -65.6 | -177.2 | 0 | 0 | 0 | 111.6 | Y14 K18 A23 Y400 F403 | Y14-L16 HydrophobicContact CD2-CD2 3.89Å; Y14-L16 HydrophobicContact CD2-CG 4.01Å; Y14-L16 HydrophobicContact CE2-CD1 4.06Å; Y14-L16 HydrophobicContact CE2-CD2 3.9Å; Y14-L16 HydrophobicContact CE2-CG 3.82Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.22Å; L16-A23 HydrophobicContact CD2-CB 3.63Å; L16-Y400 HydrophobicContact CB-CE2 4.29Å; L16-Y400 HydrophobicContact CD2-CD2 4Å; L16-Y400 HydrophobicContact CD2-CE2 4.34Å; L16-F403 HydrophobicContact CD2-CB 4.03Å; L16-F403 HydrophobicContact CD2-CD2 4.38Å; L16-F403 HydrophobicContact CD2-CG 4.44Å |
| 17 | H | 85.5 | Confident | 84.1 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 17% | 0.171 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 84.5 | 175.4 | -169.6 | -120.5 | 0 | 0 | 0 | 111.7 | Y15 T20 K21 S22 Y24 | Y15-H17 HydrophobicContact CD1-CB 4.35Å; Y15-H17 HydrophobicContact CE1-CB 3.81Å; H17-T20 PolarHBondContact ND1-OG1 3.27Å; H17-T20 PolarHBondContact O-N 3.41Å; H17-K21 PolarHBondContact O-N 2.93Å; H17-K21 VanDerWaalsContact O-N 3.11Å; H17-S22 WeakPolarHBondContact CA-O 3.49Å; H17-S22 PolarHBondContact N-O 2.86Å; H17-S22 PolarHBondContact O-N 3.22Å; H17-Y24 HydrophobicContact CB-CD2 4.37Å; H17-Y24 HydrophobicContact CB-CE2 4.04Å |
| 18 | K | 83.9 | Confident | 84.7 | Confident | 159 Ų | 159 | 43 Ų | 43 | 69% | 0.691 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.6 | -41.1 | -179 | -66.1 | 160.3 | -172 | 163 | 0 | 114.2 | L16 T20 K21 | L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.22Å; K18-T20 PolarHBondContact O-N 3.03Å; K18-K21 PolarHBondContact O-N 3.13Å |
| 19 | P | 83.4 | Confident | 84.9 | Confident | 109 Ų | 109 | 42.5 Ų | 42.5 | 71% | 0.708 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -38.8 | -178.5 | -25.5 | 35.8 | 0 | 0 | 0 | 115.4 | ||
| 20 | T | 82 | Confident | 84.4 | Confident | 45 Ų | 45 | 41 Ų | 41 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -2.9 | 178.1 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | H17 K18 S22 Q397 | H17-T20 PolarHBondContact ND1-OG1 3.27Å; H17-T20 PolarHBondContact O-N 3.41Å; K18-T20 PolarHBondContact O-N 3.03Å; T20-S22 VanDerWaalsContact C-N 3.28Å; T20-S22 WeakPolarHBondContact CB-OG 3.48Å; T20-S22 PolarHBondContact O-N 3.41Å; T20-S22 VanDerWaalsContact OG1-CB 3.22Å; T20-S22 WeakPolarHBondContact OG1-CB 3.39Å; T20-S22 PolarHBondContact OG1-OG 2.61Å; T20-Q397 PolarHBondContact O-NE2 2.86Å |
| 21 | K | 85.2 | Confident | 83.5 | Confident | 135 Ų | 135 | 40.4 Ų | 40.4 | 59% | 0.587 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 49.3 | -166.8 | -63.2 | -171.9 | 176.5 | -170.9 | 0 | 111.4 | H17 K18 Q397 Y400 | H17-K21 PolarHBondContact O-N 2.93Å; H17-K21 VanDerWaalsContact O-N 3.11Å; K18-K21 PolarHBondContact O-N 3.13Å; K21-Q397 WeakPolarHBondContact O-CA 3.3Å; K21-Q397 WeakPolarHBondContact O-CG 3.3Å; K21-Y400 VanDerWaalsContact C-CD2 3.48Å; K21-Y400 HydrophobicContact CB-CD1 3.73Å; K21-Y400 HydrophobicContact CB-CE1 3.73Å; K21-Y400 HydrophobicContact CB-CG 4.14Å; K21-Y400 HydrophobicContact CD-CE1 4.21Å; K21-Y400 HydrophobicContact CG-CD1 4.37Å; K21-Y400 HydrophobicContact CG-CE1 3.88Å; K21-Y400 WeakPolarHBondContact O-CB 3.29Å; K21-Y400 VanDerWaalsContact O-CG 3.24Å |
| 22 | S | 84 | Confident | 82 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.6 | 179.8 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | H17 T20 | H17-S22 WeakPolarHBondContact CA-O 3.49Å; H17-S22 PolarHBondContact N-O 2.86Å; H17-S22 PolarHBondContact O-N 3.22Å; T20-S22 VanDerWaalsContact C-N 3.28Å; T20-S22 WeakPolarHBondContact CB-OG 3.48Å; T20-S22 PolarHBondContact O-N 3.41Å; T20-S22 VanDerWaalsContact OG1-CB 3.22Å; T20-S22 WeakPolarHBondContact OG1-CB 3.39Å; T20-S22 PolarHBondContact OG1-OG 2.61Å |
| 23 | A | 85.5 | Confident | 80.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y15 L16 E396 L399 Y400 F403 | Y15-A23 VanDerWaalsContact O-CA 3.31Å; Y15-A23 WeakPolarHBondContact O-CA 3.42Å; L16-A23 HydrophobicContact CD2-CB 3.63Å; A23-E396 PolarHBondContact N-O 2.92Å; A23-E396 WeakPolarHBondContact O-CB 3.47Å; A23-L399 HydrophobicContact CB-CB 3.85Å; A23-Y400 HydrophobicContact CB-CD2 4.44Å; A23-F403 HydrophobicContact CB-CD2 3.64Å; A23-F403 HydrophobicContact CB-CE2 4.05Å |
| 24 | Y | 86.2 | Confident | 78 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.3 | -179.7 | -63.4 | -80.4 | 0 | 0 | 0 | 108.7 | Y14 Y15 H17 I69 R394 E396 | Y14-Y24 CarbonylContact C-O 3.55Å; Y14-Y24 WeakPolarHBondContact CA-O 3.22Å; Y14-Y24 WeakPolarHBondContact CB-O 3.35Å; Y15-Y24 HydrophobicContact CD1-CD2 4.17Å; Y15-Y24 PolarHBondContact N-O 3.48Å; Y15-Y24 PolarHBondContact O-N 3.19Å; H17-Y24 HydrophobicContact CB-CD2 4.37Å; H17-Y24 HydrophobicContact CB-CE2 4.04Å; Y24-I69 HydrophobicContact CD1-CD1 3.52Å; Y24-I69 HydrophobicContact CD1-CG1 4.37Å; Y24-I69 HydrophobicContact CD2-CD1 4.5Å; Y24-I69 HydrophobicContact CE1-CD1 3.43Å; Y24-I69 VanDerWaalsContact CE1-CD1 3.43Å; Y24-I69 HydrophobicContact CE1-CG1 4.12Å; Y24-I69 HydrophobicContact CE2-CD1 4.43Å; Y24-I69 HydrophobicContact CE2-CG1 4.3Å; Y24-I69 HydrophobicContact CG-CD1 4.09Å; Y24-R394 PolarHBondContact OH-NH1 3.32Å; Y24-E396 HydrophobicContact CD1-CG 4.03Å; Y24-E396 HydrophobicContact CE1-CB 4.25Å; Y24-E396 HydrophobicContact CE1-CG 3.55Å; Y24-E396 WeakPolarHBondContact CE1-OE1 3.4Å; Y24-E396 PolarHBondContact OH-OE1 3.49Å |
| 25 | I | 86.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.3 | 175.7 | -61.7 | 175.6 | 0 | 0 | 0 | 107.5 | I12 V13 R58 L81 L399 F403 Y745 A746 | I12-I25 HydrophobicContact CG2-CG2 4.01Å; V13-I25 CarbonylContact O-C 3.58Å; V13-I25 WeakPolarHBondContact O-CA 3.49Å; I25-R58 PolarHBondContact O-N 3.04Å; I25-L81 HydrophobicContact CD1-CD2 4.17Å; I25-L81 HydrophobicContact CG2-CD2 4.25Å; I25-L399 HydrophobicContact CD1-CD1 3.66Å; I25-L399 HydrophobicContact CD1-CD2 3.92Å; I25-L399 HydrophobicContact CD1-CG 4.46Å; I25-L399 HydrophobicContact CG1-CD1 3.94Å; I25-F403 HydrophobicContact CD1-CE2 3.93Å; I25-F403 HydrophobicContact CD1-CZ 3.72Å; I25-F403 HydrophobicContact CG1-CE2 4.02Å; I25-F403 HydrophobicContact CG1-CZ 3.95Å; I25-Y745 HydrophobicContact CB-CE1 4.32Å; I25-Y745 HydrophobicContact CD1-CD1 4.17Å; I25-Y745 HydrophobicContact CD1-CE1 4.4Å; I25-A746 HydrophobicContact CD1-CB 4.05Å; I25-A746 HydrophobicContact CG2-CB 4.29Å |
| 26 | G | 84.3 | Confident | 73 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V13 D56 | V13-G26 WeakPolarHBondContact CG2-O 3.23Å; V13-G26 PolarHBondContact N-O 2.73Å; V13-G26 PolarHBondContact O-N 2.89Å; G26-D56 CarbonylContact C-O 3.51Å; G26-D56 WeakPolarHBondContact CA-O 3.45Å |
| 27 | S | 84.1 | Confident | 70.4 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 25% | 0.252 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.5 | 176.1 | 50.9 | 0 | 0 | 0 | 0 | 111 | D11 I29 D56 | D11-S27 WeakPolarHBondContact O-CA 3.44Å; S27-I29 PolarHBondContact O-N 3.48Å; S27-D56 PolarHBondContact N-O 3.32Å; S27-D56 VanDerWaalsContact N-O 3.09Å; S27-D56 PolarHBondContact O-N 2.82Å |
| 28 | V | 84.4 | Confident | 68 | Low | 4 Ų | 4 | 75.6 Ų | 75.6 | 2% | 0.024 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 120.2 | 179.2 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | A7 F8 G10 D11 V13 V53 V55 | A7-V28 HydrophobicContact CB-CG2 4.1Å; F8-V28 VanDerWaalsContact O-CB 3.26Å; F8-V28 WeakPolarHBondContact O-CB 3.5Å; F8-V28 WeakPolarHBondContact O-CG1 3.39Å; G10-V28 PolarHBondContact N-O 3.08Å; D11-V28 HydrophobicContact CB-CB 4.47Å; D11-V28 HydrophobicContact CB-CG2 4.08Å; D11-V28 PolarHBondContact O-N 3.17Å; V13-V28 HydrophobicContact CG1-CG2 3.76Å; V13-V28 HydrophobicContact CG2-CG2 3.99Å; V28-V53 HydrophobicContact CG1-CG1 3.85Å; V28-V53 HydrophobicContact CG2-CG1 3.92Å; V28-V55 HydrophobicContact CG2-CG2 4.38Å |
| 29 | I | 81.4 | Confident | 65.5 | Low | 75 Ų | 75 | 75.1 Ų | 75.1 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -44.4 | 178.4 | -44.5 | 174 | 0 | 0 | 0 | 110.4 | S27 K54 D56 | S27-I29 PolarHBondContact O-N 3.48Å; I29-K54 HydrophobicContact CD1-CG 4.42Å; I29-K54 PolarHBondContact N-O 3.2Å; I29-D56 HydrophobicContact CD1-CB 3.88Å; I29-D56 HydrophobicContact CG1-CB 3.91Å |
| 30 | M | 68.9 | Low | 63.5 | Low | 91 Ų | 91 | 76 Ų | 76 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 141.1 | -178.1 | -64.6 | 168.8 | 61.1 | 0 | 0 | 110.3 | K54 | M30-K54 HydrophobicContact CB-CB 4.09Å; M30-K54 HydrophobicContact CB-CD 4.26Å; M30-K54 HydrophobicContact CG-CD 4.24Å; M30-K54 PolarHBondContact N-O 3.05Å; M30-K54 PolarHBondContact O-N 3.18Å; M30-K54 HydrophobicContact SD-CD 3.75Å |
| 31 | S | 61.7 | Low | 61.3 | Low | 39 Ų | 39 | 83.5 Ų | 83.5 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 113.7 | 166.2 | 54.9 | 0 | 0 | 0 | 0 | 106.1 | A7 S33 | A7-S31 WeakPolarHBondContact O-CB 3.33Å; S31-S33 PolarHBondContact O-N 3.41Å |
| 32 | D | 56.6 | Low | 59.3 | Low | 71 Ų | 71 | 82.8 Ų | 82.8 | 38% | 0.38 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 127.1 | -179.6 | -51.8 | -47.4 | 0 | 0 | 0 | 109 | Y51 | D32-Y51 HydrophobicContact CB-CD2 4.14Å; D32-Y51 HydrophobicContact CB-CE2 4.48Å; D32-Y51 WeakPolarHBondContact O-CE2 3.43Å |
| 33 | S | 46.7 | Very low | 57.4 | Low | 111 Ų | 111 | 88.8 Ų | 88.8 | 78% | 0.776 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 140.5 | -178.7 | 42 | 0 | 0 | 0 | 0 | 110.2 | S31 | S31-S33 PolarHBondContact O-N 3.41Š|
| 34 | H | 44.5 | Very low | 54.9 | Low | 151 Ų | 151 | 98.4 Ų | 98.4 | 70% | 0.699 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 129.2 | 174.6 | -83.1 | -40.3 | 0 | 0 | 0 | 109.5 | A36 | H34-A36 PolarHBondContact O-N 3.43Å; H34-A36 VanDerWaalsContact O-N 3.13Å |
| 35 | P | 35.9 | Very low | 52.6 | Low | 118 Ų | 118 | 104 Ų | 104 | 77% | 0.766 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 122.5 | 177.4 | 23.6 | -32.8 | 0 | 0 | 0 | 109.1 | R37 | P35-R37 PolarHBondContact O-N 2.91Š|
| 36 | A | 35.4 | Very low | 50.1 | Low | 81 Ų | 81 | 112.1 Ų | 112.1 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -57 | 124.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | H34 N38 | H34-A36 PolarHBondContact O-N 3.43Å; H34-A36 VanDerWaalsContact O-N 3.13Å; A36-N38 PolarHBondContact O-N 3.45Å |
| 37 | R | 32.2 | Very low | 47.6 | Very low | 230 Ų | 230 | 118 Ų | 118 | 87% | 0.868 | 64% | 0.639 | S | S | * | * | trans | -84 | 54.7 | -165.4 | -158.8 | -178 | -172.4 | 177 | 4.2 | 112.5 | P35 | P35-R37 PolarHBondContact O-N 2.91Š| ||
| 38 | N | 34.8 | Very low | 45.4 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | trans | -71.8 | 128.2 | 176 | -71.6 | 6.3 | 0 | 0 | 0 | 109.6 | A36 T40 | A36-N38 PolarHBondContact O-N 3.45Å; N38-T40 PolarHBondContact O-N 2.91Å | ||
| 39 | N | 31.9 | Very low | 43.8 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | trans | -93.3 | 97 | -174.9 | -63.7 | -58.9 | 0 | 0 | 0 | 111.2 | ||||
| 40 | T | 42.3 | Very low | 42.6 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | -136.5 | 132.7 | 163.1 | 37.8 | 0 | 0 | 0 | 0 | 110.8 | N38 V42 | N38-T40 PolarHBondContact O-N 2.91Å; T40-V42 PolarHBondContact O-N 3.24Å | ||
| 41 | E | 34.9 | Very low | 42.5 | Very low | 204 Ų | 204 | 132.4 Ų | 132.4 | 95% | 0.953 | 71% | 0.709 | S | S | * | * | trans | -82.7 | 93.4 | -171.9 | -62.8 | -176.2 | 132.4 | 0 | 0 | 112 | ||||
| 42 | V | 44.4 | Very low | 43 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | trans | -128.8 | 101.6 | 175.3 | -171.7 | 0 | 0 | 0 | 0 | 112 | T40 | T40-V42 PolarHBondContact O-N 3.24Š| ||
| 43 | T | 42.3 | Very low | 43.9 | Very low | 127 Ų | 127 | 129 Ų | 129 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | 40 | 113 | 159.5 | 59.4 | 0 | 0 | 0 | 0 | 119.6 | D45 | T43-D45 PolarHBondContact O-N 3.27Š| ||
| 44 | H | 33.7 | Very low | 45.7 | Very low | 202 Ų | 202 | 127.5 Ų | 127.5 | 94% | 0.935 | 67% | 0.669 | S | S | * | * | trans | -61.5 | 103.3 | 165.1 | -73 | -83.6 | 0 | 0 | 0 | 113.2 | ||||
| 45 | D | 37.7 | Very low | 47.5 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 66% | 0.658 | 64% | 0.635 | S | S | * | * | trans | -162.3 | 130.8 | 140 | -140.8 | -1.4 | 0 | 0 | 0 | 112.6 | T43 | T43-D45 PolarHBondContact O-N 3.27Š| ||
| 46 | K | 34.2 | Very low | 49.7 | Very low | 170 Ų | 170 | 117.4 Ų | 117.4 | 74% | 0.739 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 55.6 | 82.4 | 161 | -57.1 | 169.3 | -170.8 | 103.3 | 0 | 120 | ||
| 47 | C | 32.3 | Very low | 52 | Low | 126 Ų | 126 | 114.9 Ų | 114.9 | 85% | 0.851 | 59% | 0.586 | S | S | * | * | -176.8 | 102.9 | 119.3 | -97.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 48 | E | 36.4 | Very low | 54 | Low | 198 Ų | 198 | 106.9 Ų | 106.9 | 93% | 0.925 | 56% | 0.556 | S | S | * | * | trans | -95.7 | 86.2 | 159.4 | -69.9 | -175.8 | 148 | 0 | 0 | 108.4 | E50 | E48-E50 PolarHBondContact O-N 2.92Š| ||
| 49 | S | 50.8 | Low | 55.6 | Low | 110 Ų | 110 | 102.5 Ų | 102.5 | 77% | 0.769 | 53% | 0.534 | S | S | * | . | trans | -74.4 | 106.8 | 170.5 | 54.8 | 0 | 0 | 0 | 0 | 109.4 | Y51 | S49-Y51 PolarHBondContact O-N 3.41Š| ||
| 50 | E | 57.4 | Low | 57.2 | Low | 131 Ų | 131 | 95.5 Ų | 95.5 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | trans | -60 | 127.2 | 175.6 | -60.6 | -168.1 | 106.2 | 0 | 0 | 110.8 | E48 T52 K74 | E48-E50 PolarHBondContact O-N 2.92Å; E50-T52 PolarHBondContact O-N 3.08Å; E50-K74 IonicContact OE1-NZ 2.75Å; E50-K74 PolarHBondContact OE1-NZ 3.3Å; E50-K74 VanDerWaalsContact OE2-CE 3.23Å; E50-K74 WeakPolarHBondContact OE2-CE 3.48Å; E50-K74 IonicContact OE2-NZ 3.8Å; E50-K74 PolarHBondContact OE2-NZ 3.36Å | ||
| 51 | Y | 65.9 | Low | 57.8 | Low | 69 Ų | 69 | 90.1 Ų | 90.1 | 27% | 0.271 | 47% | 0.466 | S | S | . | . | trans | -58.5 | 125.7 | 176.1 | 168.6 | -132.2 | 0 | 0 | 0 | 110.9 | D32 S49 P75 | D32-Y51 HydrophobicContact CB-CD2 4.14Å; D32-Y51 HydrophobicContact CB-CE2 4.48Å; D32-Y51 WeakPolarHBondContact O-CE2 3.43Å; S49-Y51 PolarHBondContact O-N 3.41Å; Y51-P75 HydrophobicContact CD1-CG 3.37Å; Y51-P75 HydrophobicContact CE1-CB 4.21Å; Y51-P75 HydrophobicContact CE1-CG 3.35Å; Y51-P75 HydrophobicContact CG-CG 4.26Å; Y51-P75 WeakPolarHBondContact O-CD 3.45Å | ||
| 52 | T | 71.9 | Confident | 58.7 | Low | 39 Ų | 39 | 85.2 Ų | 85.2 | 24% | 0.239 | 44% | 0.442 | C | S | . | . | trans | -123.7 | 153.6 | 178.3 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | E50 L73 | E50-T52 PolarHBondContact O-N 3.08Å; T52-L73 WeakPolarHBondContact CA-O 3.16Å | ||
| 53 | V | 76.8 | Confident | 58.9 | Low | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.4 | 173.7 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | A7 V28 V55 N72 L73 P75 V78 | A7-V53 HydrophobicContact CB-CG1 4.08Å; A7-V53 HydrophobicContact CB-CG2 4.32Å; V28-V53 HydrophobicContact CG1-CG1 3.85Å; V28-V53 HydrophobicContact CG2-CG1 3.92Å; V53-V55 HydrophobicContact CG1-CG2 4Å; V53-N72 WeakPolarHBondContact O-CA 3.37Å; V53-L73 PolarHBondContact N-O 2.86Å; V53-L73 PolarHBondContact O-N 2.82Å; V53-P75 HydrophobicContact CG2-CB 4.15Å; V53-P75 HydrophobicContact CG2-CG 4.04Å; V53-V78 HydrophobicContact CB-CG2 4.36Å |
| 54 | K | 84.1 | Confident | 59.1 | Low | 78 Ų | 78 | 83.3 Ų | 83.3 | 34% | 0.339 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.1 | 179.8 | -174.3 | -173.6 | 177.3 | -173 | 0 | 110.3 | I29 M30 L71 | I29-K54 HydrophobicContact CD1-CG 4.42Å; I29-K54 PolarHBondContact N-O 3.2Å; M30-K54 HydrophobicContact CB-CB 4.09Å; M30-K54 HydrophobicContact CB-CD 4.26Å; M30-K54 HydrophobicContact CG-CD 4.24Å; M30-K54 PolarHBondContact N-O 3.05Å; M30-K54 PolarHBondContact O-N 3.18Å; M30-K54 HydrophobicContact SD-CD 3.75Å; K54-L71 WeakPolarHBondContact CA-O 3.35Å |
| 55 | V | 82.7 | Confident | 59.9 | Low | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.4 | -170.2 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | V13 V28 V53 W57 L71 | V13-V55 HydrophobicContact CG2-CG1 3.66Å; V13-V55 HydrophobicContact CG2-CG2 3.99Å; V28-V55 HydrophobicContact CG2-CG2 4.38Å; V53-V55 HydrophobicContact CG1-CG2 4Å; V55-W57 HydrophobicContact CB-CD2 4.31Å; V55-W57 HydrophobicContact CB-CH2 4.11Å; V55-W57 HydrophobicContact CB-CZ2 3.62Å; V55-W57 HydrophobicContact CG1-CD2 3.85Å; V55-W57 HydrophobicContact CG1-CE3 3.9Å; V55-W57 HydrophobicContact CG1-CH2 3.7Å; V55-W57 HydrophobicContact CG1-CZ2 3.68Å; V55-W57 HydrophobicContact CG1-CZ3 3.83Å; V55-W57 HydrophobicContact CG2-CH2 4.26Å; V55-W57 HydrophobicContact CG2-CZ2 3.95Å; V55-L71 PolarHBondContact N-O 2.71Å; V55-L71 VanDerWaalsContact N-O 3.12Å |
| 56 | D | 82.1 | Confident | 60.6 | Low | 57 Ų | 57 | 77.4 Ų | 77.4 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.8 | 168 | 178.5 | 41.9 | 0 | 0 | 0 | 110.5 | G26 S27 I29 R58 | G26-D56 CarbonylContact C-O 3.51Å; G26-D56 WeakPolarHBondContact CA-O 3.45Å; S27-D56 PolarHBondContact N-O 3.32Å; S27-D56 VanDerWaalsContact N-O 3.09Å; S27-D56 PolarHBondContact O-N 2.82Å; I29-D56 HydrophobicContact CD1-CB 3.88Å; I29-D56 HydrophobicContact CG1-CB 3.91Å; D56-R58 IonicContact OD2-CZ 3.79Å; D56-R58 IonicContact OD2-NE 3.3Å; D56-R58 PolarHBondContact OD2-NE 3.13Å; D56-R58 IonicContact OD2-NH2 3.75Å; D56-R58 PolarHBondContact OD2-NH2 3.45Å |
| 57 | W | 82.9 | Confident | 61.4 | Low | 28 Ų | 28 | 74.7 Ų | 74.7 | 11% | 0.106 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.4 | -172.9 | -64.9 | 112.9 | 0 | 0 | 0 | 113.3 | V13 Y15 V55 I69 P70 L73 | V13-W57 HydrophobicContact CG2-CH2 4.41Å; Y15-W57 HydrophobicContact CG-CH2 4.46Å; V55-W57 HydrophobicContact CB-CD2 4.31Å; V55-W57 HydrophobicContact CB-CH2 4.11Å; V55-W57 HydrophobicContact CB-CZ2 3.62Å; V55-W57 HydrophobicContact CG1-CD2 3.85Å; V55-W57 HydrophobicContact CG1-CE3 3.9Å; V55-W57 HydrophobicContact CG1-CH2 3.7Å; V55-W57 HydrophobicContact CG1-CZ2 3.68Å; V55-W57 HydrophobicContact CG1-CZ3 3.83Å; V55-W57 HydrophobicContact CG2-CH2 4.26Å; V55-W57 HydrophobicContact CG2-CZ2 3.95Å; W57-I69 HydrophobicContact CD2-CG2 4.26Å; W57-I69 HydrophobicContact CG-CG2 3.93Å; W57-P70 PolarHBondContact NE1-O 3.17Å; W57-L73 HydrophobicContact CH2-CD1 4.27Å; W57-L73 HydrophobicContact CZ2-CD1 3.68Å |
| 58 | R | 75.6 | Confident | 62.8 | Low | 62 Ų | 62 | 71.4 Ų | 71.4 | 23% | 0.234 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 146.3 | 174.6 | -55.2 | -60 | 167.7 | 119.5 | -6.1 | 111.1 | I25 D56 V372 Y745 | I25-R58 PolarHBondContact O-N 3.04Å; D56-R58 IonicContact OD2-CZ 3.79Å; D56-R58 IonicContact OD2-NE 3.3Å; D56-R58 PolarHBondContact OD2-NE 3.13Å; D56-R58 IonicContact OD2-NH2 3.75Å; D56-R58 PolarHBondContact OD2-NH2 3.45Å; R58-V372 HydrophobicContact CG-CG1 4.13Å; R58-V372 PolarHBondContact NH1-O 3.37Å; R58-Y745 PolarHBondContact O-OH 3.15Å |
| 59 | T | 66.6 | Low | 64.3 | Low | 34 Ų | 34 | 63 Ų | 63 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | trans | -134.6 | 143.6 | -177 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | G61 Y745 | T59-G61 PolarHBondContact O-N 3.21Å; T59-G61 VanDerWaalsContact O-N 3.16Å; T59-Y745 WeakPolarHBondContact CA-OH 3.32Å; T59-Y745 PolarHBondContact N-OH 3.16Å | ||
| 60 | F | 65.8 | Low | 65.3 | Low | 3 Ų | 3 | 60.1 Ų | 60.1 | 1% | 0.013 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -78.3 | 98 | -174.4 | -72.9 | -79.2 | 0 | 0 | 0 | 111.2 | F62 V119 P395 L399 Y745 | F60-F62 VanDerWaalsContact O-CD2 3.22Å; F60-F62 WeakPolarHBondContact O-CD2 3.43Å; F60-F62 PolarHBondContact O-N 2.67Å; F60-V119 HydrophobicContact CD1-CG2 3.97Å; F60-V119 HydrophobicContact CE1-CG1 4.08Å; F60-V119 HydrophobicContact CE1-CG2 3.61Å; F60-V119 HydrophobicContact CZ-CG1 4.39Å; F60-V119 HydrophobicContact CZ-CG2 4.32Å; F60-P395 HydrophobicContact CB-CB 3.64Å; F60-P395 HydrophobicContact CB-CG 4.08Å; F60-P395 HydrophobicContact CD2-CB 3.6Å; F60-P395 HydrophobicContact CE2-CB 4.44Å; F60-P395 HydrophobicContact CG-CB 3.86Å; F60-L399 HydrophobicContact CE2-CD1 3.41Å; F60-L399 VanDerWaalsContact CE2-CD1 3.41Å; F60-L399 HydrophobicContact CE2-CG 3.64Å; F60-L399 HydrophobicContact CZ-CD1 3.74Å; F60-L399 HydrophobicContact CZ-CD2 4.3Å; F60-L399 HydrophobicContact CZ-CG 3.78Å; F60-Y745 HydrophobicContact CB-CE2 4.29Å; F60-Y745 AromaticContact CD1-CD2 3.68Å; F60-Y745 HydrophobicContact CD1-CD2 3.68Å; F60-Y745 HydrophobicContact CD1-CE1 4.43Å; F60-Y745 AromaticContact CD1-CE2 3.24Å; F60-Y745 HydrophobicContact CD1-CE2 3.24Å; F60-Y745 HydrophobicContact CD1-CG 4.42Å; F60-Y745 AromaticContact CD1-CZ 3.65Å; F60-Y745 HydrophobicContact CD2-CE1 4.34Å; F60-Y745 HydrophobicContact CD2-CE2 4.15Å; F60-Y745 AromaticContact CD2-CZ 3.7Å; F60-Y745 VanDerWaalsContact CD2-OH 3.27Å; F60-Y745 WeakPolarHBondContact CD2-OH 3.31Å; F60-Y745 HydrophobicContact CE1-CD1 4.08Å; F60-Y745 AromaticContact CE1-CD2 3.55Å; F60-Y745 HydrophobicContact CE1-CD2 3.55Å; F60-Y745 HydrophobicContact CE1-CE1 4.01Å; F60-Y745 AromaticContact CE1-CE2 3.47Å; F60-Y745 HydrophobicContact CE1-CE2 3.47Å; F60-Y745 VanDerWaalsContact CE1-CE2 3.47Å; F60-Y745 AromaticContact CE1-CG 3.85Å; F60-Y745 HydrophobicContact CE1-CG 3.85Å; F60-Y745 AromaticContact CE1-CZ 3.69Å; F60-Y745 AromaticContact CE2-CE1 3.94Å; F60-Y745 HydrophobicContact CE2-CE1 3.94Å; F60-Y745 HydrophobicContact CE2-CE2 4.36Å; F60-Y745 AromaticContact CE2-CZ 3.76Å; F60-Y745 HydrophobicContact CG-CD2 4.47Å; F60-Y745 AromaticContact CG-CE2 3.6Å; F60-Y745 HydrophobicContact CG-CE2 3.6Å; F60-Y745 AromaticContact CG-CZ 3.65Å; F60-Y745 WeakPolarHBondContact CG-OH 3.45Å; F60-Y745 HydrophobicContact CZ-CD1 4Å; F60-Y745 HydrophobicContact CZ-CD2 4.28Å; F60-Y745 AromaticContact CZ-CE1 3.75Å; F60-Y745 HydrophobicContact CZ-CE1 3.75Å; F60-Y745 HydrophobicContact CZ-CE2 4.04Å; F60-Y745 HydrophobicContact CZ-CG 4.25Å; F60-Y745 AromaticContact CZ-CZ 3.74Å; F60-Y745 PolarHBondContact N-OH 2.99Å |
| 61 | G | 55.8 | Low | 66 | Low | 12 Ų | 12 | 59.1 Ų | 59.1 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 60.1 | -5.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | T59 | T59-G61 PolarHBondContact O-N 3.21Å; T59-G61 VanDerWaalsContact O-N 3.16Å |
| 62 | F | 52.9 | Low | 66.5 | Low | 102 Ų | 102 | 60.4 Ų | 60.4 | 45% | 0.447 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -132.8 | 140.2 | -171.7 | -68.7 | -76.2 | 0 | 0 | 0 | 109.8 | F60 S64 P395 | F60-F62 VanDerWaalsContact O-CD2 3.22Å; F60-F62 WeakPolarHBondContact O-CD2 3.43Å; F60-F62 PolarHBondContact O-N 2.67Å; F62-S64 VanDerWaalsContact C-N 3.26Å; F62-S64 PolarHBondContact O-N 3.25Å; F62-P395 HydrophobicContact CD2-CG 3.95Å; F62-P395 HydrophobicContact CE2-CG 4.29Å |
| 63 | K | 49 | Very low | 66.8 | Low | 177 Ų | 177 | 58.7 Ų | 58.7 | 77% | 0.77 | 32% | 0.318 | S | S | * | . | trans | -73.3 | 82.5 | 168.7 | -62.3 | -161 | 176.6 | -160.2 | 0 | 110.1 | V185 | K63-V185 HydrophobicContact CG-CG2 3.96Š| ||
| 64 | S | 47.3 | Very low | 66.8 | Low | 29 Ų | 29 | 62.8 Ų | 62.8 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | trans | -59.7 | 149.1 | 153.4 | 54.5 | 0 | 0 | 0 | 0 | 109.3 | F62 S66 | F62-S64 VanDerWaalsContact C-N 3.26Å; F62-S64 PolarHBondContact O-N 3.25Å; S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 3.38Å | ||
| 65 | D | 50 | Low | 66.2 | Low | 118 Ų | 118 | 60 Ų | 60 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | trans | -68.2 | 86.9 | 171.8 | -64 | -60 | 0 | 0 | 0 | 110 | S67 S68 | D65-S67 PolarHBondContact O-N 3.36Å; D65-S67 VanDerWaalsContact O-N 3.13Å; D65-S68 PolarHBondContact O-N 2.71Å; D65-S68 PolarHBondContact O-OG 2.74Å | ||
| 66 | S | 51.5 | Low | 65.9 | Low | 82 Ų | 82 | 65.7 Ų | 65.7 | 57% | 0.573 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -61.9 | -17.3 | -178 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | S64 S68 I69 | S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 3.38Å; S66-S68 PolarHBondContact O-N 2.77Å; S66-I69 PolarHBondContact O-N 3.41Å; S66-I69 VanDerWaalsContact O-N 3.07Å |
| 67 | S | 51.9 | Low | 65.9 | Low | 114 Ų | 114 | 67 Ų | 67 | 80% | 0.797 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -58.7 | -2.5 | 166.3 | 53.9 | 0 | 0 | 0 | 0 | 115 | D65 | D65-S67 PolarHBondContact O-N 3.36Å; D65-S67 VanDerWaalsContact O-N 3.13Å |
| 68 | S | 60.8 | Low | 65.8 | Low | 57 Ų | 57 | 66.1 Ų | 66.1 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -103.7 | 2.4 | 174 | 61.5 | 0 | 0 | 0 | 0 | 115.1 | D65 S66 | D65-S68 PolarHBondContact O-N 2.71Å; D65-S68 PolarHBondContact O-OG 2.74Å; S66-S68 PolarHBondContact O-N 2.77Å |
| 69 | I | 69.7 | Low | 66.3 | Low | 21 Ų | 21 | 66.3 Ų | 66.3 | 11% | 0.108 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -110.9 | 131.5 | 179.4 | -48 | 167.7 | 0 | 0 | 0 | 109.3 | Y24 W57 S66 L71 | Y24-I69 HydrophobicContact CD1-CD1 3.52Å; Y24-I69 HydrophobicContact CD1-CG1 4.37Å; Y24-I69 HydrophobicContact CD2-CD1 4.5Å; Y24-I69 HydrophobicContact CE1-CD1 3.43Å; Y24-I69 VanDerWaalsContact CE1-CD1 3.43Å; Y24-I69 HydrophobicContact CE1-CG1 4.12Å; Y24-I69 HydrophobicContact CE2-CD1 4.43Å; Y24-I69 HydrophobicContact CE2-CG1 4.3Å; Y24-I69 HydrophobicContact CG-CD1 4.09Å; W57-I69 HydrophobicContact CD2-CG2 4.26Å; W57-I69 HydrophobicContact CG-CG2 3.93Å; S66-I69 PolarHBondContact O-N 3.41Å; S66-I69 VanDerWaalsContact O-N 3.07Å; I69-L71 PolarHBondContact O-N 2.95Å |
| 70 | P | 69.7 | Low | 67.3 | Low | 49 Ų | 49 | 67.8 Ų | 67.8 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | trans | -68.8 | 127.3 | 173.9 | -18.1 | 32.4 | 0 | 0 | 0 | 111.7 | W57 N72 L73 | W57-P70 PolarHBondContact NE1-O 3.17Å; P70-N72 WeakPolarHBondContact CB-O 3.36Å; P70-L73 HydrophobicContact CB-CD2 3.64Å; P70-L73 HydrophobicContact CB-CG 4.15Å; P70-L73 HydrophobicContact CG-CD2 3.79Å | ||
| 71 | L | 73 | Confident | 68.3 | Low | 111 Ų | 111 | 68.9 Ų | 68.9 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -75.5 | -32.2 | 171.7 | -77.3 | 164.2 | 0 | 0 | 0 | 112.4 | K54 V55 I69 | K54-L71 WeakPolarHBondContact CA-O 3.35Å; V55-L71 PolarHBondContact N-O 2.71Å; V55-L71 VanDerWaalsContact N-O 3.12Å; I69-L71 PolarHBondContact O-N 2.95Å |
| 72 | N | 77.4 | Confident | 69.9 | Low | 95 Ų | 95 | 68.3 Ų | 68.3 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.7 | 173.1 | -55.6 | -0.9 | 0 | 0 | 0 | 107.2 | V53 P70 | V53-N72 WeakPolarHBondContact O-CA 3.37Å; P70-N72 WeakPolarHBondContact CB-O 3.36Å |
| 73 | L | 76.7 | Confident | 71.6 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 160.1 | 174.2 | -77 | 177.3 | 0 | 0 | 0 | 110.2 | Y15 T52 V53 W57 P70 E77 V78 | Y15-L73 HydrophobicContact CD1-CD1 4.46Å; Y15-L73 HydrophobicContact CD2-CD1 3.68Å; Y15-L73 HydrophobicContact CD2-CD2 4.47Å; Y15-L73 HydrophobicContact CE2-CD1 4.19Å; Y15-L73 HydrophobicContact CE2-CD2 4.16Å; Y15-L73 HydrophobicContact CG-CD1 3.84Å; T52-L73 WeakPolarHBondContact CA-O 3.16Å; V53-L73 PolarHBondContact N-O 2.86Å; V53-L73 PolarHBondContact O-N 2.82Å; W57-L73 HydrophobicContact CH2-CD1 4.27Å; W57-L73 HydrophobicContact CZ2-CD1 3.68Å; P70-L73 HydrophobicContact CB-CD2 3.64Å; P70-L73 HydrophobicContact CB-CG 4.15Å; P70-L73 HydrophobicContact CG-CD2 3.79Å; L73-E77 HydrophobicContact CB-CB 4.33Å; L73-E77 HydrophobicContact CD1-CB 4.44Å; L73-E77 HydrophobicContact CD2-CB 4.18Å; L73-V78 HydrophobicContact CB-CG2 3.71Å; L73-V78 HydrophobicContact CD1-CG2 3.79Å; L73-V78 HydrophobicContact CG-CG2 4.42Å |
| 74 | K | 77 | Confident | 73.3 | Confident | 86 Ų | 86 | 59.2 Ų | 59.2 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | trans | -74.1 | 148 | 164.2 | -63.3 | -167.9 | 177.7 | -171 | 0 | 109.4 | E50 D76 E77 | E50-K74 IonicContact OE1-NZ 2.75Å; E50-K74 PolarHBondContact OE1-NZ 3.3Å; E50-K74 VanDerWaalsContact OE2-CE 3.23Å; E50-K74 WeakPolarHBondContact OE2-CE 3.48Å; E50-K74 IonicContact OE2-NZ 3.8Å; E50-K74 PolarHBondContact OE2-NZ 3.36Å; K74-D76 PolarHBondContact O-N 2.98Å; K74-D76 VanDerWaalsContact O-N 3.14Å; K74-E77 HydrophobicContact CB-CG 4.25Å; K74-E77 PolarHBondContact N-OE2 3.41Å; K74-E77 WeakPolarHBondContact O-CB 3.36Å; K74-E77 PolarHBondContact O-N 3.4Å | ||
| 75 | P | 72.5 | Confident | 75.3 | Confident | 19 Ų | 19 | 58 Ų | 58 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -56.2 | -35.7 | -176.1 | -21.2 | 27.6 | 0 | 0 | 0 | 113.5 | N5 Y51 V53 E77 V78 | N5-P75 HydrophobicContact CB-CB 4.22Å; N5-P75 WeakPolarHBondContact O-CB 3.24Å; Y51-P75 HydrophobicContact CD1-CG 3.37Å; Y51-P75 HydrophobicContact CE1-CB 4.21Å; Y51-P75 HydrophobicContact CE1-CG 3.35Å; Y51-P75 HydrophobicContact CG-CG 4.26Å; Y51-P75 WeakPolarHBondContact O-CD 3.45Å; V53-P75 HydrophobicContact CG2-CB 4.15Å; V53-P75 HydrophobicContact CG2-CG 4.04Å; P75-E77 PolarHBondContact O-N 3.29Å; P75-V78 PolarHBondContact O-N 2.88Å; P75-V78 VanDerWaalsContact O-N 3.12Å |
| 76 | D | 76.5 | Confident | 76.9 | Confident | 119 Ų | 119 | 55.6 Ų | 55.6 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -69.2 | -10.5 | 178.1 | -61.7 | -25.3 | 0 | 0 | 0 | 114.5 | N5 K74 | N5-D76 PolarHBondContact ND2-OD1 3.02Å; K74-D76 PolarHBondContact O-N 2.98Å; K74-D76 VanDerWaalsContact O-N 3.14Å |
| 77 | E | 80.9 | Confident | 78.6 | Confident | 84 Ų | 84 | 53.3 Ų | 53.3 | 39% | 0.393 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -93.1 | -15 | 174.6 | -56.5 | -179.8 | 115.1 | 0 | 0 | 112.3 | Y15 L73 K74 P75 | Y15-E77 WeakPolarHBondContact CD2-O 3.24Å; L73-E77 HydrophobicContact CB-CB 4.33Å; L73-E77 HydrophobicContact CD1-CB 4.44Å; L73-E77 HydrophobicContact CD2-CB 4.18Å; K74-E77 HydrophobicContact CB-CG 4.25Å; K74-E77 PolarHBondContact N-OE2 3.41Å; K74-E77 WeakPolarHBondContact O-CB 3.36Å; K74-E77 PolarHBondContact O-N 3.4Å; P75-E77 PolarHBondContact O-N 3.29Å |
| 78 | V | 82.2 | Confident | 80.3 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | trans | -98.4 | 136.3 | -178.8 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | V13 V53 L73 P75 | V13-V78 HydrophobicContact CB-CG1 3.51Å; V13-V78 HydrophobicContact CG1-CG1 3.69Å; V13-V78 HydrophobicContact CG2-CG1 3.79Å; V53-V78 HydrophobicContact CB-CG2 4.36Å; L73-V78 HydrophobicContact CB-CG2 3.71Å; L73-V78 HydrophobicContact CD1-CG2 3.79Å; L73-V78 HydrophobicContact CG-CG2 4.42Å; P75-V78 PolarHBondContact O-N 2.88Å; P75-V78 VanDerWaalsContact O-N 3.12Å | ||
| 79 | H | 86.2 | Confident | 81.6 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.5 | 175.5 | -59.4 | -38 | 0 | 0 | 0 | 110 | V13 Y14 | V13-H79 CarbonylContact C-O 3.56Å; V13-H79 WeakPolarHBondContact CA-O 3.21Å; V13-H79 WeakPolarHBondContact CB-O 3.11Å; Y14-H79 HydrophobicContact CD1-CB 3.64Å; Y14-H79 WeakPolarHBondContact CD1-O 3.3Å; Y14-H79 HydrophobicContact CD2-CB 4.12Å; Y14-H79 HydrophobicContact CE1-CB 3.31Å; Y14-H79 HydrophobicContact CE2-CB 3.82Å; Y14-H79 AromaticContact CE2-CD2 3.51Å; Y14-H79 HydrophobicContact CG-CB 4.03Å; Y14-H79 VanDerWaalsContact CZ-CB 3.4Å; Y14-H79 AromaticContact CZ-CD2 3.82Å; Y14-H79 AromaticContact CZ-CG 3.9Å; Y14-H79 PolarHBondContact N-O 3.4Å; Y14-H79 PolarHBondContact O-N 3.28Å |
| 80 | F | 87.6 | Confident | 82.6 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 28% | 0.281 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 140.2 | 172.3 | -178.3 | -96.8 | 0 | 0 | 0 | 110.9 | D11 R83 D767 | D11-F80 HydrophobicContact CB-CD2 4.34Å; D11-F80 HydrophobicContact CB-CE2 4.26Å; F80-R83 HydrophobicContact CE2-CB 3.9Å; F80-R83 HydrophobicContact CZ-CB 3.73Å; F80-D767 HydrophobicContact CD1-CB 4.09Å; F80-D767 HydrophobicContact CE1-CB 4.08Å |
| 81 | L | 86.4 | Confident | 83.7 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | -52.9 | 175.9 | -173.2 | 53.9 | 0 | 0 | 0 | 111.6 | I12 Y14 I25 F403 A746 | I12-L81 HydrophobicContact CG2-CB 4.21Å; I12-L81 HydrophobicContact CG2-CD2 4.12Å; I12-L81 HydrophobicContact CG2-CG 4.49Å; I12-L81 WeakPolarHBondContact O-CA 3.43Å; I12-L81 WeakPolarHBondContact O-CB 3.35Å; I12-L81 PolarHBondContact O-N 2.86Å; Y14-L81 HydrophobicContact CD1-CB 4.16Å; Y14-L81 HydrophobicContact CD1-CD1 4.4Å; I25-L81 HydrophobicContact CD1-CD2 4.17Å; I25-L81 HydrophobicContact CG2-CD2 4.25Å; L81-F403 HydrophobicContact CD1-CE1 3.99Å; L81-F403 HydrophobicContact CD2-CE1 4.43Å; L81-F403 HydrophobicContact CD2-CZ 4.2Å; L81-A746 HydrophobicContact CD2-CB 3.72Å |
| 82 | D | 89.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 159.1 | -179.8 | -161.8 | 20.7 | 0 | 0 | 0 | 112.3 | I12 T747 N748 S749 S766 | I12-D82 HydrophobicContact CB-CB 4.43Å; I12-D82 WeakPolarHBondContact CB-O 3.2Å; I12-D82 HydrophobicContact CD1-CB 4.39Å; I12-D82 PolarHBondContact N-O 3.28Å; I12-D82 PolarHBondContact O-N 3.15Å; D82-T747 WeakPolarHBondContact CB-O 3.5Å; D82-T747 WeakPolarHBondContact OD2-CB 3.25Å; D82-T747 PolarHBondContact OD2-OG1 3.49Å; D82-N748 WeakPolarHBondContact OD2-CA 3.35Å; D82-N748 PolarHBondContact OD2-N 3.44Å; D82-S749 WeakPolarHBondContact OD1-CB 3.43Å; D82-S749 PolarHBondContact OD1-N 2.96Å; D82-S749 VanDerWaalsContact OD2-CB 3.29Å; D82-S749 WeakPolarHBondContact OD2-CB 3.43Å; D82-S749 PolarHBondContact OD2-N 3.12Å; D82-S749 PolarHBondContact OD2-OG 2.89Å; D82-S766 WeakPolarHBondContact OD1-CB 3.45Å; D82-S766 PolarHBondContact OD1-OG 2.71Å |
| 83 | R | 87.8 | Confident | 85.3 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | trans | -141.7 | 118.6 | 168.7 | -177.8 | -170.4 | -58.5 | 108.9 | 13.7 | 107.7 | D11 F80 Y85 Y751 I769 | D11-R83 VanDerWaalsContact CG-NH2 3.31Å; D11-R83 IonicContact OD1-CZ 2.72Å; D11-R83 VanDerWaalsContact OD1-CZ 3.26Å; D11-R83 IonicContact OD1-NE 3.71Å; D11-R83 PolarHBondContact OD1-NE 2.89Å; D11-R83 IonicContact OD1-NH2 3.25Å; D11-R83 PolarHBondContact OD1-NH2 3.43Å; D11-R83 IonicContact OD2-CZ 3.96Å; D11-R83 IonicContact OD2-NE 3.67Å; D11-R83 IonicContact OD2-NH2 2.93Å; D11-R83 PolarHBondContact OD2-NH2 2.89Å; F80-R83 HydrophobicContact CE2-CB 3.9Å; F80-R83 HydrophobicContact CZ-CB 3.73Å; R83-Y85 HydrophobicContact CB-CE2 4.3Å; R83-Y85 WeakPolarHBondContact CD-OH 3.41Å; R83-Y85 HydrophobicContact CG-CE2 4.12Å; R83-Y85 PolarHBondContact NH1-OH 2.83Å; R83-Y85 VanDerWaalsContact O-CD2 3.3Å; R83-Y85 WeakPolarHBondContact O-CD2 3.5Å; R83-Y751 PolarHBondContact O-OH 2.88Å; R83-I769 PolarHBondContact NH1-O 2.96Å | ||
| 84 | S | 84.5 | Confident | 85.8 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 41% | 0.406 | 23% | 0.226 | S | C | . | . | trans | -66.2 | 145.4 | 179.2 | -55.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 85 | Y | 89 | Confident | 86.3 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | trans | -149.1 | 148.9 | 175.1 | -69.4 | -83.7 | 0 | 0 | 0 | 108.6 | R83 E89 V91 I102 Y751 I769 L770 S771 | R83-Y85 HydrophobicContact CB-CE2 4.3Å; R83-Y85 WeakPolarHBondContact CD-OH 3.41Å; R83-Y85 HydrophobicContact CG-CE2 4.12Å; R83-Y85 PolarHBondContact NH1-OH 2.83Å; R83-Y85 VanDerWaalsContact O-CD2 3.3Å; R83-Y85 WeakPolarHBondContact O-CD2 3.5Å; Y85-E89 WeakPolarHBondContact CA-OE2 3.31Å; Y85-E89 WeakPolarHBondContact CB-OE2 3.16Å; Y85-E89 WeakPolarHBondContact CD1-OE2 3.44Å; Y85-V91 HydrophobicContact CD1-CG1 3.85Å; Y85-V91 HydrophobicContact CE1-CG1 3.64Å; Y85-I102 HydrophobicContact CD1-CD1 4.2Å; Y85-I102 HydrophobicContact CG-CD1 3.88Å; Y85-Y751 HydrophobicContact CD2-CE1 4.41Å; Y85-Y751 HydrophobicContact CD2-CE2 4.1Å; Y85-Y751 AromaticContact CD2-CZ 3.87Å; Y85-Y751 PolarHBondContact N-OH 3.34Å; Y85-Y751 VanDerWaalsContact N-OH 3.16Å; Y85-I769 HydrophobicContact CD2-CD1 3.9Å; Y85-I769 HydrophobicContact CE2-CD1 3.69Å; Y85-I769 HydrophobicContact CE2-CG1 3.87Å; Y85-L770 VanDerWaalsContact OH-CA 3.31Å; Y85-L770 WeakPolarHBondContact OH-CA 3.44Å; Y85-S771 WeakPolarHBondContact CE1-OG 3.23Å; Y85-S771 PolarHBondContact OH-N 3.13Å | ||
| 86 | M | 85.4 | Confident | 87.1 | Confident | 67 Ų | 67 | 49.7 Ų | 49.7 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | trans | -98.6 | 157.9 | -179.5 | -61.3 | -60.5 | 114.6 | 0 | 0 | 112 | E89 I102 I368 | M86-E89 HydrophobicContact CB-CG 4.23Å; M86-E89 PolarHBondContact N-OE2 3.48Å; M86-E89 PolarHBondContact O-N 2.77Å; M86-I102 WeakPolarHBondContact O-CB 3.4Å; M86-I368 HydrophobicContact CE-CG2 3.62Å; M86-I368 HydrophobicContact SD-CG2 3.51Å; M86-I368 VanDerWaalsContact SD-CG2 3.51Å | ||
| 87 | P | 87.2 | Confident | 87.6 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 146.1 | 160.2 | -22.1 | 34.3 | 0 | 0 | 0 | 111.3 | E89 V105 Y892 | P87-E89 VanDerWaalsContact C-N 3.29Å; P87-E89 PolarHBondContact O-N 2.84Å; P87-V105 HydrophobicContact CG-CG2 4.07Å; P87-Y892 CarbonylContact C-O 3.06Å; P87-Y892 WeakPolarHBondContact CB-O 3.5Å |
| 88 | G | 86.5 | Confident | 88 | Confident | 19 Ų | 19 | 48 Ų | 48 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -27.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I102 Y892 | G88-I102 PolarHBondContact N-O 2.89Å; G88-Y892 WeakPolarHBondContact CA-O 3.4Å; G88-Y892 PolarHBondContact N-O 3.21Å |
| 89 | E | 88.5 | Confident | 88.4 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | trans | -62.7 | 148.8 | -178.2 | -73.1 | -166.8 | 107 | 0 | 0 | 113.9 | Y85 M86 P87 T101 I102 | Y85-E89 WeakPolarHBondContact CA-OE2 3.31Å; Y85-E89 WeakPolarHBondContact CB-OE2 3.16Å; Y85-E89 WeakPolarHBondContact CD1-OE2 3.44Å; M86-E89 HydrophobicContact CB-CG 4.23Å; M86-E89 PolarHBondContact N-OE2 3.48Å; M86-E89 PolarHBondContact O-N 2.77Å; P87-E89 VanDerWaalsContact C-N 3.29Å; P87-E89 PolarHBondContact O-N 2.84Å; E89-T101 WeakPolarHBondContact O-CA 3.28Å; E89-I102 HydrophobicContact CB-CD1 4.4Å; E89-I102 PolarHBondContact O-N 2.86Å | ||
| 90 | V | 91 | Very high | 88.7 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 22% | 0.218 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118 | -177.4 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | V99 G100 T101 F772 T776 F781 | V90-V99 HydrophobicContact CG1-CG1 3.43Å; V90-V99 VanDerWaalsContact CG1-CG1 3.43Å; V90-G100 WeakPolarHBondContact CA-O 3.49Å; V90-T101 HydrophobicContact CG2-CG2 3.98Å; V90-F772 HydrophobicContact CG1-CB 3.98Å; V90-F772 HydrophobicContact CG1-CD1 4.2Å; V90-F772 HydrophobicContact CG1-CG 4.4Å; V90-F772 WeakPolarHBondContact O-CB 3.41Å; V90-F772 PolarHBondContact O-N 3.03Å; V90-T776 HydrophobicContact CB-CG2 4.43Å; V90-T776 HydrophobicContact CG1-CG2 4.34Å; V90-T776 HydrophobicContact CG2-CG2 4.33Å; V90-F781 HydrophobicContact CG1-CE1 4.13Å; V90-F781 HydrophobicContact CG1-CE2 4.16Å; V90-F781 HydrophobicContact CG1-CZ 3.51Å; V90-F781 HydrophobicContact CG2-CE2 4.34Å; V90-F781 HydrophobicContact CG2-CZ 4.43Å |
| 91 | V | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.3 | -175.6 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | Y85 V99 G100 I102 I753 I769 L770 | Y85-V91 HydrophobicContact CD1-CG1 3.85Å; Y85-V91 HydrophobicContact CE1-CG1 3.64Å; V91-V99 CarbonylContact O-C 3.58Å; V91-V99 WeakPolarHBondContact O-CA 3.32Å; V91-G100 PolarHBondContact N-O 2.89Å; V91-G100 PolarHBondContact O-N 2.95Å; V91-I102 HydrophobicContact CG1-CD1 3.86Å; V91-I102 HydrophobicContact CG1-CG1 4.31Å; V91-I102 HydrophobicContact CG2-CD1 4.36Å; V91-I102 HydrophobicContact CG2-CG1 3.98Å; V91-I753 HydrophobicContact CG2-CD1 3.98Å; V91-I753 HydrophobicContact CG2-CG2 4.18Å; V91-I769 HydrophobicContact CB-CB 4.3Å; V91-I769 HydrophobicContact CG1-CD1 4.5Å; V91-I769 HydrophobicContact CG2-CG2 4.38Å; V91-L770 CarbonylContact C-O 3.51Å; V91-L770 VanDerWaalsContact CA-O 3.25Å; V91-L770 WeakPolarHBondContact CA-O 3.14Å; V91-L770 WeakPolarHBondContact CB-O 3.47Å |
| 92 | Q | 92.3 | Very high | 89.3 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.2 | 171.3 | -175.5 | 179.5 | 73 | 0 | 0 | 110.7 | K97 M98 V99 I769 L770 F772 | Q92-K97 HydrophobicContact CG-CD 4.43Å; Q92-K97 PolarHBondContact NE2-O 3.36Å; Q92-M98 WeakPolarHBondContact CA-O 3.35Å; Q92-V99 HydrophobicContact CB-CG2 4.41Å; Q92-V99 HydrophobicContact CG-CG2 4.37Å; Q92-I769 WeakPolarHBondContact O-CA 3.47Å; Q92-L770 PolarHBondContact N-O 3.4Å; Q92-L770 PolarHBondContact O-N 3.41Å; Q92-F772 HydrophobicContact CB-CD2 4.18Å |
| 93 | N | 92.3 | Very high | 89.4 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.102 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 126.4 | 169.3 | -174.9 | -80.6 | 0 | 0 | 0 | 111 | E95 T96 K97 M98 W755 | N93-E95 PolarHBondContact O-N 3.22Å; N93-E95 PolarHBondContact OD1-N 2.87Å; N93-E95 VanDerWaalsContact OD1-N 3.12Å; N93-T96 VanDerWaalsContact CB-OG1 3.31Å; N93-T96 WeakPolarHBondContact CB-OG1 3.2Å; N93-T96 PolarHBondContact OD1-N 2.92Å; N93-T96 PolarHBondContact OD1-OG1 3.21Å; N93-K97 WeakPolarHBondContact O-CA 3.35Å; N93-K97 PolarHBondContact O-N 2.9Å; N93-M98 PolarHBondContact N-O 3.41Å; N93-W755 HydrophobicContact CB-CH2 3.66Å; N93-W755 HydrophobicContact CB-CZ2 4.43Å; N93-W755 HydrophobicContact CB-CZ3 3.76Å |
| 94 | L | 86.9 | Confident | 89.4 | Confident | 46 Ų | 46 | 42 Ų | 42 | 24% | 0.241 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -35.5 | -174.8 | -81.4 | 172.3 | 0 | 0 | 0 | 113.9 | K97 D767 K768 L770 | L94-K97 WeakPolarHBondContact O-CE 3.31Å; L94-K97 PolarHBondContact O-NZ 2.67Å; L94-D767 WeakPolarHBondContact CD1-O 3.5Å; L94-K768 PolarHBondContact N-O 3.37Å; L94-L770 HydrophobicContact CD1-CG 4.4Å; L94-L770 HydrophobicContact CD2-CD1 3.63Å; L94-L770 HydrophobicContact CD2-CG 3.86Å; L94-L770 HydrophobicContact CG-CG 4.28Å |
| 95 | E | 87.2 | Confident | 89.7 | Confident | 148 Ų | 148 | 39.5 Ų | 39.5 | 69% | 0.692 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -46.8 | -176.1 | -60.8 | 176.6 | -173.7 | 0 | 0 | 112.3 | N93 | N93-E95 PolarHBondContact O-N 3.22Å; N93-E95 PolarHBondContact OD1-N 2.87Å; N93-E95 VanDerWaalsContact OD1-N 3.12Å |
| 96 | T | 88 | Confident | 89.8 | Confident | 87 Ų | 87 | 44.7 Ų | 44.7 | 53% | 0.534 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -14.4 | -173.3 | 62.1 | 0 | 0 | 0 | 0 | 114 | N93 M98 | N93-T96 VanDerWaalsContact CB-OG1 3.31Å; N93-T96 WeakPolarHBondContact CB-OG1 3.2Å; N93-T96 PolarHBondContact OD1-N 2.92Å; N93-T96 PolarHBondContact OD1-OG1 3.21Å; T96-M98 PolarHBondContact O-N 3.06Å; T96-M98 VanDerWaalsContact O-N 3.1Å; T96-M98 PolarHBondContact OG1-N 3.45Å |
| 97 | K | 86.7 | Confident | 90 | Very high | 115 Ų | 115 | 41.8 Ų | 41.8 | 50% | 0.5 | 21% | 0.213 | S | C | . | . | trans | 59.6 | 8.4 | -172 | -58 | -55 | -172 | -175.9 | 0 | 115.8 | Q92 N93 L94 | Q92-K97 HydrophobicContact CG-CD 4.43Å; Q92-K97 PolarHBondContact NE2-O 3.36Å; N93-K97 WeakPolarHBondContact O-CA 3.35Å; N93-K97 PolarHBondContact O-N 2.9Å; L94-K97 WeakPolarHBondContact O-CE 3.31Å; L94-K97 PolarHBondContact O-NZ 2.67Å | ||
| 98 | M | 89.7 | Confident | 90.2 | Very high | 51 Ų | 51 | 41.2 Ų | 41.2 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | trans | -68.6 | 143 | 171.8 | -173.1 | 156.5 | 60 | 0 | 0 | 111.3 | Q92 N93 T96 W755 I756 D757 | Q92-M98 WeakPolarHBondContact CA-O 3.35Å; N93-M98 PolarHBondContact N-O 3.41Å; T96-M98 PolarHBondContact O-N 3.06Å; T96-M98 VanDerWaalsContact O-N 3.1Å; T96-M98 PolarHBondContact OG1-N 3.45Å; M98-W755 HydrophobicContact CE-CB 3.68Å; M98-W755 HydrophobicContact CE-CD2 4.03Å; M98-W755 HydrophobicContact CE-CG 3.61Å; M98-W755 HydrophobicContact CG-CB 4.15Å; M98-W755 HydrophobicContact CG-CE3 4.22Å; M98-W755 HydrophobicContact SD-CB 3.89Å; M98-W755 HydrophobicContact SD-CG 4.42Å; M98-I756 HydrophobicContact CG-CG2 4Å; M98-D757 HydrophobicContact SD-CB 4.12Å | ||
| 99 | V | 91.9 | Very high | 90.4 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 147.5 | 179.5 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | V90 V91 Q92 I756 F772 F781 | V90-V99 HydrophobicContact CG1-CG1 3.43Å; V90-V99 VanDerWaalsContact CG1-CG1 3.43Å; V91-V99 CarbonylContact O-C 3.58Å; V91-V99 WeakPolarHBondContact O-CA 3.32Å; Q92-V99 HydrophobicContact CB-CG2 4.41Å; Q92-V99 HydrophobicContact CG-CG2 4.37Å; V99-I756 WeakPolarHBondContact O-CB 3.45Å; V99-I756 WeakPolarHBondContact O-CG2 3.17Å; V99-I756 PolarHBondContact O-N 2.87Å; V99-F772 HydrophobicContact CG1-CB 4.12Å; V99-F772 HydrophobicContact CG1-CD1 4.14Å; V99-F772 HydrophobicContact CG1-CD2 4.15Å; V99-F772 HydrophobicContact CG1-CG 3.86Å; V99-F772 HydrophobicContact CG2-CD2 3.73Å; V99-F772 HydrophobicContact CG2-CE2 3.72Å; V99-F772 HydrophobicContact CG2-CG 4.28Å; V99-F772 HydrophobicContact CG2-CZ 4.29Å; V99-F781 HydrophobicContact CB-CE1 4.43Å; V99-F781 HydrophobicContact CG1-CE1 3.93Å; V99-F781 HydrophobicContact CG1-CZ 3.87Å |
| 100 | G | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 170.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V90 V91 K754 | V90-G100 WeakPolarHBondContact CA-O 3.49Å; V91-G100 PolarHBondContact N-O 2.89Å; V91-G100 PolarHBondContact O-N 2.95Å; G100-K754 CarbonylContact C-O 3.47Å; G100-K754 WeakPolarHBondContact CA-O 3.38Å |
| 101 | T | 92.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 140.7 | 175.4 | 43.1 | 0 | 0 | 0 | 0 | 111.4 | E89 V90 S103 I753 K754 F781 | E89-T101 WeakPolarHBondContact O-CA 3.28Å; V90-T101 HydrophobicContact CG2-CG2 3.98Å; T101-S103 PolarHBondContact O-N 3.22Å; T101-I753 WeakPolarHBondContact O-CA 3.15Å; T101-I753 WeakPolarHBondContact O-CG2 3.35Å; T101-K754 PolarHBondContact N-O 2.78Å; T101-K754 PolarHBondContact O-N 3.11Å; T101-F781 HydrophobicContact CG2-CB 4.44Å; T101-F781 HydrophobicContact CG2-CD1 4.12Å; T101-F781 HydrophobicContact CG2-CD2 4.44Å; T101-F781 HydrophobicContact CG2-CG 4.07Å |
| 102 | I | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 123.1 | 174.6 | -64.4 | 173.4 | 0 | 0 | 0 | 108.7 | Y85 M86 G88 E89 V91 V105 Y751 I753 | Y85-I102 HydrophobicContact CD1-CD1 4.2Å; Y85-I102 HydrophobicContact CG-CD1 3.88Å; M86-I102 WeakPolarHBondContact O-CB 3.4Å; G88-I102 PolarHBondContact N-O 2.89Å; E89-I102 HydrophobicContact CB-CD1 4.4Å; E89-I102 PolarHBondContact O-N 2.86Å; V91-I102 HydrophobicContact CG1-CD1 3.86Å; V91-I102 HydrophobicContact CG1-CG1 4.31Å; V91-I102 HydrophobicContact CG2-CD1 4.36Å; V91-I102 HydrophobicContact CG2-CG1 3.98Å; I102-V105 HydrophobicContact CG2-CG2 4Å; I102-Y751 HydrophobicContact CD1-CD1 3.92Å; I102-Y751 HydrophobicContact CD1-CE1 4.31Å; I102-Y751 HydrophobicContact CD1-CG 4.49Å; I102-Y751 HydrophobicContact CG1-CD1 4.44Å; I102-Y751 HydrophobicContact CG2-CD1 3.89Å; I102-I753 HydrophobicContact CG1-CG1 4.36Å |
| 103 | S | 91.2 | Very high | 89.9 | Confident | 21 Ų | 21 | 33.6 Ų | 33.6 | 15% | 0.147 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -32.7 | 179.6 | 64.2 | 0 | 0 | 0 | 0 | 113 | T101 D752 | T101-S103 PolarHBondContact O-N 3.22Å; S103-D752 PolarHBondContact N-O 2.95Å; S103-D752 PolarHBondContact OG-O 2.84Å |
| 104 | N | 89.2 | Confident | 89.5 | Confident | 34 Ų | 34 | 32.9 Ų | 32.9 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 148.9 | -176.7 | 175.3 | 55.6 | 0 | 0 | 0 | 111 | D752 | N104-D752 HydrophobicContact CB-CB 4.19Å; N104-D752 PolarHBondContact N-O 3.42Å; N104-D752 PolarHBondContact ND2-OD2 2.58Å; N104-D752 PolarHBondContact O-N 2.83Å |
| 105 | V | 90.1 | Very high | 88.8 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.036 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134 | -179.6 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | P87 I102 I368 Y751 | P87-V105 HydrophobicContact CG-CG2 4.07Å; I102-V105 HydrophobicContact CG2-CG2 4Å; V105-I368 HydrophobicContact CB-CD1 4.2Å; V105-Y751 HydrophobicContact CB-CD1 4.48Å; V105-Y751 HydrophobicContact CB-CE1 4.33Å; V105-Y751 HydrophobicContact CG1-CD1 4.27Å; V105-Y751 HydrophobicContact CG1-CE1 3.75Å; V105-Y751 HydrophobicContact CG2-CD1 3.91Å; V105-Y751 HydrophobicContact CG2-CE1 3.79Å |
| 106 | R | 90.2 | Very high | 88.4 | Confident | 112 Ų | 112 | 27.7 Ų | 27.7 | 42% | 0.423 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.1 | 171.1 | -71 | 178.1 | -80.8 | 152 | -4.4 | 108 | V750 D752 | R106-V750 HydrophobicContact CB-CB 4.5Å; R106-V750 PolarHBondContact N-O 2.93Å; R106-V750 PolarHBondContact O-N 2.7Å; R106-D752 IonicContact CZ-OD1 3.44Å; R106-D752 IonicContact CZ-OD2 3.93Å; R106-D752 IonicContact NE-OD1 3.06Å; R106-D752 IonicContact NE-OD2 3.04Å; R106-D752 PolarHBondContact NE-OD2 3.31Å; R106-D752 IonicContact NH2-OD1 2.66Å; R106-D752 PolarHBondContact NH2-OD1 2.91Å; R106-D752 IonicContact NH2-OD2 2.97Å; R106-D752 PolarHBondContact NH2-OD2 3.17Å |
| 107 | M | 90.4 | Very high | 87.8 | Confident | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.034 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 140.8 | -176.2 | -166.7 | 160.5 | 74.5 | 0 | 0 | 111.5 | C125 F367 C370 T747 S749 | M107-C125 HydrophobicContact CB-CB 4.29Å; M107-C125 WeakPolarHBondContact O-CB 3.43Å; M107-C125 PolarHBondContact O-N 3.13Å; M107-C125 PolarHBondContact O-SG 2.82Å; M107-C125 VanDerWaalsContact O-SG 3.4Å; M107-F367 WeakPolarHBondContact CE-O 3.36Å; M107-C370 HydrophobicContact CE-CB 3.88Å; M107-T747 HydrophobicContact CE-CG2 3.93Å; M107-T747 HydrophobicContact CG-CG2 4.32Å; M107-T747 HydrophobicContact SD-CG2 3.54Å; M107-T747 VanDerWaalsContact SD-CG2 3.54Å; M107-S749 PolarHBondContact SD-OG 2.84Å; M107-S749 VanDerWaalsContact SD-OG 3.42Å |
| 108 | T | 91.8 | Very high | 87.7 | Confident | 23 Ų | 23 | 25 Ų | 25 | 14% | 0.141 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 157.6 | 167.5 | 58.9 | 0 | 0 | 0 | 0 | 109.8 | I123 Q124 T747 N748 | T108-I123 CarbonylContact C-O 3.55Å; T108-I123 WeakPolarHBondContact CA-O 3.28Å; T108-I123 WeakPolarHBondContact CB-O 3.29Å; T108-Q124 VanDerWaalsContact CG2-NE2 3.25Å; T108-T747 CarbonylContact O-C 3.42Å; T108-T747 WeakPolarHBondContact O-CA 3.25Å; T108-N748 PolarHBondContact N-O 3.08Å; T108-N748 PolarHBondContact O-N 3.08Å; T108-N748 PolarHBondContact OG1-O 3.42Å |
| 109 | A | 91 | Very high | 87.6 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 160.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | D122 I123 I744 A746 | A109-D122 PolarHBondContact O-N 3.2Å; A109-D122 VanDerWaalsContact O-N 3.17Å; A109-I123 HydrophobicContact CB-CD1 4.41Å; A109-I123 HydrophobicContact CB-CG1 4Å; A109-I123 PolarHBondContact N-O 3.45Å; A109-I123 WeakPolarHBondContact O-CG1 3.19Å; A109-I123 PolarHBondContact O-N 3.12Å; A109-I744 HydrophobicContact CB-CD1 3.95Å; A109-I744 HydrophobicContact CB-CG2 4.21Å; A109-A746 CarbonylContact C-O 3.59Å; A109-A746 VanDerWaalsContact CA-O 3.3Å; A109-A746 WeakPolarHBondContact CA-O 3.1Å |
| 110 | H | 89.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.009 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.6 | 162 | -59.7 | -5.6 | 0 | 0 | 0 | 107.7 | F121 D122 W402 Y745 A746 | H110-F121 HydrophobicContact CB-CD1 3.91Å; H110-F121 HydrophobicContact CB-CE1 4.36Å; H110-F121 AromaticContact CD2-CD1 3.86Å; H110-F121 AromaticContact CG-CD1 3.64Å; H110-F121 AromaticContact ND1-CD1 3.95Å; H110-D122 IonicContact CE1-OD1 3.53Å; H110-D122 PolarHBondContact CE1-OD1 2.9Å; H110-W402 AromaticContact CE1-CH2 3.47Å; H110-W402 VanDerWaalsContact CE1-CH2 3.47Å; H110-W402 WeakPolarHBondContact CE1-CH2 3.5Å; H110-W402 AromaticContact CE1-CZ2 3.49Å; H110-W402 VanDerWaalsContact CE1-CZ2 3.49Å; H110-W402 WeakPolarHBondContact CE1-CZ2 3.35Å; H110-W402 AromaticContact NE2-CE3 3.93Å; H110-W402 AromaticContact NE2-CH2 3.14Å; H110-W402 WeakPolarHBondContact NE2-CH2 3.46Å; H110-W402 AromaticContact NE2-CZ2 3.54Å; H110-W402 AromaticContact NE2-CZ3 3.34Å; H110-W402 VanDerWaalsContact NE2-CZ3 3.34Å; H110-W402 WeakPolarHBondContact NE2-CZ3 3.31Å; H110-Y745 WeakPolarHBondContact O-CB 3.31Å; H110-Y745 PolarHBondContact O-N 3.1Å; H110-A746 HydrophobicContact CB-CB 4.13Å; H110-A746 PolarHBondContact N-O 2.75Å |
| 111 | A | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 128.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V119 M120 I123 V742 R743 I744 | A111-V119 CarbonylContact O-C 3.47Å; A111-V119 WeakPolarHBondContact O-CA 2.97Å; A111-M120 HydrophobicContact CB-CE 4.46Å; A111-M120 PolarHBondContact N-O 3.41Å; A111-M120 PolarHBondContact O-N 2.86Å; A111-I123 HydrophobicContact CB-CD1 3.62Å; A111-I123 HydrophobicContact CB-CG1 4.29Å; A111-V742 HydrophobicContact CB-CB 4.11Å; A111-V742 HydrophobicContact CB-CG2 4.23Å; A111-R743 CarbonylContact C-O 3.58Å; A111-R743 VanDerWaalsContact CA-O 3.3Å; A111-R743 WeakPolarHBondContact CA-O 3.37Å; A111-I744 HydrophobicContact CB-CD1 4.03Å |
| 112 | E | 86.9 | Confident | 87 | Confident | 17 Ų | 17 | 25.6 Ų | 25.6 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.6 | 169.2 | -176.9 | 171.1 | -172.8 | 0 | 0 | 109.5 | L114 V119 V742 R743 | E112-L114 PolarHBondContact O-N 2.9Å; E112-L114 VanDerWaalsContact O-N 3.14Å; E112-V119 HydrophobicContact CB-CG2 4.3Å; E112-V119 HydrophobicContact CG-CG2 4.31Å; E112-V742 CarbonylContact O-C 3.55Å; E112-V742 VanDerWaalsContact O-CA 3.22Å; E112-V742 WeakPolarHBondContact O-CA 3.45Å; E112-R743 PolarHBondContact N-O 3.39Å; E112-R743 PolarHBondContact O-N 3.37Å |
| 113 | I | 88.4 | Confident | 87 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 104.9 | 168.5 | -50.7 | 179.6 | 0 | 0 | 0 | 107.1 | H116 K118 M120 I386 L734 V740 V742 | I113-H116 HydrophobicContact CB-CB 4.24Å; I113-H116 HydrophobicContact CG2-CB 3.9Å; I113-H116 PolarHBondContact O-N 3.19Å; I113-K118 HydrophobicContact CB-CB 4.19Å; I113-K118 HydrophobicContact CD1-CB 4.04Å; I113-K118 HydrophobicContact CG1-CB 4.32Å; I113-K118 PolarHBondContact N-O 3.04Å; I113-M120 HydrophobicContact CD1-CE 4.17Å; I113-M120 HydrophobicContact CD1-CG 4.06Å; I113-M120 HydrophobicContact CD1-SD 3.83Å; I113-M120 HydrophobicContact CG1-CE 3.82Å; I113-M120 HydrophobicContact CG1-CG 4.19Å; I113-M120 HydrophobicContact CG1-SD 4.12Å; I113-I386 HydrophobicContact CD1-CD1 4.14Å; I113-I386 HydrophobicContact CD1-CG2 3.91Å; I113-L734 HydrophobicContact CD1-CD1 3.94Å; I113-V740 HydrophobicContact CG2-CB 4.2Å; I113-V740 HydrophobicContact CG2-CG1 4.48Å; I113-V740 HydrophobicContact CG2-CG2 4.28Å; I113-V742 HydrophobicContact CG1-CG1 4.45Å |
| 114 | L | 82.9 | Confident | 86.9 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 147.4 | -176.1 | -69.6 | 174.8 | 0 | 0 | 0 | 111 | E112 H116 Y194 I375 P741 R743 | E112-L114 PolarHBondContact O-N 2.9Å; E112-L114 VanDerWaalsContact O-N 3.14Å; L114-H116 PolarHBondContact O-N 3.34Å; L114-H116 VanDerWaalsContact O-N 3.08Å; L114-H116 PolarHBondContact O-ND1 3.13Å; L114-Y194 HydrophobicContact CB-CE2 4.26Å; L114-Y194 HydrophobicContact CD1-CD1 4.19Å; L114-Y194 HydrophobicContact CD1-CE1 3.61Å; L114-Y194 HydrophobicContact CD1-CE2 4.33Å; L114-I375 HydrophobicContact CD1-CD1 3.93Å; L114-I375 HydrophobicContact CD1-CG1 4.13Å; L114-I375 HydrophobicContact CD1-CG2 3.65Å; L114-P741 HydrophobicContact CB-CG 4.41Å; L114-P741 HydrophobicContact CD1-CB 4.47Å; L114-P741 PolarHBondContact N-O 3.11Å; L114-R743 HydrophobicContact CD1-CB 4.15Å; L114-R743 HydrophobicContact CD2-CB 3.82Å; L114-R743 HydrophobicContact CG-CB 4.04Å |
| 115 | D | 73.3 | Confident | 87 | Confident | 39 Ų | 39 | 27.9 Ų | 27.9 | 21% | 0.209 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 9.9 | -176.2 | -72.9 | -35.2 | 0 | 0 | 0 | 116.4 | L183 Y194 Q727 | D115-L183 WeakPolarHBondContact OD1-CD1 3.35Å; D115-Y194 PolarHBondContact OD2-OH 3.47Å; D115-Q727 PolarHBondContact O-NE2 2.62Å |
| 116 | H | 76.8 | Confident | 86.7 | Confident | 45 Ų | 45 | 30.4 Ų | 30.4 | 21% | 0.208 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -3.3 | -174.7 | -70.9 | 83.8 | 0 | 0 | 0 | 116.6 | I113 L114 K118 | I113-H116 HydrophobicContact CB-CB 4.24Å; I113-H116 HydrophobicContact CG2-CB 3.9Å; I113-H116 PolarHBondContact O-N 3.19Å; L114-H116 PolarHBondContact O-N 3.34Å; L114-H116 VanDerWaalsContact O-N 3.08Å; L114-H116 PolarHBondContact O-ND1 3.13Å; H116-K118 HydrophobicContact CB-CB 4.34Å; H116-K118 HydrophobicContact CB-CD 4.22Å; H116-K118 WeakPolarHBondContact O-CG 3.35Å; H116-K118 PolarHBondContact O-N 3.21Å |
| 117 | Q | 76.7 | Confident | 86.5 | Confident | 94 Ų | 94 | 27.8 Ų | 27.8 | 44% | 0.439 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 40.9 | -174.9 | -63.7 | -175.5 | 0.1 | 0 | 0 | 113 | N388 T389 | Q117-N388 PolarHBondContact O-OD1 2.86Å; Q117-T389 PolarHBondContact O-N 3.19Å; Q117-T389 PolarHBondContact O-OG1 3.43Å |
| 118 | K | 84.8 | Confident | 86.4 | Confident | 52 Ų | 52 | 28.3 Ų | 28.3 | 23% | 0.226 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138.3 | -174 | -79.2 | 170.5 | -177.7 | -173.4 | 0 | 110.1 | I113 H116 I386 Y387 L734 | I113-K118 HydrophobicContact CB-CB 4.19Å; I113-K118 HydrophobicContact CD1-CB 4.04Å; I113-K118 HydrophobicContact CG1-CB 4.32Å; I113-K118 PolarHBondContact N-O 3.04Å; H116-K118 HydrophobicContact CB-CB 4.34Å; H116-K118 HydrophobicContact CB-CD 4.22Å; H116-K118 WeakPolarHBondContact O-CG 3.35Å; H116-K118 PolarHBondContact O-N 3.21Å; K118-I386 HydrophobicContact CB-CG2 3.68Å; K118-I386 HydrophobicContact CD-CG2 3.8Å; K118-I386 HydrophobicContact CG-CG2 3.84Å; K118-Y387 CarbonylContact C-O 3.55Å; K118-Y387 VanDerWaalsContact CA-O 3.26Å; K118-Y387 WeakPolarHBondContact CA-O 3.42Å; K118-L734 HydrophobicContact CD-CD1 3.94Å |
| 119 | V | 86.7 | Confident | 86.1 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 145 | 177.9 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | F60 A111 E112 F121 Y387 T389 L398 | F60-V119 HydrophobicContact CD1-CG2 3.97Å; F60-V119 HydrophobicContact CE1-CG1 4.08Å; F60-V119 HydrophobicContact CE1-CG2 3.61Å; F60-V119 HydrophobicContact CZ-CG1 4.39Å; F60-V119 HydrophobicContact CZ-CG2 4.32Å; A111-V119 CarbonylContact O-C 3.47Å; A111-V119 WeakPolarHBondContact O-CA 2.97Å; E112-V119 HydrophobicContact CB-CG2 4.3Å; E112-V119 HydrophobicContact CG-CG2 4.31Å; V119-F121 HydrophobicContact CB-CZ 4.31Å; V119-F121 HydrophobicContact CG1-CD1 4.21Å; V119-F121 HydrophobicContact CG1-CE1 3.51Å; V119-F121 HydrophobicContact CG1-CE2 4.1Å; V119-F121 HydrophobicContact CG1-CZ 3.44Å; V119-F121 VanDerWaalsContact CG1-CZ 3.44Å; V119-Y387 PolarHBondContact N-O 2.86Å; V119-Y387 PolarHBondContact O-N 3.33Å; V119-T389 HydrophobicContact CB-CG2 4.43Å; V119-T389 HydrophobicContact CG2-CG2 3.58Å; V119-L398 HydrophobicContact CB-CD2 4.07Å |
| 120 | M | 90.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145.7 | 173.1 | -57.9 | -179.4 | -61.9 | 0 | 0 | 108.9 | A111 I113 I123 Y378 L380 D384 I386 V742 | A111-M120 HydrophobicContact CB-CE 4.46Å; A111-M120 PolarHBondContact N-O 3.41Å; A111-M120 PolarHBondContact O-N 2.86Å; I113-M120 HydrophobicContact CD1-CE 4.17Å; I113-M120 HydrophobicContact CD1-CG 4.06Å; I113-M120 HydrophobicContact CD1-SD 3.83Å; I113-M120 HydrophobicContact CG1-CE 3.82Å; I113-M120 HydrophobicContact CG1-CG 4.19Å; I113-M120 HydrophobicContact CG1-SD 4.12Å; M120-I123 HydrophobicContact CB-CG2 3.68Å; M120-I123 HydrophobicContact CE-CD1 4.47Å; M120-I123 HydrophobicContact CE-CG2 4.2Å; M120-I123 HydrophobicContact SD-CG2 4.31Å; M120-Y378 HydrophobicContact CE-CD1 3.69Å; M120-Y378 HydrophobicContact CE-CE1 3.91Å; M120-Y378 HydrophobicContact CE-CG 4.5Å; M120-Y378 HydrophobicContact SD-CD1 4.5Å; M120-Y378 HydrophobicContact SD-CE1 4.26Å; M120-L380 HydrophobicContact CE-CD2 4.29Å; M120-L380 HydrophobicContact SD-CD2 3.69Å; M120-D384 HydrophobicContact SD-CB 4.47Å; M120-I386 HydrophobicContact CG-CG1 4.09Å; M120-I386 HydrophobicContact CG-CG2 4.46Å; M120-I386 HydrophobicContact SD-CG1 4.21Å; M120-V742 HydrophobicContact CE-CG1 3.9Å |
| 121 | F | 88.5 | Confident | 85.7 | Confident | 13 Ų | 13 | 29.9 Ų | 29.9 | 6% | 0.057 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 152.5 | 176.1 | -57.3 | -65.1 | 0 | 0 | 0 | 109.3 | H110 V119 I123 Y387 L398 L399 W402 | H110-F121 HydrophobicContact CB-CD1 3.91Å; H110-F121 HydrophobicContact CB-CE1 4.36Å; H110-F121 AromaticContact CD2-CD1 3.86Å; H110-F121 AromaticContact CG-CD1 3.64Å; H110-F121 AromaticContact ND1-CD1 3.95Å; V119-F121 HydrophobicContact CB-CZ 4.31Å; V119-F121 HydrophobicContact CG1-CD1 4.21Å; V119-F121 HydrophobicContact CG1-CE1 3.51Å; V119-F121 HydrophobicContact CG1-CE2 4.1Å; V119-F121 HydrophobicContact CG1-CZ 3.44Å; V119-F121 VanDerWaalsContact CG1-CZ 3.44Å; F121-I123 VanDerWaalsContact C-N 3.27Å; F121-I123 PolarHBondContact O-N 3.17Å; F121-Y387 AromaticContact CD2-CD2 3.6Å; F121-Y387 HydrophobicContact CD2-CD2 3.6Å; F121-Y387 AromaticContact CD2-CE2 3.6Å; F121-Y387 HydrophobicContact CD2-CE2 3.6Å; F121-Y387 AromaticContact CE2-CD2 3.78Å; F121-Y387 HydrophobicContact CE2-CD2 3.78Å; F121-Y387 HydrophobicContact CE2-CE2 4.19Å; F121-Y387 HydrophobicContact CE2-CG 4.33Å; F121-L398 HydrophobicContact CE2-CD1 4.12Å; F121-L398 HydrophobicContact CE2-CD2 3.9Å; F121-L398 HydrophobicContact CE2-CG 3.79Å; F121-L398 HydrophobicContact CZ-CD2 3.86Å; F121-L398 HydrophobicContact CZ-CG 3.81Å; F121-L399 HydrophobicContact CE1-CD2 3.59Å; F121-L399 HydrophobicContact CZ-CD2 4.08Å; F121-W402 AromaticContact CD2-CD1 3.79Å; F121-W402 HydrophobicContact CD2-CG 4.37Å; F121-W402 AromaticContact CG-CD1 3.87Å; F121-W402 HydrophobicContact CG-CG 4.37Å; F121-W402 AromaticContact CG-NE1 3.9Å |
| 122 | D | 87.3 | Confident | 85.3 | Confident | 66 Ų | 66 | 31 Ų | 31 | 35% | 0.353 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.4 | 31 | 177.7 | -46.2 | -47.4 | 0 | 0 | 0 | 115.3 | A109 H110 W402 | A109-D122 PolarHBondContact O-N 3.2Å; A109-D122 VanDerWaalsContact O-N 3.17Å; H110-D122 IonicContact CE1-OD1 3.53Å; H110-D122 PolarHBondContact CE1-OD1 2.9Å; D122-W402 WeakPolarHBondContact OD1-CZ2 3.37Å |
| 123 | I | 91.4 | Very high | 84.9 | Confident | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 142.1 | 177 | 61.5 | 158.5 | 0 | 0 | 0 | 111 | T108 A109 A111 M120 F121 L128 Y378 | T108-I123 CarbonylContact C-O 3.55Å; T108-I123 WeakPolarHBondContact CA-O 3.28Å; T108-I123 WeakPolarHBondContact CB-O 3.29Å; A109-I123 HydrophobicContact CB-CD1 4.41Å; A109-I123 HydrophobicContact CB-CG1 4Å; A109-I123 PolarHBondContact N-O 3.45Å; A109-I123 WeakPolarHBondContact O-CG1 3.19Å; A109-I123 PolarHBondContact O-N 3.12Å; A111-I123 HydrophobicContact CB-CD1 3.62Å; A111-I123 HydrophobicContact CB-CG1 4.29Å; M120-I123 HydrophobicContact CB-CG2 3.68Å; M120-I123 HydrophobicContact CE-CD1 4.47Å; M120-I123 HydrophobicContact CE-CG2 4.2Å; M120-I123 HydrophobicContact SD-CG2 4.31Å; F121-I123 VanDerWaalsContact C-N 3.27Å; F121-I123 PolarHBondContact O-N 3.17Å; I123-L128 HydrophobicContact CD1-CD2 4.4Å; I123-Y378 HydrophobicContact CB-CE2 4.05Å; I123-Y378 HydrophobicContact CD1-CD2 3.86Å; I123-Y378 HydrophobicContact CD1-CE2 3.82Å; I123-Y378 HydrophobicContact CD1-CG 4.26Å; I123-Y378 HydrophobicContact CG1-CE2 4.47Å; I123-Y378 HydrophobicContact CG2-CE1 4.3Å |
| 124 | Q | 89.7 | Confident | 84.6 | Confident | 98 Ų | 98 | 31.1 Ų | 31.1 | 46% | 0.458 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 124.3 | 177.7 | -59.8 | -62.2 | -63.6 | 0 | 0 | 110.9 | T108 D126 H127 | T108-Q124 VanDerWaalsContact CG2-NE2 3.25Å; Q124-D126 PolarHBondContact O-N 3.2Å; Q124-H127 PolarHBondContact O-N 2.79Å |
| 125 | C | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -69.1 | -19.2 | -178.6 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | M107 H127 L128 F367 | M107-C125 HydrophobicContact CB-CB 4.29Å; M107-C125 WeakPolarHBondContact O-CB 3.43Å; M107-C125 PolarHBondContact O-N 3.13Å; M107-C125 PolarHBondContact O-SG 2.82Å; M107-C125 VanDerWaalsContact O-SG 3.4Å; C125-H127 PolarHBondContact O-N 3.07Å; C125-L128 HydrophobicContact CB-CD1 3.9Å; C125-L128 WeakPolarHBondContact O-CB 3.44Å; C125-L128 PolarHBondContact O-N 3.22Å; C125-F367 HydrophobicContact CB-CB 3.98Å; C125-F367 HydrophobicContact CB-CD2 3.35Å; C125-F367 HydrophobicContact CB-CE2 3.97Å; C125-F367 HydrophobicContact CB-CG 3.75Å; C125-F367 WeakPolarHBondContact O-CD1 3.31Å; C125-F367 WeakPolarHBondContact O-CG 3.25Å |
| 126 | D | 84.4 | Confident | 83.6 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 31% | 0.31 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -49.6 | -9.8 | 166.8 | -96.2 | 19.3 | 0 | 0 | 0 | 114.9 | Q124 F367 R582 | Q124-D126 PolarHBondContact O-N 3.2Å; D126-F367 WeakPolarHBondContact OD1-CE1 3.5Å; D126-F367 WeakPolarHBondContact OD1-CZ 3.29Å; D126-R582 IonicContact OD1-NH1 4Å; D126-R582 PolarHBondContact OD1-NH1 2.94Å; D126-R582 IonicContact OD2-CZ 2.83Å; D126-R582 IonicContact OD2-NH1 3.18Å; D126-R582 PolarHBondContact OD2-NH1 2.86Å |
| 127 | H | 85.9 | Confident | 83 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -121.1 | 9.7 | -178.5 | -59.1 | -19.7 | 0 | 0 | 0 | 114.2 | Q124 C125 Y378 K379 Q381 | Q124-H127 PolarHBondContact O-N 2.79Å; C125-H127 PolarHBondContact O-N 3.07Å; H127-Y378 HydrophobicContact CB-CD2 4.15Å; H127-Y378 HydrophobicContact CB-CE2 3.72Å; H127-K379 PolarHBondContact O-N 3.41Å; H127-Q381 VanDerWaalsContact CD2-CD 3.44Å; H127-Q381 VanDerWaalsContact CD2-CG 3.48Å; H127-Q381 WeakPolarHBondContact CD2-CG 3.45Å; H127-Q381 PolarHBondContact CD2-NE2 3.49Å; H127-Q381 VanDerWaalsContact CD2-NE2 3.32Å |
| 128 | L | 88.6 | Confident | 82.3 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 10% | 0.099 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 153 | 170.8 | -62.8 | 170.3 | 0 | 0 | 0 | 110.8 | I123 C125 F367 W376 Y377 Y378 V742 I744 | I123-L128 HydrophobicContact CD1-CD2 4.4Å; C125-L128 HydrophobicContact CB-CD1 3.9Å; C125-L128 WeakPolarHBondContact O-CB 3.44Å; C125-L128 PolarHBondContact O-N 3.22Å; L128-F367 HydrophobicContact CB-CB 4.44Å; L128-F367 HydrophobicContact CD1-CB 4.46Å; L128-W376 HydrophobicContact CB-CB 4.37Å; L128-W376 HydrophobicContact CB-CD2 4.3Å; L128-W376 HydrophobicContact CB-CE3 3.74Å; L128-W376 HydrophobicContact CB-CZ3 4.46Å; L128-W376 HydrophobicContact CD2-CB 3.84Å; L128-Y377 CarbonylContact C-O 3.55Å; L128-Y377 WeakPolarHBondContact CA-O 3.43Å; L128-Y378 HydrophobicContact CD2-CD2 3.68Å; L128-Y378 HydrophobicContact CD2-CG 4.25Å; L128-Y378 HydrophobicContact CG-CD2 4.27Å; L128-V742 HydrophobicContact CD2-CG2 4.01Å; L128-I744 HydrophobicContact CD1-CD1 4.17Å; L128-I744 HydrophobicContact CD2-CD1 4.22Å |
| 129 | R | 86.3 | Confident | 81.3 | Confident | 52 Ų | 52 | 37.4 Ų | 37.4 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.3 | 171 | -177.7 | -178.4 | -172.9 | -112.9 | -12.4 | 109.1 | L262 G263 Y377 W739 | R129-L262 PolarHBondContact NH1-O 3.01Å; R129-G263 VanDerWaalsContact NH1-C 3.25Å; R129-G263 PolarHBondContact NH1-O 3.12Å; R129-Y377 PolarHBondContact N-O 3.03Å; R129-Y377 PolarHBondContact O-N 3.33Å; R129-W739 HydrophobicContact CB-CH2 4.34Å; R129-W739 HydrophobicContact CB-CZ3 3.94Å |
| 130 | S | 84.7 | Confident | 80.3 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 141.4 | -179.7 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | Y132 W376 | S130-Y132 VanDerWaalsContact C-N 3.29Å; S130-Y132 PolarHBondContact OG-N 3.26Å; S130-Y132 PolarHBondContact OG-O 2.87Å; S130-W376 VanDerWaalsContact N-CE3 3.35Å |
| 131 | V | 86.2 | Confident | 79.6 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -76 | -24.4 | 167.5 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | P133 N193 F326 I375 Y377 | V131-P133 VanDerWaalsContact O-CD 3.29Å; V131-P133 WeakPolarHBondContact O-CD 3.47Å; V131-N193 VanDerWaalsContact CG1-O 3.31Å; V131-N193 WeakPolarHBondContact CG1-O 3.27Å; V131-F326 HydrophobicContact CG1-CD1 4.27Å; V131-F326 HydrophobicContact CG1-CE1 4.11Å; V131-I375 HydrophobicContact CG2-CG2 4.15Å; V131-I375 WeakPolarHBondContact CG2-O 3.23Å; V131-Y377 HydrophobicContact CB-CD2 4.46Å; V131-Y377 HydrophobicContact CB-CE2 4.09Å; V131-Y377 HydrophobicContact CG1-CE2 4.12Å; V131-Y377 HydrophobicContact CG2-CD1 4.27Å; V131-Y377 HydrophobicContact CG2-CD2 3.8Å; V131-Y377 HydrophobicContact CG2-CE1 4.19Å; V131-Y377 HydrophobicContact CG2-CE2 3.71Å; V131-Y377 HydrophobicContact CG2-CG 4.1Å |
| 132 | Y | 81.9 | Confident | 79.4 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -120.2 | 56.7 | -177.8 | -52.8 | -64.8 | 0 | 0 | 0 | 111.6 | S130 T135 L157 N191 N193 F326 | S130-Y132 VanDerWaalsContact C-N 3.29Å; S130-Y132 PolarHBondContact OG-N 3.26Å; S130-Y132 PolarHBondContact OG-O 2.87Å; Y132-T135 WeakPolarHBondContact CB-OG1 3.48Å; Y132-T135 WeakPolarHBondContact O-CG2 3.25Å; Y132-T135 PolarHBondContact O-N 2.94Å; Y132-T135 PolarHBondContact O-OG1 3.38Å; Y132-L157 HydrophobicContact CD1-CD2 4.33Å; Y132-N191 HydrophobicContact CE2-CB 4.14Å; Y132-N191 PolarHBondContact OH-O 3.14Å; Y132-N193 VanDerWaalsContact OH-C 3.31Å; Y132-N193 WeakPolarHBondContact OH-CA 3.4Å; Y132-N193 WeakPolarHBondContact OH-CB 3.35Å; Y132-N193 PolarHBondContact OH-N 3.5Å; Y132-N193 PolarHBondContact OH-O 3.44Å; Y132-F326 HydrophobicContact CD1-CE1 4.04Å; Y132-F326 HydrophobicContact CD1-CZ 4.28Å; Y132-F326 AromaticContact CE1-CE1 3.56Å; Y132-F326 HydrophobicContact CE1-CE1 3.56Å; Y132-F326 AromaticContact CE1-CZ 3.78Å; Y132-F326 HydrophobicContact CE1-CZ 3.78Å |
| 133 | P | 79.4 | Confident | 79.3 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 145.5 | -179.1 | 29.8 | -36.3 | 0 | 0 | 0 | 110.9 | V131 T135 E140 P328 | V131-P133 VanDerWaalsContact O-CD 3.29Å; V131-P133 WeakPolarHBondContact O-CD 3.47Å; P133-T135 VanDerWaalsContact C-N 3.26Å; P133-T135 PolarHBondContact O-N 3.42Å; P133-E140 VanDerWaalsContact CA-OE2 3.25Å; P133-E140 WeakPolarHBondContact CA-OE2 3.49Å; P133-E140 WeakPolarHBondContact CB-OE2 3.33Å; P133-P328 HydrophobicContact CG-CG 4.17Å |
| 134 | W | 80.6 | Confident | 79 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 28.2 | -179.1 | -42.1 | -47.3 | 0 | 0 | 0 | 115.1 | V143 V152 C155 P328 A331 L356 L359 | W134-V143 HydrophobicContact CG-CG1 4.47Å; W134-V152 HydrophobicContact CB-CB 4.37Å; W134-V152 HydrophobicContact CB-CG1 4.07Å; W134-V152 HydrophobicContact CB-CG2 3.97Å; W134-V152 HydrophobicContact CG-CG2 4.3Å; W134-V152 WeakPolarHBondContact O-CG1 3.29Å; W134-C155 HydrophobicContact CB-CB 4.43Å; W134-C155 WeakPolarHBondContact O-CB 3.44Å; W134-P328 HydrophobicContact CE3-CB 4.24Å; W134-P328 HydrophobicContact CE3-CG 3.99Å; W134-P328 HydrophobicContact CZ3-CB 4.22Å; W134-P328 HydrophobicContact CZ3-CG 3.71Å; W134-A331 HydrophobicContact CE3-CB 4.42Å; W134-L356 HydrophobicContact CH2-CB 4.41Å; W134-L356 WeakPolarHBondContact CH2-O 3.48Å; W134-L356 HydrophobicContact CZ3-CB 4.42Å; W134-L356 HydrophobicContact CZ3-CD2 4.07Å; W134-L359 HydrophobicContact CH2-CB 4.02Å; W134-L359 HydrophobicContact CH2-CD1 4.2Å; W134-L359 HydrophobicContact CZ2-CB 3.6Å; W134-L359 HydrophobicContact CZ2-CD1 4.29Å; W134-L359 HydrophobicContact CZ3-CD1 4.34Å |
| 135 | T | 73.6 | Confident | 78.7 | Confident | 11 Ų | 11 | 32 Ų | 32 | 7% | 0.067 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -108.9 | 159.1 | 174.3 | 65.7 | 0 | 0 | 0 | 0 | 110.7 | Y132 P133 Y137 V138 N141 C155 L157 | Y132-T135 WeakPolarHBondContact CB-OG1 3.48Å; Y132-T135 WeakPolarHBondContact O-CG2 3.25Å; Y132-T135 PolarHBondContact O-N 2.94Å; Y132-T135 PolarHBondContact O-OG1 3.38Å; P133-T135 VanDerWaalsContact C-N 3.26Å; P133-T135 PolarHBondContact O-N 3.42Å; T135-Y137 PolarHBondContact O-N 3Å; T135-Y137 WeakPolarHBondContact OG1-CD2 3.48Å; T135-V138 PolarHBondContact O-N 3.47Å; T135-N141 PolarHBondContact O-OD1 3.22Å; T135-C155 HydrophobicContact CG2-CB 4.27Å; T135-L157 HydrophobicContact CG2-CD1 3.97Å |
| 136 | T | 62.9 | Low | 78.1 | Confident | 113 Ų | 113 | 37.2 Ų | 37.2 | 69% | 0.693 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -1 | 175.3 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 137 | Y | 63.1 | Low | 77.7 | Confident | 157 Ų | 157 | 34.8 Ų | 34.8 | 62% | 0.616 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -9.8 | 172.8 | -52 | -63.7 | 0 | 0 | 0 | 113.2 | T135 | T135-Y137 PolarHBondContact O-N 3Å; T135-Y137 WeakPolarHBondContact OG1-CD2 3.48Å |
| 138 | V | 63.3 | Low | 77.6 | Confident | 13 Ų | 13 | 34 Ų | 34 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -149.1 | 140.6 | -178.1 | -163.4 | 0 | 0 | 0 | 0 | 110.7 | T135 E140 W376 | T135-V138 PolarHBondContact O-N 3.47Å; V138-E140 HydrophobicContact CG1-CG 4Å; V138-E140 PolarHBondContact O-N 3.07Å; V138-W376 HydrophobicContact CG1-CH2 4.31Å |
| 139 | D | 62.2 | Low | 77.5 | Confident | 73 Ų | 73 | 33.1 Ų | 33.1 | 39% | 0.39 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -65.8 | 8.6 | -178.2 | -58.5 | 9.2 | 0 | 0 | 0 | 115.2 | N141 I363 N369 | D139-N141 PolarHBondContact O-N 3.02Å; D139-I363 HydrophobicContact CB-CD1 4.12Å; D139-I363 WeakPolarHBondContact O-CD1 2.91Å; D139-N369 PolarHBondContact OD1-ND2 3.31Å; D139-N369 VanDerWaalsContact OD1-ND2 3.13Å; D139-N369 PolarHBondContact OD2-ND2 3.26Å |
| 140 | E | 67.1 | Low | 77.5 | Confident | 17 Ų | 17 | 30.7 Ų | 30.7 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 4.9 | 172.1 | -67.8 | -173.8 | -176.7 | 0 | 0 | 113.9 | P133 V138 Y142 S361 S366 | P133-E140 VanDerWaalsContact CA-OE2 3.25Å; P133-E140 WeakPolarHBondContact CA-OE2 3.49Å; P133-E140 WeakPolarHBondContact CB-OE2 3.33Å; V138-E140 HydrophobicContact CG1-CG 4Å; V138-E140 PolarHBondContact O-N 3.07Å; E140-Y142 VanDerWaalsContact C-N 3.33Å; E140-Y142 PolarHBondContact O-N 3.35Å; E140-S361 WeakPolarHBondContact CA-OG 3.29Å; E140-S361 PolarHBondContact O-OG 3.45Å; E140-S366 VanDerWaalsContact CG-CB 3.45Å; E140-S366 VanDerWaalsContact OE1-CB 3.28Å; E140-S366 WeakPolarHBondContact OE1-CB 3.39Å; E140-S366 PolarHBondContact OE1-OG 2.88Å |
| 141 | N | 75.3 | Confident | 77.6 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -30.6 | -177.6 | -66 | -36 | 0 | 0 | 0 | 113.9 | T135 D139 V143 R151 V152 | T135-N141 PolarHBondContact O-OD1 3.22Å; D139-N141 PolarHBondContact O-N 3.02Å; N141-V143 PolarHBondContact O-N 3.04Å; N141-R151 HydrophobicContact CB-CG 4.34Å; N141-R151 CarbonylContact O-C 3.53Å; N141-R151 WeakPolarHBondContact O-CA 3.41Å; N141-V152 WeakPolarHBondContact O-CG2 3.39Å; N141-V152 PolarHBondContact O-N 2.75Å |
| 142 | Y | 83.3 | Confident | 77.6 | Confident | 12 Ų | 12 | 33 Ų | 33 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 123.9 | 172.4 | -70.5 | -75.5 | 0 | 0 | 0 | 110.8 | E140 R151 F336 S361 V362 I895 I945 D946 | E140-Y142 VanDerWaalsContact C-N 3.33Å; E140-Y142 PolarHBondContact O-N 3.35Å; Y142-R151 HydrophobicContact CD1-CB 4.12Å; Y142-R151 HydrophobicContact CE1-CB 4.02Å; Y142-R151 HydrophobicContact CE1-CG 4.26Å; Y142-F336 HydrophobicContact CD1-CE1 4.31Å; Y142-F336 HydrophobicContact CD1-CZ 4.11Å; Y142-F336 HydrophobicContact CE1-CE1 4.18Å; Y142-F336 HydrophobicContact CE1-CZ 4Å; Y142-S361 CarbonylContact O-C 3.58Å; Y142-S361 WeakPolarHBondContact O-CA 3.13Å; Y142-S361 PolarHBondContact O-OG 2.82Å; Y142-V362 PolarHBondContact O-N 2.7Å; Y142-I895 HydrophobicContact CD1-CD1 4.42Å; Y142-I895 HydrophobicContact CD2-CD1 3.46Å; Y142-I895 VanDerWaalsContact CD2-CD1 3.46Å; Y142-I895 HydrophobicContact CE2-CD1 4.1Å; Y142-I895 HydrophobicContact CG-CD1 3.65Å; Y142-I945 HydrophobicContact CE1-CG2 3.79Å; Y142-I945 WeakPolarHBondContact OH-CG2 3.01Å; Y142-D946 PolarHBondContact OH-O 3.49Å |
| 143 | V | 86.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 149.5 | -174.1 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | W134 N141 G150 V152 V333 W335 L359 K360 | W134-V143 HydrophobicContact CG-CG1 4.47Å; N141-V143 PolarHBondContact O-N 3.04Å; V143-G150 PolarHBondContact N-O 3.46Å; V143-G150 PolarHBondContact O-N 3.43Å; V143-G150 VanDerWaalsContact O-O 3.1Å; V143-V152 HydrophobicContact CB-CG2 4.39Å; V143-V152 HydrophobicContact CG1-CG2 3.68Å; V143-V152 HydrophobicContact CG2-CG2 3.74Å; V143-V333 HydrophobicContact CG2-CG1 3.72Å; V143-V333 HydrophobicContact CG2-CG2 3.9Å; V143-W335 HydrophobicContact CG2-CH2 4.43Å; V143-L359 HydrophobicContact CB-CD2 4.2Å; V143-L359 HydrophobicContact CG2-CD2 3.99Å; V143-K360 CarbonylContact C-O 3.6Å; V143-K360 WeakPolarHBondContact CA-O 3.21Å |
| 144 | I | 84.4 | Confident | 77.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.7 | 175.3 | -87.6 | 166.7 | 0 | 0 | 0 | 111.1 | N146 W148 L149 K360 V362 Y909 P910 A911 I929 | I144-N146 WeakPolarHBondContact CG2-O 3.13Å; I144-W148 VanDerWaalsContact CA-O 3.22Å; I144-W148 WeakPolarHBondContact CA-O 3.2Å; I144-W148 WeakPolarHBondContact CG1-O 3.4Å; I144-L149 HydrophobicContact CD1-CB 4.05Å; I144-L149 HydrophobicContact CD1-CD1 3.84Å; I144-L149 HydrophobicContact CD1-CG 4.45Å; I144-L149 HydrophobicContact CG1-CB 3.76Å; I144-L149 HydrophobicContact CG1-CD1 3.7Å; I144-L149 HydrophobicContact CG1-CG 4.33Å; I144-K360 PolarHBondContact N-O 2.95Å; I144-K360 PolarHBondContact O-N 2.91Å; I144-V362 HydrophobicContact CD1-CG2 4.13Å; I144-V362 HydrophobicContact CG1-CG2 4.29Å; I144-Y909 HydrophobicContact CG2-CD1 3.69Å; I144-Y909 HydrophobicContact CG2-CE1 4.03Å; I144-P910 HydrophobicContact CD1-CG 3.86Å; I144-P910 HydrophobicContact CG1-CG 4.46Å; I144-A911 HydrophobicContact CD1-CB 4.4Å; I144-I929 HydrophobicContact CB-CD1 3.89Å; I144-I929 HydrophobicContact CD1-CD1 3.25Å; I144-I929 HydrophobicContact CG1-CD1 4.03Å; I144-I929 HydrophobicContact CG2-CD1 4.21Å |
| 145 | W | 82.9 | Confident | 78 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 120.9 | 169.3 | -177.5 | -3.5 | 0 | 0 | 0 | 107.9 | S147 W148 W335 P347 I351 D355 N358 L359 | W145-S147 PolarHBondContact O-N 2.93Å; W145-W148 PolarHBondContact N-O 2.81Å; W145-W148 WeakPolarHBondContact O-CB 3.32Å; W145-W148 PolarHBondContact O-N 3.43Å; W145-W335 HydrophobicContact CB-CH2 3.56Å; W145-W335 HydrophobicContact CB-CZ2 4.14Å; W145-W335 HydrophobicContact CB-CZ3 4.31Å; W145-W335 HydrophobicContact CE3-CZ2 4.04Å; W145-P347 HydrophobicContact CB-CG 4.29Å; W145-P347 HydrophobicContact CD2-CB 3.95Å; W145-P347 HydrophobicContact CD2-CG 4.18Å; W145-P347 HydrophobicContact CE3-CB 3.48Å; W145-P347 VanDerWaalsContact CE3-CB 3.48Å; W145-P347 HydrophobicContact CE3-CG 4.12Å; W145-P347 HydrophobicContact CG-CG 4.29Å; W145-P347 HydrophobicContact CH2-CB 4.48Å; W145-P347 HydrophobicContact CZ3-CB 3.78Å; W145-I351 HydrophobicContact CE3-CD1 3.9Å; W145-I351 HydrophobicContact CE3-CG1 4.47Å; W145-I351 HydrophobicContact CE3-CG2 4.38Å; W145-I351 HydrophobicContact CH2-CG2 4.28Å; W145-I351 HydrophobicContact CZ3-CB 4.42Å; W145-I351 HydrophobicContact CZ3-CD1 3.87Å; W145-I351 HydrophobicContact CZ3-CG1 3.94Å; W145-I351 HydrophobicContact CZ3-CG2 3.65Å; W145-D355 HydrophobicContact CH2-CB 3.67Å; W145-D355 HydrophobicContact CZ2-CB 4.18Å; W145-D355 HydrophobicContact CZ3-CB 4.4Å; W145-N358 HydrophobicContact CD2-CB 3.97Å; W145-N358 HydrophobicContact CG-CB 4.02Å; W145-N358 HydrophobicContact CZ2-CB 4.18Å; W145-N358 VanDerWaalsContact CZ2-ND2 3.34Å; W145-N358 WeakPolarHBondContact CZ2-ND2 3.43Å; W145-L359 HydrophobicContact CB-CD2 4.46Å |
| 146 | N | 78.6 | Confident | 78.4 | Confident | 108 Ų | 108 | 39.5 Ų | 39.5 | 58% | 0.578 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | -124.7 | -170.1 | -57.9 | -13.3 | 0 | 0 | 0 | 110.1 | I144 Y909 | I144-N146 WeakPolarHBondContact CG2-O 3.13Å; N146-Y909 WeakPolarHBondContact O-CD1 3.18Å; N146-Y909 WeakPolarHBondContact O-CE1 3.45Å |
| 147 | S | 76 | Confident | 79.4 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 0.8 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 113.9 | W145 N338 R339 N340 P910 | W145-S147 PolarHBondContact O-N 2.93Å; S147-N338 WeakPolarHBondContact CB-OD1 3.28Å; S147-N338 VanDerWaalsContact O-CA 3.29Å; S147-N338 WeakPolarHBondContact O-CA 3.43Å; S147-N338 PolarHBondContact O-OD1 3Å; S147-N338 VanDerWaalsContact O-OD1 3.12Å; S147-R339 PolarHBondContact O-N 3.18Å; S147-N340 PolarHBondContact OG-ND2 2.83Å; S147-N340 VanDerWaalsContact OG-ND2 3.14Å; S147-P910 WeakPolarHBondContact O-CD 3.4Å; S147-P910 VanDerWaalsContact O-CG 3.3Å; S147-P910 WeakPolarHBondContact O-CG 3.4Å |
| 148 | W | 83.8 | Confident | 80.6 | Confident | 41 Ų | 41 | 27.7 Ų | 27.7 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 137.1 | -177.8 | -79.4 | 90.3 | 0 | 0 | 0 | 112.6 | I144 W145 W335 A337 N338 D344 K345 P346 P347 | I144-W148 VanDerWaalsContact CA-O 3.22Å; I144-W148 WeakPolarHBondContact CA-O 3.2Å; I144-W148 WeakPolarHBondContact CG1-O 3.4Å; W145-W148 PolarHBondContact N-O 2.81Å; W145-W148 WeakPolarHBondContact O-CB 3.32Å; W145-W148 PolarHBondContact O-N 3.43Å; W148-W335 HydrophobicContact CB-CD2 4.49Å; W148-W335 HydrophobicContact CB-CE3 3.84Å; W148-W335 HydrophobicContact CB-CZ3 4.11Å; W148-W335 HydrophobicContact CE3-CB 4.04Å; W148-W335 HydrophobicContact CZ3-CB 4.43Å; W148-W335 WeakPolarHBondContact O-CZ3 3.28Å; W148-A337 WeakPolarHBondContact CA-O 3.42Å; W148-N338 HydrophobicContact CD2-CB 3.66Å; W148-N338 HydrophobicContact CE3-CB 3.82Å; W148-N338 HydrophobicContact CG-CB 4.15Å; W148-N338 HydrophobicContact CH2-CB 4.14Å; W148-N338 HydrophobicContact CZ2-CB 3.99Å; W148-N338 WeakPolarHBondContact CZ2-ND2 3.34Å; W148-N338 HydrophobicContact CZ3-CB 4.06Å; W148-N338 PolarHBondContact NE1-ND2 3.46Å; W148-N338 VanDerWaalsContact NE1-ND2 3.19Å; W148-D344 WeakPolarHBondContact CZ2-O 3.44Å; W148-K345 PolarHBondContact NE1-O 3.26Å; W148-P346 HydrophobicContact CD2-CB 4.23Å; W148-P346 VanDerWaalsContact CE2-CA 3.45Å; W148-P346 HydrophobicContact CE3-CB 4.12Å; W148-P346 HydrophobicContact CH2-CB 3.81Å; W148-P346 HydrophobicContact CH2-CG 4.27Å; W148-P346 HydrophobicContact CZ2-CB 3.9Å; W148-P346 HydrophobicContact CZ2-CG 4.39Å; W148-P346 HydrophobicContact CZ3-CB 3.92Å; W148-P347 HydrophobicContact CB-CG 4.08Å; W148-P347 HydrophobicContact CG-CG 4.2Å |
| 149 | L | 85.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.1 | 175 | 171 | 66.5 | 0 | 0 | 0 | 110.8 | I144 W335 F336 A337 V362 V897 P910 A911 I945 | I144-L149 HydrophobicContact CD1-CB 4.05Å; I144-L149 HydrophobicContact CD1-CD1 3.84Å; I144-L149 HydrophobicContact CD1-CG 4.45Å; I144-L149 HydrophobicContact CG1-CB 3.76Å; I144-L149 HydrophobicContact CG1-CD1 3.7Å; I144-L149 HydrophobicContact CG1-CG 4.33Å; L149-W335 VanDerWaalsContact C-CE3 3.46Å; L149-F336 HydrophobicContact CD1-CZ 4.3Å; L149-F336 HydrophobicContact CD2-CE2 3.56Å; L149-F336 HydrophobicContact CD2-CZ 3.82Å; L149-F336 HydrophobicContact CG-CE1 4.4Å; L149-F336 HydrophobicContact CG-CE2 3.76Å; L149-F336 HydrophobicContact CG-CZ 3.66Å; L149-F336 PolarHBondContact O-N 3.38Å; L149-A337 HydrophobicContact CB-CB 4.27Å; L149-A337 HydrophobicContact CD2-CB 4.3Å; L149-A337 PolarHBondContact N-O 3.32Å; L149-A337 PolarHBondContact O-N 3.49Å; L149-V362 HydrophobicContact CD1-CG2 3.67Å; L149-V897 HydrophobicContact CD2-CG2 4.06Å; L149-P910 HydrophobicContact CB-CG 3.9Å; L149-A911 HydrophobicContact CD2-CB 3.73Å; L149-I945 HydrophobicContact CD2-CD1 3.82Å |
| 150 | G | 86.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 173.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | V143 H334 | V143-G150 PolarHBondContact N-O 3.46Å; V143-G150 PolarHBondContact O-N 3.43Å; V143-G150 VanDerWaalsContact O-O 3.1Å; G150-H334 CarbonylContact C-O 3.45Å; G150-H334 WeakPolarHBondContact CA-O 3.3Å |
| 151 | R | 86.9 | Confident | 84.3 | Confident | 49 Ų | 49 | 22.8 Ų | 22.8 | 19% | 0.185 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.7 | 174.2 | 178.6 | 164.1 | 157.9 | -155.8 | -13 | 109.7 | N141 Y142 S153 H334 F336 D949 D950 | N141-R151 HydrophobicContact CB-CG 4.34Å; N141-R151 CarbonylContact O-C 3.53Å; N141-R151 WeakPolarHBondContact O-CA 3.41Å; Y142-R151 HydrophobicContact CD1-CB 4.12Å; Y142-R151 HydrophobicContact CE1-CB 4.02Å; Y142-R151 HydrophobicContact CE1-CG 4.26Å; R151-S153 PolarHBondContact O-N 3.49Å; R151-H334 PolarHBondContact N-O 2.67Å; R151-H334 PolarHBondContact O-N 3.24Å; R151-F336 HydrophobicContact CB-CE1 4.08Å; R151-D949 IonicContact NH1-OD2 3.51Å; R151-D949 PolarHBondContact NH2-O 2.89Å; R151-D950 IonicContact CZ-OD2 3.81Å; R151-D950 IonicContact NE-OD2 3.01Å; R151-D950 PolarHBondContact NE-OD2 2.95Å; R151-D950 IonicContact NH2-OD1 3.52Å; R151-D950 PolarHBondContact NH2-OD1 3.39Å; R151-D950 IonicContact NH2-OD2 3.71Å; R151-D950 PolarHBondContact NH2-OD2 3.47Å |
| 152 | V | 86.6 | Confident | 85.2 | Confident | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.042 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 125.1 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | W134 N141 V143 T332 V333 | W134-V152 HydrophobicContact CB-CB 4.37Å; W134-V152 HydrophobicContact CB-CG1 4.07Å; W134-V152 HydrophobicContact CB-CG2 3.97Å; W134-V152 HydrophobicContact CG-CG2 4.3Å; W134-V152 WeakPolarHBondContact O-CG1 3.29Å; N141-V152 WeakPolarHBondContact O-CG2 3.39Å; N141-V152 PolarHBondContact O-N 2.75Å; V143-V152 HydrophobicContact CB-CG2 4.39Å; V143-V152 HydrophobicContact CG1-CG2 3.68Å; V143-V152 HydrophobicContact CG2-CG2 3.74Å; V152-T332 CarbonylContact C-O 3.49Å; V152-T332 WeakPolarHBondContact CA-O 3.31Å; V152-V333 HydrophobicContact CG2-CG2 3.97Å |
| 153 | S | 84.7 | Confident | 85.5 | Confident | 71 Ų | 71 | 22.9 Ų | 22.9 | 50% | 0.497 | 12% | 0.123 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 26 | 179 | 82.9 | 0 | 0 | 0 | 0 | 111.9 | R151 T332 | R151-S153 PolarHBondContact O-N 3.49Å; S153-T332 PolarHBondContact N-O 3.37Å; S153-T332 WeakPolarHBondContact OG-CG2 3.29Å |
| 154 | G | 80.5 | Confident | 85.5 | Confident | 33 Ų | 33 | 24.9 Ų | 24.9 | 34% | 0.34 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 140.7 | 136.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T332 | G154-T332 PolarHBondContact O-N 3.41Å |
| 155 | C | 84.6 | Confident | 85.5 | Confident | 26 Ų | 26 | 28 Ų | 28 | 18% | 0.176 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149.1 | 178.7 | -179 | 0 | 0 | 0 | 0 | 109.6 | W134 T135 P328 E330 | W134-C155 HydrophobicContact CB-CB 4.43Å; W134-C155 WeakPolarHBondContact O-CB 3.44Å; T135-C155 HydrophobicContact CG2-CB 4.27Å; C155-P328 WeakPolarHBondContact SG-CB 3.42Å; C155-E330 CarbonylContact C-O 3.54Å; C155-E330 WeakPolarHBondContact CA-O 3.33Å |
| 156 | R | 81.3 | Confident | 85.6 | Confident | 59 Ų | 59 | 28.1 Ų | 28.1 | 22% | 0.223 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 126.5 | 174.2 | -65.3 | -177.8 | 167.2 | 132.2 | 12.6 | 109.8 | P328 V329 E330 | R156-P328 CarbonylContact O-C 3.6Å; R156-P328 WeakPolarHBondContact O-CA 3.34Å; R156-V329 HydrophobicContact CB-CG2 4.4Å; R156-V329 PolarHBondContact O-N 3.11Å; R156-E330 HydrophobicContact CB-CB 4.18Å; R156-E330 HydrophobicContact CG-CB 4.43Å; R156-E330 IonicContact CZ-OE1 3.08Å; R156-E330 IonicContact CZ-OE2 2.7Å; R156-E330 PolarHBondContact N-O 3.19Å; R156-E330 IonicContact NE-OE2 3.18Å; R156-E330 IonicContact NH1-OE1 2.83Å; R156-E330 PolarHBondContact NH1-OE1 3.08Å; R156-E330 IonicContact NH1-OE2 3.13Å; R156-E330 PolarHBondContact NH1-OE2 3.16Å |
| 157 | L | 85.3 | Confident | 86.1 | Confident | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.047 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 153 | 172.8 | -53.8 | 101.8 | 0 | 0 | 0 | 111 | Y132 T135 D173 F326 A327 P328 | Y132-L157 HydrophobicContact CD1-CD2 4.33Å; T135-L157 HydrophobicContact CG2-CD1 3.97Å; L157-D173 WeakPolarHBondContact CA-OD2 3.46Å; L157-D173 HydrophobicContact CB-CB 4.07Å; L157-D173 WeakPolarHBondContact CB-OD2 3.25Å; L157-D173 WeakPolarHBondContact CD1-OD2 3.38Å; L157-D173 PolarHBondContact N-OD2 2.96Å; L157-D173 VanDerWaalsContact O-CG 3.22Å; L157-D173 PolarHBondContact O-N 2.83Å; L157-D173 VanDerWaalsContact O-N 3.12Å; L157-F326 HydrophobicContact CB-CE1 4.47Å; L157-F326 HydrophobicContact CB-CE2 3.66Å; L157-F326 HydrophobicContact CB-CZ 3.63Å; L157-F326 HydrophobicContact CD2-CE1 3.74Å; L157-F326 HydrophobicContact CD2-CE2 4.44Å; L157-F326 HydrophobicContact CD2-CZ 3.69Å; L157-F326 HydrophobicContact CG-CZ 4.14Å; L157-A327 WeakPolarHBondContact CA-O 3.25Å; L157-P328 HydrophobicContact CD2-CB 4.39Å; L157-P328 HydrophobicContact CG-CB 4.27Å |
| 158 | M | 86.9 | Confident | 86.9 | Confident | 12 Ų | 12 | 25.7 Ų | 25.7 | 6% | 0.059 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.7 | 174.4 | -71.8 | -170 | 83.8 | 0 | 0 | 110.7 | L170 V171 F268 L292 F326 A327 V329 | M158-L170 HydrophobicContact CB-CD1 4.47Å; M158-L170 HydrophobicContact CE-CD1 3.63Å; M158-L170 HydrophobicContact CE-CD2 4.12Å; M158-L170 HydrophobicContact CE-CG 3.61Å; M158-L170 HydrophobicContact SD-CD1 4.43Å; M158-V171 WeakPolarHBondContact CA-O 3.45Å; M158-V171 WeakPolarHBondContact CB-O 3.36Å; M158-F268 HydrophobicContact CB-CE1 4.18Å; M158-F268 HydrophobicContact CB-CE2 4.32Å; M158-F268 HydrophobicContact CB-CZ 3.58Å; M158-F268 WeakPolarHBondContact O-CE2 3.26Å; M158-L292 HydrophobicContact CE-CD1 3.94Å; M158-L292 HydrophobicContact CE-CD2 3.74Å; M158-L292 HydrophobicContact CE-CG 4.48Å; M158-L292 HydrophobicContact SD-CD1 4.29Å; M158-F326 WeakPolarHBondContact O-CA 3.4Å; M158-F326 WeakPolarHBondContact O-CD2 3.42Å; M158-A327 PolarHBondContact N-O 3.4Å; M158-A327 PolarHBondContact O-N 2.98Å; M158-V329 HydrophobicContact CB-CG1 3.91Å; M158-V329 HydrophobicContact CB-CG2 4.29Å; M158-V329 HydrophobicContact CG-CB 4.48Å; M158-V329 HydrophobicContact CG-CG1 4.09Å; M158-V329 HydrophobicContact CG-CG2 3.59Å; M158-V329 HydrophobicContact SD-CG1 4.28Å; M158-V329 HydrophobicContact SD-CG2 3.8Å |
| 159 | A | 89 | Confident | 87.1 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 142 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V161 V171 L176 V323 H325 F326 | A159-V161 HydrophobicContact CB-CG1 4Å; A159-V171 HydrophobicContact CB-CG2 3.86Å; A159-V171 PolarHBondContact N-O 2.81Å; A159-V171 PolarHBondContact O-N 2.87Å; A159-L176 HydrophobicContact CB-CD1 3.8Å; A159-V323 HydrophobicContact CB-CG1 4.29Å; A159-H325 CarbonylContact C-O 3.48Å; A159-H325 VanDerWaalsContact CA-O 3.22Å; A159-H325 WeakPolarHBondContact CA-O 3.19Å; A159-F326 HydrophobicContact CB-CD2 4.04Å |
| 160 | I | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 111.3 | 156.4 | -57.2 | 177.3 | 0 | 0 | 0 | 106.6 | L170 F268 A271 L272 L299 E324 H325 | I160-L170 HydrophobicContact CG1-CD1 4.44Å; I160-F268 HydrophobicContact CG1-CE2 3.98Å; I160-F268 HydrophobicContact CG1-CZ 4.22Å; I160-A271 HydrophobicContact CD1-CB 4.04Å; I160-L272 HydrophobicContact CD1-CD2 3.6Å; I160-L272 HydrophobicContact CD1-CG 3.89Å; I160-L272 HydrophobicContact CG1-CD2 4.02Å; I160-L299 HydrophobicContact CD1-CD1 4.25Å; I160-L299 HydrophobicContact CG1-CD1 4.17Å; I160-L299 HydrophobicContact CG2-CD1 3.96Å; I160-E324 PolarHBondContact O-N 2.74Å; I160-H325 HydrophobicContact CB-CB 4.17Å; I160-H325 HydrophobicContact CD1-CB 4.09Å; I160-H325 HydrophobicContact CG1-CB 4.21Å; I160-H325 PolarHBondContact N-O 3.42Å; I160-H325 PolarHBondContact O-N 2.93Å |
| 161 | V | 91.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.8 | 177 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | A159 R168 L169 V171 L176 F321 C322 V323 | A159-V161 HydrophobicContact CB-CG1 4Å; V161-R168 CarbonylContact O-C 3.5Å; V161-R168 WeakPolarHBondContact O-CA 3.3Å; V161-L169 HydrophobicContact CG2-CB 3.84Å; V161-L169 HydrophobicContact CG2-CD2 4.33Å; V161-L169 HydrophobicContact CG2-CG 4.43Å; V161-L169 PolarHBondContact N-O 2.84Å; V161-L169 PolarHBondContact O-N 3.12Å; V161-V171 HydrophobicContact CG1-CG2 4Å; V161-V171 HydrophobicContact CG2-CG1 4.4Å; V161-V171 HydrophobicContact CG2-CG2 4.47Å; V161-L176 HydrophobicContact CG1-CD2 4.24Å; V161-F321 HydrophobicContact CB-CB 4.43Å; V161-F321 HydrophobicContact CB-CD2 3.53Å; V161-F321 HydrophobicContact CB-CE2 3.92Å; V161-F321 HydrophobicContact CB-CG 4.07Å; V161-F321 HydrophobicContact CG1-CD2 3.69Å; V161-F321 HydrophobicContact CG1-CE2 3.61Å; V161-F321 HydrophobicContact CG2-CD2 4.17Å; V161-F321 HydrophobicContact CG2-CE2 4.38Å; V161-F321 HydrophobicContact CG2-CG 4.38Å; V161-C322 CarbonylContact C-O 3.57Å; V161-C322 WeakPolarHBondContact CA-O 3.3Å; V161-V323 HydrophobicContact CG1-CG2 4.31Å |
| 162 | R | 93 | Very high | 86.8 | Confident | 26 Ų | 26 | 23.1 Ų | 23.1 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.8 | -176.2 | -176.9 | -178.3 | 53.2 | 72.3 | 19 | 110.9 | A167 R168 F321 C322 E324 | R162-A167 CarbonylContact C-O 3.6Å; R162-A167 WeakPolarHBondContact CA-O 3.42Å; R162-R168 HydrophobicContact CB-CG 4.16Å; R162-R168 HydrophobicContact CG-CG 4.03Å; R162-F321 WeakPolarHBondContact O-CA 3.46Å; R162-F321 WeakPolarHBondContact O-CB 3.3Å; R162-C322 PolarHBondContact N-O 2.93Å; R162-C322 PolarHBondContact NH2-SG 3.02Å; R162-C322 VanDerWaalsContact NH2-SG 3.41Å; R162-C322 PolarHBondContact O-N 3.35Å; R162-E324 HydrophobicContact CB-CB 4.35Å; R162-E324 WeakPolarHBondContact CD-OE2 3.39Å; R162-E324 IonicContact NE-OE1 2.76Å; R162-E324 PolarHBondContact NE-OE1 2.9Å; R162-E324 IonicContact NE-OE2 3.59Å |
| 163 | F | 90.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 159.9 | 177.6 | -66.2 | -95.5 | 0 | 0 | 0 | 111.8 | D165 G166 A167 L169 L206 F298 H305 W309 V319 F321 | F163-D165 VanDerWaalsContact CB-OD1 3.28Å; F163-D165 WeakPolarHBondContact CB-OD1 3.31Å; F163-D165 PolarHBondContact O-N 3.07Å; F163-D165 VanDerWaalsContact O-N 3.1Å; F163-G166 PolarHBondContact O-N 3.31Å; F163-A167 HydrophobicContact CB-CB 4.2Å; F163-A167 HydrophobicContact CD2-CB 3.91Å; F163-A167 HydrophobicContact CG-CB 4.37Å; F163-A167 PolarHBondContact N-O 2.88Å; F163-L169 HydrophobicContact CE2-CB 4Å; F163-L169 HydrophobicContact CE2-CD2 4.4Å; F163-L169 HydrophobicContact CZ-CD2 4.5Å; F163-L206 HydrophobicContact CE1-CD1 4.26Å; F163-L206 HydrophobicContact CZ-CD1 3.74Å; F163-F298 HydrophobicContact CE2-CE1 4.25Å; F163-H305 HydrophobicContact CD1-CB 4.47Å; F163-H305 AromaticContact CD1-CD2 3.94Å; F163-H305 AromaticContact CD1-CE1 3.95Å; F163-H305 AromaticContact CD1-CG 3.86Å; F163-H305 AromaticContact CD1-ND1 3.86Å; F163-H305 HydrophobicContact CD2-CB 4.36Å; F163-H305 HydrophobicContact CG-CB 4.27Å; F163-H305 AromaticContact CG-CG 3.98Å; F163-H305 AromaticContact CG-ND1 3.87Å; F163-W309 HydrophobicContact CE1-CH2 4.27Å; F163-W309 HydrophobicContact CE1-CZ3 4.47Å; F163-W309 HydrophobicContact CZ-CZ3 4.35Å; F163-V319 HydrophobicContact CE1-CB 4.1Å; F163-V319 HydrophobicContact CE1-CG1 4.21Å; F163-V319 HydrophobicContact CE1-CG2 4.32Å; F163-F321 HydrophobicContact CD1-CB 4.3Å; F163-F321 HydrophobicContact CE1-CD1 4.15Å; F163-F321 HydrophobicContact CG-CB 4.39Å; F163-F321 HydrophobicContact CZ-CD1 4.44Å |
| 164 | L | 84.9 | Confident | 86.1 | Confident | 43 Ų | 43 | 25.5 Ų | 25.5 | 23% | 0.225 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.9 | 179.7 | -74 | 166.3 | 0 | 0 | 0 | 114.7 | W198 V320 L719 I726 | L164-W198 HydrophobicContact CD2-CH2 3.72Å; L164-W198 HydrophobicContact CD2-CZ3 3.53Å; L164-W198 HydrophobicContact CG-CZ3 4.05Å; L164-V320 HydrophobicContact CD1-CB 4.01Å; L164-V320 HydrophobicContact CD1-CG1 4.14Å; L164-V320 HydrophobicContact CG-CG1 4.45Å; L164-L719 HydrophobicContact CD1-CD2 3.7Å; L164-I726 HydrophobicContact CD2-CD1 3.64Å |
| 165 | D | 84.4 | Confident | 86 | Confident | 65 Ų | 65 | 24.5 Ų | 24.5 | 35% | 0.348 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 3.8 | 178.4 | 68.9 | -25.8 | 0 | 0 | 0 | 114.1 | F163 A167 T302 H305 | F163-D165 VanDerWaalsContact CB-OD1 3.28Å; F163-D165 WeakPolarHBondContact CB-OD1 3.31Å; F163-D165 PolarHBondContact O-N 3.07Å; F163-D165 VanDerWaalsContact O-N 3.1Å; D165-A167 PolarHBondContact OD1-N 3.11Å; D165-T302 WeakPolarHBondContact O-CG2 3.37Å; D165-T302 VanDerWaalsContact OD2-CB 3.28Å; D165-T302 WeakPolarHBondContact OD2-CB 3.33Å; D165-T302 PolarHBondContact OD2-OG1 3.13Å; D165-H305 IonicContact OD1-CE1 3.11Å; D165-H305 IonicContact OD1-CG 3.87Å; D165-H305 IonicContact OD1-ND1 2.64Å; D165-H305 PolarHBondContact OD1-ND1 2.83Å; D165-H305 IonicContact OD2-CE1 3.41Å; D165-H305 IonicContact OD2-CG 2.81Å; D165-H305 IonicContact OD2-ND1 3.14Å; D165-H305 PolarHBondContact OD2-ND1 3.25Å; D165-H305 VanDerWaalsContact OD2-ND1 3.08Å |
| 166 | G | 86.1 | Confident | 85.9 | Confident | 33 Ų | 33 | 23.2 Ų | 23.2 | 34% | 0.34 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 91.7 | 1.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | F163 | F163-G166 PolarHBondContact O-N 3.31Š|
| 167 | A | 89.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -63.3 | 144.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R162 F163 D165 F298 V300 T302 H305 | R162-A167 CarbonylContact C-O 3.6Å; R162-A167 WeakPolarHBondContact CA-O 3.42Å; F163-A167 HydrophobicContact CB-CB 4.2Å; F163-A167 HydrophobicContact CD2-CB 3.91Å; F163-A167 HydrophobicContact CG-CB 4.37Å; F163-A167 PolarHBondContact N-O 2.88Å; D165-A167 PolarHBondContact OD1-N 3.11Å; A167-F298 HydrophobicContact CB-CE1 4.42Å; A167-V300 WeakPolarHBondContact CA-O 3.4Å; A167-T302 HydrophobicContact CB-CG2 3.71Å; A167-T302 VanDerWaalsContact N-CG2 3.34Å; A167-H305 HydrophobicContact CB-CB 3.66Å | ||
| 168 | R | 91.2 | Very high | 85.2 | Confident | 65 Ų | 65 | 29.2 Ų | 29.2 | 25% | 0.245 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.2 | 178.1 | -72.8 | 178 | 166.9 | 148.3 | -5.6 | 110.1 | V161 R162 Y275 F298 L299 V300 E324 | V161-R168 CarbonylContact O-C 3.5Å; V161-R168 WeakPolarHBondContact O-CA 3.3Å; R162-R168 HydrophobicContact CB-CG 4.16Å; R162-R168 HydrophobicContact CG-CG 4.03Å; R168-Y275 WeakPolarHBondContact CD-OH 3.44Å; R168-Y275 VanDerWaalsContact CZ-OH 3.23Å; R168-Y275 PolarHBondContact NE-OH 2.83Å; R168-Y275 PolarHBondContact NH1-OH 2.91Å; R168-F298 CarbonylContact O-C 3.53Å; R168-F298 WeakPolarHBondContact O-CA 3.38Å; R168-L299 HydrophobicContact CB-CB 4.12Å; R168-L299 PolarHBondContact O-N 3.47Å; R168-V300 HydrophobicContact CB-CB 4Å; R168-V300 HydrophobicContact CB-CG2 4.12Å; R168-V300 HydrophobicContact CG-CB 4.4Å; R168-V300 HydrophobicContact CG-CG2 4.32Å; R168-V300 PolarHBondContact N-O 3.36Å; R168-V300 PolarHBondContact O-N 2.96Å; R168-V300 VanDerWaalsContact O-N 3.16Å; R168-E324 IonicContact CZ-OE1 3.22Å; R168-E324 IonicContact CZ-OE2 3.92Å; R168-E324 IonicContact NE-OE1 3.57Å; R168-E324 IonicContact NE-OE2 3.05Å; R168-E324 PolarHBondContact NE-OE2 3Å; R168-E324 VanDerWaalsContact NH2-CD 3.28Å; R168-E324 IonicContact NH2-OE1 3.34Å; R168-E324 PolarHBondContact NH2-OE1 3.16Å; R168-E324 IonicContact NH2-OE2 3.68Å; R168-E324 PolarHBondContact NH2-OE2 3.03Å |
| 169 | L | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139 | -177.5 | -179.9 | 72.4 | 0 | 0 | 0 | 109.7 | V161 F163 V171 L206 P296 I297 F298 L310 | V161-L169 HydrophobicContact CG2-CB 3.84Å; V161-L169 HydrophobicContact CG2-CD2 4.33Å; V161-L169 HydrophobicContact CG2-CG 4.43Å; V161-L169 PolarHBondContact N-O 2.84Å; V161-L169 PolarHBondContact O-N 3.12Å; F163-L169 HydrophobicContact CE2-CB 4Å; F163-L169 HydrophobicContact CE2-CD2 4.4Å; F163-L169 HydrophobicContact CZ-CD2 4.5Å; L169-V171 HydrophobicContact CD2-CG1 3.59Å; L169-V171 HydrophobicContact CG-CG1 3.78Å; L169-L206 HydrophobicContact CD2-CB 4.35Å; L169-L206 HydrophobicContact CD2-CD1 4.17Å; L169-P296 HydrophobicContact CD1-CB 3.78Å; L169-P296 HydrophobicContact CD2-CB 4.46Å; L169-I297 WeakPolarHBondContact CD1-O 3.4Å; L169-F298 HydrophobicContact CB-CD1 4.43Å; L169-F298 HydrophobicContact CB-CE1 4.39Å; L169-F298 HydrophobicContact CD1-CD1 4.26Å; L169-F298 HydrophobicContact CD1-CD2 3.66Å; L169-F298 HydrophobicContact CD1-CE1 4.31Å; L169-F298 HydrophobicContact CD1-CE2 3.73Å; L169-F298 HydrophobicContact CD1-CG 3.94Å; L169-F298 HydrophobicContact CD1-CZ 4.06Å; L169-L310 HydrophobicContact CD2-CD2 4.23Å |
| 170 | L | 87.5 | Confident | 84.4 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124.1 | 173 | 177.5 | 61.3 | 0 | 0 | 0 | 109.1 | M158 I160 F268 L272 L292 I297 L299 | M158-L170 HydrophobicContact CB-CD1 4.47Å; M158-L170 HydrophobicContact CE-CD1 3.63Å; M158-L170 HydrophobicContact CE-CD2 4.12Å; M158-L170 HydrophobicContact CE-CG 3.61Å; M158-L170 HydrophobicContact SD-CD1 4.43Å; I160-L170 HydrophobicContact CG1-CD1 4.44Å; L170-F268 HydrophobicContact CD1-CE1 4.49Å; L170-F268 HydrophobicContact CD1-CZ 3.88Å; L170-L272 HydrophobicContact CD1-CD2 4.41Å; L170-L272 HydrophobicContact CD2-CD2 4.43Å; L170-L292 HydrophobicContact CD2-CD2 4.15Å; L170-L292 HydrophobicContact CG-CD2 4.35Å; L170-I297 HydrophobicContact CB-CB 4.41Å; L170-I297 PolarHBondContact N-O 3.21Å; L170-L299 HydrophobicContact CB-CD1 4.26Å; L170-L299 HydrophobicContact CB-CD2 4.44Å; L170-L299 HydrophobicContact CB-CG 4.25Å |
| 171 | V | 84.1 | Confident | 83.6 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 162.6 | -177.4 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | M158 A159 V161 L169 C175 L176 L206 | M158-V171 WeakPolarHBondContact CA-O 3.45Å; M158-V171 WeakPolarHBondContact CB-O 3.36Å; A159-V171 HydrophobicContact CB-CG2 3.86Å; A159-V171 PolarHBondContact N-O 2.81Å; A159-V171 PolarHBondContact O-N 2.87Å; V161-V171 HydrophobicContact CG1-CG2 4Å; V161-V171 HydrophobicContact CG2-CG1 4.4Å; V161-V171 HydrophobicContact CG2-CG2 4.47Å; L169-V171 HydrophobicContact CD2-CG1 3.59Å; L169-V171 HydrophobicContact CG-CG1 3.78Å; V171-C175 HydrophobicContact CB-CB 4.27Å; V171-L176 HydrophobicContact CG2-CD2 4.05Å; V171-L176 HydrophobicContact CG2-CG 4.39Å; V171-L206 HydrophobicContact CG1-CD2 4.48Å |
| 172 | G | 80 | Confident | 82.5 | Confident | 21 Ų | 21 | 35.7 Ų | 35.7 | 22% | 0.216 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 161.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N174 C175 | G172-N174 PolarHBondContact O-N 3.06Å; G172-C175 WeakPolarHBondContact O-CB 3.42Å; G172-C175 PolarHBondContact O-N 3.48Å |
| 173 | D | 79.9 | Confident | 80.9 | Confident | 32 Ų | 32 | 36.7 Ų | 36.7 | 17% | 0.171 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -49.6 | -47.6 | 167.6 | 44.8 | 13.1 | 0 | 0 | 0 | 113.7 | L157 C175 L176 F326 | L157-D173 WeakPolarHBondContact CA-OD2 3.46Å; L157-D173 HydrophobicContact CB-CB 4.07Å; L157-D173 WeakPolarHBondContact CB-OD2 3.25Å; L157-D173 WeakPolarHBondContact CD1-OD2 3.38Å; L157-D173 PolarHBondContact N-OD2 2.96Å; L157-D173 VanDerWaalsContact O-CG 3.22Å; L157-D173 PolarHBondContact O-N 2.83Å; L157-D173 VanDerWaalsContact O-N 3.12Å; D173-C175 PolarHBondContact O-N 3.19Å; D173-L176 WeakPolarHBondContact O-CB 3.38Å; D173-L176 PolarHBondContact O-N 2.99Å; D173-F326 HydrophobicContact CB-CE2 4.25Å |
| 174 | N | 76.6 | Confident | 79.2 | Confident | 96 Ų | 96 | 37.5 Ų | 37.5 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -59.2 | -22.4 | -179.8 | -57.1 | 122.3 | 0 | 0 | 0 | 113.8 | G172 L176 E177 | G172-N174 PolarHBondContact O-N 3.06Å; N174-L176 VanDerWaalsContact C-N 3.25Å; N174-L176 PolarHBondContact O-N 3.24Å; N174-E177 WeakPolarHBondContact CA-OE1 3.43Å; N174-E177 PolarHBondContact ND2-OE1 3.34Å |
| 175 | C | 78.5 | Confident | 77.7 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 8% | 0.081 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -79.5 | -6.8 | 175.8 | -61.8 | 0 | 0 | 0 | 0 | 113.2 | V171 G172 D173 F179 | V171-C175 HydrophobicContact CB-CB 4.27Å; G172-C175 WeakPolarHBondContact O-CB 3.42Å; G172-C175 PolarHBondContact O-N 3.48Å; D173-C175 PolarHBondContact O-N 3.19Å; C175-F179 VanDerWaalsContact O-CD2 3.28Å; C175-F179 WeakPolarHBondContact O-CD2 3.31Å; C175-F179 VanDerWaalsContact O-CE2 3.22Å; C175-F179 WeakPolarHBondContact O-CE2 3.24Å |
| 176 | L | 82.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -13.5 | 178.9 | -55.9 | -177.6 | 0 | 0 | 0 | 113.2 | A159 V161 V171 D173 N174 C178 F179 N193 L199 F321 V323 | A159-L176 HydrophobicContact CB-CD1 3.8Å; V161-L176 HydrophobicContact CG1-CD2 4.24Å; V171-L176 HydrophobicContact CG2-CD2 4.05Å; V171-L176 HydrophobicContact CG2-CG 4.39Å; D173-L176 WeakPolarHBondContact O-CB 3.38Å; D173-L176 PolarHBondContact O-N 2.99Å; N174-L176 VanDerWaalsContact C-N 3.25Å; N174-L176 PolarHBondContact O-N 3.24Å; L176-C178 PolarHBondContact O-N 2.81Å; L176-F179 WeakPolarHBondContact O-CB 3.43Å; L176-F179 PolarHBondContact O-N 3.12Å; L176-N193 WeakPolarHBondContact CB-OD1 3.32Å; L176-L199 HydrophobicContact CB-CD1 4.44Å; L176-L199 HydrophobicContact CD1-CD1 4.39Å; L176-L199 HydrophobicContact CD2-CD1 4.06Å; L176-F321 HydrophobicContact CD2-CE2 3.91Å; L176-F321 HydrophobicContact CD2-CZ 4.01Å; L176-V323 HydrophobicContact CD1-CG2 4.41Å |
| 177 | E | 75.6 | Confident | 74.3 | Confident | 117 Ų | 117 | 37 Ų | 37 | 55% | 0.547 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -34.7 | 177.2 | -67.3 | 168.7 | -160.9 | 0 | 0 | 112.3 | N174 F179 | N174-E177 WeakPolarHBondContact CA-OE1 3.43Å; N174-E177 PolarHBondContact ND2-OE1 3.34Å; E177-F179 PolarHBondContact O-N 2.65Å |
| 178 | C | 75.9 | Confident | 72.4 | Confident | 76 Ų | 76 | 45.5 Ų | 45.5 | 51% | 0.514 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 4.2 | 176.9 | -58.6 | 0 | 0 | 0 | 0 | 114.8 | L176 D205 | L176-C178 PolarHBondContact O-N 2.81Å; C178-D205 HydrophobicContact CB-CB 4.04Å |
| 179 | F | 82.4 | Confident | 70.3 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 6% | 0.061 | 27% | 0.268 | C | S | . | . | trans | -110.6 | 124.7 | -173 | -75 | -98.4 | 0 | 0 | 0 | 112.5 | C175 L176 E177 L199 V200 G201 D202 D205 L206 V319 F321 | C175-F179 VanDerWaalsContact O-CD2 3.28Å; C175-F179 WeakPolarHBondContact O-CD2 3.31Å; C175-F179 VanDerWaalsContact O-CE2 3.22Å; C175-F179 WeakPolarHBondContact O-CE2 3.24Å; L176-F179 WeakPolarHBondContact O-CB 3.43Å; L176-F179 PolarHBondContact O-N 3.12Å; E177-F179 PolarHBondContact O-N 2.65Å; F179-L199 HydrophobicContact CB-CB 4.06Å; F179-L199 HydrophobicContact CB-CD1 4.24Å; F179-L199 HydrophobicContact CB-CD2 4.46Å; F179-L199 HydrophobicContact CB-CG 4.47Å; F179-L199 HydrophobicContact CD1-CB 4.37Å; F179-V200 VanDerWaalsContact CD1-C 3.47Å; F179-G201 VanDerWaalsContact CD1-CA 3.47Å; F179-G201 VanDerWaalsContact CE1-CA 3.4Å; F179-D202 WeakPolarHBondContact CZ-O 3.32Å; F179-D205 HydrophobicContact CE2-CB 3.91Å; F179-D205 HydrophobicContact CZ-CB 4.37Å; F179-L206 HydrophobicContact CE2-CD2 3.8Å; F179-L206 HydrophobicContact CE2-CG 4.3Å; F179-L206 HydrophobicContact CZ-CD2 3.66Å; F179-L206 HydrophobicContact CZ-CG 3.78Å; F179-V319 HydrophobicContact CE1-CG2 4.27Å; F179-F321 AromaticContact CD1-CE1 3.72Å; F179-F321 HydrophobicContact CD1-CE1 3.72Å; F179-F321 AromaticContact CD1-CZ 3.55Å; F179-F321 HydrophobicContact CD1-CZ 3.55Å; F179-F321 HydrophobicContact CD2-CZ 4.4Å; F179-F321 AromaticContact CE1-CE1 3.34Å; F179-F321 HydrophobicContact CE1-CE1 3.34Å; F179-F321 AromaticContact CE1-CZ 3.6Å; F179-F321 HydrophobicContact CE1-CZ 3.6Å; F179-F321 HydrophobicContact CE2-CZ 4.41Å; F179-F321 HydrophobicContact CG-CZ 4.02Å; F179-F321 AromaticContact CZ-CE1 3.9Å; F179-F321 HydrophobicContact CZ-CE1 3.9Å; F179-F321 HydrophobicContact CZ-CZ 4.06Å | ||
| 180 | E | 77.1 | Confident | 68.7 | Low | 120 Ų | 120 | 55.3 Ų | 55.3 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 147.9 | 172.7 | -68.6 | 178.6 | -163.1 | 0 | 0 | 110.7 | F182 P186 L199 V200 | E180-F182 PolarHBondContact O-N 3.41Å; E180-P186 HydrophobicContact CB-CG 4.42Å; E180-P186 HydrophobicContact CG-CG 4.21Å; E180-L199 WeakPolarHBondContact O-CA 3.34Å; E180-V200 HydrophobicContact CB-CG1 4.08Å; E180-V200 PolarHBondContact N-O 3.47Å; E180-V200 PolarHBondContact O-N 2.63Å |
| 181 | S | 75.7 | Confident | 67.6 | Low | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 132.1 | 164.3 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | L183 S184 | S181-L183 VanDerWaalsContact C-N 3.28Å; S181-L183 PolarHBondContact O-N 2.91Å; S181-S184 WeakPolarHBondContact CB-OG 3.18Å; S181-S184 PolarHBondContact OG-N 3.4Å; S181-S184 VanDerWaalsContact OG-N 3.11Å; S181-S184 PolarHBondContact OG-OG 2.64Å |
| 182 | F | 67.1 | Low | 66.9 | Low | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -79.3 | -15.6 | -176.9 | -166.8 | -134.8 | 0 | 0 | 0 | 113.2 | E180 W198 V200 V320 L719 R720 A723 | E180-F182 PolarHBondContact O-N 3.41Å; F182-W198 HydrophobicContact CB-CB 3.98Å; F182-W198 VanDerWaalsContact CB-O 3.28Å; F182-W198 WeakPolarHBondContact CB-O 3.46Å; F182-W198 HydrophobicContact CD1-CB 4.39Å; F182-W198 PolarHBondContact N-O 3.38Å; F182-V200 HydrophobicContact CB-CB 4.35Å; F182-V200 HydrophobicContact CB-CG1 4.35Å; F182-V200 HydrophobicContact CD2-CB 3.62Å; F182-V200 HydrophobicContact CD2-CG1 3.73Å; F182-V200 HydrophobicContact CD2-CG2 4.11Å; F182-V200 HydrophobicContact CE2-CB 4.23Å; F182-V200 HydrophobicContact CE2-CG2 4.23Å; F182-V200 HydrophobicContact CG-CB 4.29Å; F182-V320 HydrophobicContact CD1-CG1 3.73Å; F182-V320 HydrophobicContact CD1-CG2 4.42Å; F182-V320 HydrophobicContact CD2-CG2 4.21Å; F182-V320 HydrophobicContact CE1-CB 4.48Å; F182-V320 HydrophobicContact CE1-CG1 3.67Å; F182-V320 HydrophobicContact CE1-CG2 3.99Å; F182-V320 HydrophobicContact CE2-CG2 3.79Å; F182-V320 HydrophobicContact CG-CG1 4.29Å; F182-V320 HydrophobicContact CG-CG2 4.5Å; F182-V320 HydrophobicContact CZ-CG1 4.22Å; F182-V320 HydrophobicContact CZ-CG2 3.65Å; F182-L719 HydrophobicContact CZ-CB 4.13Å; F182-R720 VanDerWaalsContact CE1-CA 3.5Å; F182-R720 HydrophobicContact CE1-CB 4.09Å; F182-R720 HydrophobicContact CE2-CB 4.38Å; F182-R720 VanDerWaalsContact CZ-CA 3.41Å; F182-R720 HydrophobicContact CZ-CB 3.68Å; F182-R720 PolarHBondContact O-NH2 3.02Å; F182-A723 HydrophobicContact CD1-CB 3.87Å; F182-A723 HydrophobicContact CE1-CB 3.64Å |
| 183 | L | 60.6 | Low | 67 | Low | 47 Ų | 47 | 57.3 Ų | 57.3 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -126.5 | -41.6 | -167.3 | -66.5 | 164.8 | 0 | 0 | 0 | 112.7 | D115 S181 W198 | D115-L183 WeakPolarHBondContact OD1-CD1 3.35Å; S181-L183 VanDerWaalsContact C-N 3.28Å; S181-L183 PolarHBondContact O-N 2.91Å; L183-W198 HydrophobicContact CD1-CB 3.89Å; L183-W198 HydrophobicContact CD1-CG 4.02Å; L183-W198 HydrophobicContact CG-CB 4.47Å |
| 184 | S | 55.2 | Low | 67.4 | Low | 18 Ų | 18 | 55.9 Ų | 55.9 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -88.9 | 157.2 | 171.5 | 61.4 | 0 | 0 | 0 | 0 | 111.7 | S181 | S181-S184 WeakPolarHBondContact CB-OG 3.18Å; S181-S184 PolarHBondContact OG-N 3.4Å; S181-S184 VanDerWaalsContact OG-N 3.11Å; S181-S184 PolarHBondContact OG-OG 2.64Å |
| 185 | V | 51.9 | Low | 67.9 | Low | 28 Ų | 28 | 51.7 Ų | 51.7 | 17% | 0.17 | 26% | 0.258 | C | S | . | . | trans | -68.4 | 139.5 | 174.7 | 172.5 | 0 | 0 | 0 | 0 | 109.7 | K63 D187 | K63-V185 HydrophobicContact CG-CG2 3.96Å; V185-D187 PolarHBondContact O-N 2.78Å | ||
| 186 | P | 48.4 | Very low | 68.2 | Low | 58 Ų | 58 | 52.6 Ų | 52.6 | 38% | 0.377 | 27% | 0.27 | S | S | . | . | trans | -68 | 113.6 | 166.2 | -16.5 | 30.6 | 0 | 0 | 0 | 109.9 | E180 | E180-P186 HydrophobicContact CB-CG 4.42Å; E180-P186 HydrophobicContact CG-CG 4.21Å | ||
| 187 | D | 51.6 | Low | 68.4 | Low | 45 Ų | 45 | 52.6 Ų | 52.6 | 24% | 0.241 | 27% | 0.27 | C | S | . | . | trans | -87.8 | 134 | 160.3 | -54.7 | -78.1 | 0 | 0 | 0 | 107.4 | V185 Y189 R743 | V185-D187 PolarHBondContact O-N 2.78Å; D187-Y189 PolarHBondContact O-N 3.47Å; D187-R743 IonicContact OD2-CZ 2.71Å; D187-R743 IonicContact OD2-NH1 3.84Å; D187-R743 PolarHBondContact OD2-NH1 3.34Å; D187-R743 IonicContact OD2-NH2 3.71Å; D187-R743 PolarHBondContact OD2-NH2 2.71Å | ||
| 188 | E | 49.9 | Very low | 68.9 | Low | 178 Ų | 178 | 47.4 Ų | 47.4 | 83% | 0.832 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -5.1 | -162.8 | -62.4 | -176 | 148.8 | 0 | 0 | 115.3 | ||
| 189 | Y | 46.9 | Very low | 69.5 | Low | 206 Ų | 206 | 43.8 Ų | 43.8 | 81% | 0.808 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129.2 | 5.8 | -166.1 | -69.1 | -82.9 | 0 | 0 | 0 | 115.8 | D187 | D187-Y189 PolarHBondContact O-N 3.47Š|
| 190 | M | 55.8 | Low | 69.6 | Low | 65 Ų | 65 | 44.2 Ų | 44.2 | 32% | 0.32 | 23% | 0.225 | S | C | . | . | trans | -120.8 | 136.1 | -173 | -79 | -66.5 | 172.7 | 0 | 0 | 114.8 | N192 D374 | M190-N192 PolarHBondContact O-N 3.35Å; M190-N192 PolarHBondContact O-ND2 2.98Å; M190-D374 VanDerWaalsContact CE-OD1 3.3Å; M190-D374 WeakPolarHBondContact CE-OD1 3.29Å | ||
| 191 | N | 63.1 | Low | 70 | Confident | 53 Ų | 53 | 39.3 Ų | 39.3 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | trans | -72.7 | 105.8 | 170 | -137.4 | -39.6 | 0 | 0 | 0 | 108.2 | Y132 N193 | Y132-N191 HydrophobicContact CE2-CB 4.14Å; Y132-N191 PolarHBondContact OH-O 3.14Å; N191-N193 VanDerWaalsContact C-N 3.32Å; N191-N193 PolarHBondContact O-N 3.35Å; N191-N193 PolarHBondContact OD1-ND2 2.89Å | ||
| 192 | N | 70.1 | Confident | 70.4 | Confident | 19 Ų | 19 | 40.2 Ų | 40.2 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | trans | -92.8 | 25.3 | -168.6 | -81.9 | -85.2 | 0 | 0 | 0 | 113.8 | M190 Y194 I375 R743 | M190-N192 PolarHBondContact O-N 3.35Å; M190-N192 PolarHBondContact O-ND2 2.98Å; N192-Y194 WeakPolarHBondContact O-CD1 3.21Å; N192-I375 HydrophobicContact CB-CD1 4.49Å; N192-R743 PolarHBondContact OD1-NH2 2.86Å | ||
| 193 | N | 83.2 | Confident | 71.3 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | trans | -100.9 | 101.9 | -165.8 | -73.6 | -57.5 | 0 | 0 | 0 | 113.1 | V131 Y132 L176 N191 L199 F326 | V131-N193 VanDerWaalsContact CG1-O 3.31Å; V131-N193 WeakPolarHBondContact CG1-O 3.27Å; Y132-N193 VanDerWaalsContact OH-C 3.31Å; Y132-N193 WeakPolarHBondContact OH-CA 3.4Å; Y132-N193 WeakPolarHBondContact OH-CB 3.35Å; Y132-N193 PolarHBondContact OH-N 3.5Å; Y132-N193 PolarHBondContact OH-O 3.44Å; L176-N193 WeakPolarHBondContact CB-OD1 3.32Å; N191-N193 VanDerWaalsContact C-N 3.32Å; N191-N193 PolarHBondContact O-N 3.35Å; N191-N193 PolarHBondContact OD1-ND2 2.89Å; N193-L199 WeakPolarHBondContact OD1-CD1 3.19Å; N193-F326 HydrophobicContact CB-CZ 4.36Å; N193-F326 WeakPolarHBondContact O-CD1 3.38Å; N193-F326 VanDerWaalsContact O-CE1 3.29Å; N193-F326 WeakPolarHBondContact O-CE1 3.44Å | ||
| 194 | Y | 87.2 | Confident | 72.2 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | trans | -137.9 | 161.6 | -179 | 59.2 | -90.2 | 0 | 0 | 0 | 113.2 | L114 D115 N192 G196 V197 I375 P741 | L114-Y194 HydrophobicContact CB-CE2 4.26Å; L114-Y194 HydrophobicContact CD1-CD1 4.19Å; L114-Y194 HydrophobicContact CD1-CE1 3.61Å; L114-Y194 HydrophobicContact CD1-CE2 4.33Å; D115-Y194 PolarHBondContact OD2-OH 3.47Å; N192-Y194 WeakPolarHBondContact O-CD1 3.21Å; Y194-G196 PolarHBondContact O-N 3.25Å; Y194-G196 VanDerWaalsContact O-N 3.15Å; Y194-V197 HydrophobicContact CD1-CB 4.03Å; Y194-V197 HydrophobicContact CD1-CG2 4.38Å; Y194-V197 HydrophobicContact CD2-CB 4.02Å; Y194-V197 HydrophobicContact CE1-CB 3.65Å; Y194-V197 HydrophobicContact CE1-CG2 3.63Å; Y194-V197 HydrophobicContact CE2-CB 3.65Å; Y194-V197 HydrophobicContact CE2-CG2 4.29Å; Y194-V197 HydrophobicContact CG-CB 4.2Å; Y194-V197 VanDerWaalsContact CZ-CB 3.46Å; Y194-V197 WeakPolarHBondContact O-CG1 3.47Å; Y194-V197 PolarHBondContact O-N 2.73Å; Y194-I375 HydrophobicContact CD1-CD1 3.84Å; Y194-I375 HydrophobicContact CD1-CG2 3.99Å; Y194-I375 HydrophobicContact CE1-CD1 3.98Å; Y194-I375 HydrophobicContact CG-CG2 4.3Å; Y194-P741 HydrophobicContact CD2-CB 3.4Å; Y194-P741 HydrophobicContact CD2-CG 3.54Å; Y194-P741 HydrophobicContact CE2-CB 3.81Å; Y194-P741 HydrophobicContact CE2-CG 3.61Å; Y194-P741 HydrophobicContact CG-CB 3.96Å | ||
| 195 | E | 88.2 | Confident | 73.2 | Confident | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 114.7 | 175.7 | -73.6 | -167.8 | 143.4 | 0 | 0 | 111.6 | L262 G263 R267 H325 F326 Y377 | E195-L262 HydrophobicContact CB-CD2 4.16Å; E195-L262 VanDerWaalsContact OE2-CA 3.3Å; E195-L262 WeakPolarHBondContact OE2-CA 3.25Å; E195-L262 VanDerWaalsContact OE2-CD2 3.24Å; E195-L262 WeakPolarHBondContact OE2-CD2 3.3Å; E195-G263 PolarHBondContact OE2-N 3.24Å; E195-G263 VanDerWaalsContact OE2-N 3.12Å; E195-R267 IonicContact OE1-NH1 3.26Å; E195-R267 IonicContact OE2-CZ 2.95Å; E195-R267 IonicContact OE2-NH1 3.53Å; E195-R267 PolarHBondContact OE2-NH1 2.71Å; E195-R267 IonicContact OE2-NH2 2.7Å; E195-R267 PolarHBondContact OE2-NH2 2.69Å; E195-H325 WeakPolarHBondContact OE1-CA 3.3Å; E195-H325 IonicContact OE1-CG 3.75Å; E195-H325 IonicContact OE1-ND1 3.43Å; E195-H325 PolarHBondContact OE1-ND1 2.98Å; E195-F326 HydrophobicContact CG-CB 3.9Å; E195-F326 VanDerWaalsContact CG-N 3.26Å; E195-F326 PolarHBondContact OE1-N 3.13Å; E195-F326 VanDerWaalsContact OE1-N 3.13Å; E195-Y377 HydrophobicContact CB-CE1 4.43Å; E195-Y377 PolarHBondContact N-OH 3.24Å |
| 196 | G | 84.4 | Confident | 74.4 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 33% | 0.33 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 123.4 | -35.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y194 C322 V323 | Y194-G196 PolarHBondContact O-N 3.25Å; Y194-G196 VanDerWaalsContact O-N 3.15Å; G196-C322 PolarHBondContact O-SG 3.42Å; G196-C322 VanDerWaalsContact O-SG 3.34Å; G196-V323 PolarHBondContact N-O 2.84Å |
| 197 | V | 85.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -57.4 | 140.9 | -166.9 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | Y194 L199 C322 V323 | Y194-V197 HydrophobicContact CD1-CB 4.03Å; Y194-V197 HydrophobicContact CD1-CG2 4.38Å; Y194-V197 HydrophobicContact CD2-CB 4.02Å; Y194-V197 HydrophobicContact CE1-CB 3.65Å; Y194-V197 HydrophobicContact CE1-CG2 3.63Å; Y194-V197 HydrophobicContact CE2-CB 3.65Å; Y194-V197 HydrophobicContact CE2-CG2 4.29Å; Y194-V197 HydrophobicContact CG-CB 4.2Å; Y194-V197 VanDerWaalsContact CZ-CB 3.46Å; Y194-V197 WeakPolarHBondContact O-CG1 3.47Å; Y194-V197 PolarHBondContact O-N 2.73Å; V197-L199 HydrophobicContact CG1-CD1 4.24Å; V197-L199 HydrophobicContact CG1-CD2 4.07Å; V197-L199 HydrophobicContact CG1-CG 3.93Å; V197-L199 HydrophobicContact CG2-CD2 4.11Å; V197-C322 CarbonylContact O-C 3.16Å; V197-C322 VanDerWaalsContact O-CA 3.32Å; V197-C322 WeakPolarHBondContact O-CA 3.29Å; V197-V323 HydrophobicContact CG1-CB 3.9Å; V197-V323 HydrophobicContact CG1-CG2 3.56Å; V197-V323 PolarHBondContact O-N 3.22Å | ||
| 198 | W | 86.8 | Confident | 75.4 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.1 | 166.6 | -70.1 | 88.8 | 0 | 0 | 0 | 110.4 | L164 F182 L183 V320 F321 C322 A723 I726 | L164-W198 HydrophobicContact CD2-CH2 3.72Å; L164-W198 HydrophobicContact CD2-CZ3 3.53Å; L164-W198 HydrophobicContact CG-CZ3 4.05Å; F182-W198 HydrophobicContact CB-CB 3.98Å; F182-W198 VanDerWaalsContact CB-O 3.28Å; F182-W198 WeakPolarHBondContact CB-O 3.46Å; F182-W198 HydrophobicContact CD1-CB 4.39Å; F182-W198 PolarHBondContact N-O 3.38Å; L183-W198 HydrophobicContact CD1-CB 3.89Å; L183-W198 HydrophobicContact CD1-CG 4.02Å; L183-W198 HydrophobicContact CG-CB 4.47Å; W198-V320 HydrophobicContact CE3-CG1 3.85Å; W198-V320 HydrophobicContact CZ3-CG1 4.34Å; W198-F321 WeakPolarHBondContact CA-O 3.38Å; W198-C322 HydrophobicContact CD2-CB 3.74Å; W198-C322 HydrophobicContact CE3-CB 3.71Å; W198-C322 HydrophobicContact CG-CB 4.46Å; W198-C322 HydrophobicContact CH2-CB 3.85Å; W198-C322 HydrophobicContact CZ2-CB 3.86Å; W198-C322 HydrophobicContact CZ3-CB 3.76Å; W198-A723 HydrophobicContact CD2-CB 4.23Å; W198-A723 HydrophobicContact CE3-CB 4.33Å; W198-I726 HydrophobicContact CH2-CG2 4.25Å; W198-I726 HydrophobicContact CZ2-CB 4.44Å; W198-I726 HydrophobicContact CZ2-CG2 3.79Å |
| 199 | L | 87.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 148.6 | -177.7 | -67.2 | 178.5 | 0 | 0 | 0 | 111.4 | L176 F179 E180 N193 V197 V320 F321 V323 | L176-L199 HydrophobicContact CB-CD1 4.44Å; L176-L199 HydrophobicContact CD1-CD1 4.39Å; L176-L199 HydrophobicContact CD2-CD1 4.06Å; F179-L199 HydrophobicContact CB-CB 4.06Å; F179-L199 HydrophobicContact CB-CD1 4.24Å; F179-L199 HydrophobicContact CB-CD2 4.46Å; F179-L199 HydrophobicContact CB-CG 4.47Å; F179-L199 HydrophobicContact CD1-CB 4.37Å; E180-L199 WeakPolarHBondContact O-CA 3.34Å; N193-L199 WeakPolarHBondContact OD1-CD1 3.19Å; V197-L199 HydrophobicContact CG1-CD1 4.24Å; V197-L199 HydrophobicContact CG1-CD2 4.07Å; V197-L199 HydrophobicContact CG1-CG 3.93Å; V197-L199 HydrophobicContact CG2-CD2 4.11Å; L199-V320 WeakPolarHBondContact O-CA 3.23Å; L199-F321 HydrophobicContact CB-CD2 4.19Å; L199-F321 HydrophobicContact CB-CE2 3.77Å; L199-F321 HydrophobicContact CB-CZ 4.18Å; L199-F321 HydrophobicContact CD1-CE2 3.89Å; L199-F321 HydrophobicContact CG-CE2 4.37Å; L199-F321 PolarHBondContact N-O 2.66Å; L199-F321 PolarHBondContact O-N 3.04Å; L199-V323 HydrophobicContact CD1-CG2 3.72Å; L199-V323 HydrophobicContact CG-CG2 4.34Å |
| 200 | V | 85.6 | Confident | 75.4 | Confident | 22 Ų | 22 | 29.6 Ų | 29.6 | 13% | 0.133 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 138.8 | 175 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | F179 E180 F182 V319 V320 L716 | F179-V200 VanDerWaalsContact CD1-C 3.47Å; E180-V200 HydrophobicContact CB-CG1 4.08Å; E180-V200 PolarHBondContact N-O 3.47Å; E180-V200 PolarHBondContact O-N 2.63Å; F182-V200 HydrophobicContact CB-CB 4.35Å; F182-V200 HydrophobicContact CB-CG1 4.35Å; F182-V200 HydrophobicContact CD2-CB 3.62Å; F182-V200 HydrophobicContact CD2-CG1 3.73Å; F182-V200 HydrophobicContact CD2-CG2 4.11Å; F182-V200 HydrophobicContact CE2-CB 4.23Å; F182-V200 HydrophobicContact CE2-CG2 4.23Å; F182-V200 HydrophobicContact CG-CB 4.29Å; V200-V319 WeakPolarHBondContact CA-O 3.42Å; V200-V320 HydrophobicContact CB-CG2 4.19Å; V200-V320 HydrophobicContact CG2-CG2 3.89Å; V200-L716 HydrophobicContact CG2-CD2 4.21Å |
| 201 | G | 84.9 | Confident | 74.4 | Confident | 17 Ų | 17 | 35.1 Ų | 35.1 | 18% | 0.175 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.3 | -172.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F179 D318 V319 | F179-G201 VanDerWaalsContact CD1-CA 3.47Å; F179-G201 VanDerWaalsContact CE1-CA 3.4Å; G201-D318 WeakPolarHBondContact O-CA 3.27Å; G201-V319 PolarHBondContact N-O 2.97Å; G201-V319 PolarHBondContact O-N 2.99Å |
| 202 | D | 84.7 | Confident | 73.3 | Confident | 29 Ų | 29 | 36.5 Ų | 36.5 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127 | -177.7 | -164.4 | -16.2 | 0 | 0 | 0 | 111.6 | F179 L204 D205 S316 V317 | F179-D202 WeakPolarHBondContact CZ-O 3.32Å; D202-L204 PolarHBondContact O-N 3.33Å; D202-L204 PolarHBondContact OD1-N 3.48Å; D202-D205 PolarHBondContact O-N 3.18Å; D202-S316 WeakPolarHBondContact OD1-CA 3.32Å; D202-S316 WeakPolarHBondContact OD2-CA 3.38Å; D202-S316 WeakPolarHBondContact OD2-CB 3.5Å; D202-S316 PolarHBondContact OD2-OG 3.04Å; D202-V317 PolarHBondContact OD1-N 2.72Å |
| 203 | A | 85 | Confident | 71.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -10.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D205 W309 L310 L313 V317 V319 | A203-D205 VanDerWaalsContact C-N 3.34Å; A203-W309 HydrophobicContact CB-CH2 3.51Å; A203-W309 HydrophobicContact CB-CZ2 3.65Å; A203-L310 WeakPolarHBondContact O-CD1 3.38Å; A203-L313 HydrophobicContact CB-CD1 3.42Å; A203-L313 VanDerWaalsContact CB-CD1 3.42Å; A203-L313 WeakPolarHBondContact O-CD1 3.38Å; A203-V317 WeakPolarHBondContact CB-O 3.44Å; A203-V317 PolarHBondContact N-O 3.35Å; A203-V319 HydrophobicContact CB-CB 4.41Å; A203-V319 HydrophobicContact CB-CG1 3.76Å; A203-V319 HydrophobicContact CB-CG2 3.8Å |
| 204 | L | 79.3 | Confident | 69.2 | Low | 50 Ų | 50 | 44.4 Ų | 44.4 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -33.6 | 166.9 | -71.5 | 177.8 | 0 | 0 | 0 | 113 | D202 L206 R207 L313 | D202-L204 PolarHBondContact O-N 3.33Å; D202-L204 PolarHBondContact OD1-N 3.48Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 PolarHBondContact O-N 3.38Å; L204-R207 WeakPolarHBondContact O-CB 3.46Å; L204-R207 VanDerWaalsContact O-CG 3.32Å; L204-R207 WeakPolarHBondContact O-CG 3.43Å; L204-R207 PolarHBondContact O-N 3.18Å; L204-R207 VanDerWaalsContact O-N 3.15Å; L204-L313 HydrophobicContact CD2-CB 3.7Å; L204-L313 HydrophobicContact CD2-CD1 4.36Å |
| 205 | D | 76.6 | Confident | 66.8 | Low | 51 Ų | 51 | 46.4 Ų | 46.4 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -74 | -27.3 | -176.6 | -59 | -39.2 | 0 | 0 | 0 | 111.7 | C178 F179 D202 A203 R207 S208 | C178-D205 HydrophobicContact CB-CB 4.04Å; F179-D205 HydrophobicContact CE2-CB 3.91Å; F179-D205 HydrophobicContact CZ-CB 4.37Å; D202-D205 PolarHBondContact O-N 3.18Å; A203-D205 VanDerWaalsContact C-N 3.34Å; D205-R207 PolarHBondContact O-N 3.37Å; D205-S208 PolarHBondContact O-N 2.87Å; D205-S208 PolarHBondContact O-OG 2.89Å |
| 206 | L | 78.2 | Confident | 64.3 | Low | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -63.1 | 5 | 168.2 | -57.4 | -179 | 0 | 0 | 0 | 114.5 | F163 L169 V171 F179 L204 L310 V319 F321 | F163-L206 HydrophobicContact CE1-CD1 4.26Å; F163-L206 HydrophobicContact CZ-CD1 3.74Å; L169-L206 HydrophobicContact CD2-CB 4.35Å; L169-L206 HydrophobicContact CD2-CD1 4.17Å; V171-L206 HydrophobicContact CG1-CD2 4.48Å; F179-L206 HydrophobicContact CE2-CD2 3.8Å; F179-L206 HydrophobicContact CE2-CG 4.3Å; F179-L206 HydrophobicContact CZ-CD2 3.66Å; F179-L206 HydrophobicContact CZ-CG 3.78Å; L204-L206 VanDerWaalsContact C-N 3.33Å; L204-L206 PolarHBondContact O-N 3.38Å; L206-L310 HydrophobicContact CB-CD1 4.16Å; L206-L310 HydrophobicContact CB-CD2 4.39Å; L206-V319 HydrophobicContact CD1-CG2 4.3Å; L206-F321 HydrophobicContact CD1-CD1 4.36Å; L206-F321 HydrophobicContact CD1-CE1 3.88Å; L206-F321 HydrophobicContact CD2-CE1 3.91Å; L206-F321 HydrophobicContact CD2-CZ 3.95Å; L206-F321 HydrophobicContact CG-CE1 4.34Å |
| 207 | R | 66.7 | Low | 62.2 | Low | 90 Ų | 90 | 53.8 Ų | 53.8 | 34% | 0.34 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -100.7 | -15.6 | 171.6 | -58.6 | 172.1 | 159.6 | -171.7 | -4 | 114 | L204 D205 S209 L310 S311 L313 | L204-R207 WeakPolarHBondContact O-CB 3.46Å; L204-R207 VanDerWaalsContact O-CG 3.32Å; L204-R207 WeakPolarHBondContact O-CG 3.43Å; L204-R207 PolarHBondContact O-N 3.18Å; L204-R207 VanDerWaalsContact O-N 3.15Å; D205-R207 PolarHBondContact O-N 3.37Å; R207-S209 PolarHBondContact O-N 2.98Å; R207-L310 HydrophobicContact CG-CD1 4.21Å; R207-L310 HydrophobicContact CG-CG 4.4Å; R207-L310 VanDerWaalsContact CZ-O 3.27Å; R207-L310 PolarHBondContact NE-O 3.05Å; R207-L310 PolarHBondContact NH2-O 3.17Å; R207-S311 VanDerWaalsContact NH2-C 3.26Å; R207-S311 PolarHBondContact NH2-O 2.89Å; R207-L313 PolarHBondContact NH1-O 2.8Å; R207-L313 PolarHBondContact NH2-O 3.43Å |
| 208 | S | 53.5 | Low | 60.1 | Low | 69 Ų | 69 | 54.9 Ų | 54.9 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | trans | -79.8 | 48.7 | -165.3 | 61.7 | 0 | 0 | 0 | 0 | 114 | D205 M210 | D205-S208 PolarHBondContact O-N 2.87Å; D205-S208 PolarHBondContact O-OG 2.89Å; S208-M210 PolarHBondContact O-N 2.89Å; S208-M210 VanDerWaalsContact O-N 3.09Å | ||
| 209 | S | 49.9 | Very low | 58.1 | Low | 31 Ų | 31 | 56.8 Ų | 56.8 | 22% | 0.217 | 32% | 0.316 | C | S | . | . | trans | -71.1 | 107.5 | -177.9 | 66.3 | 0 | 0 | 0 | 0 | 113.1 | R207 L292 R294 | R207-S209 PolarHBondContact O-N 2.98Å; S209-L292 VanDerWaalsContact CB-O 3.23Å; S209-L292 WeakPolarHBondContact CB-O 3.38Å; S209-L292 PolarHBondContact OG-O 2.93Å; S209-R294 PolarHBondContact OG-N 2.83Å | ||
| 210 | M | 46.5 | Very low | 56 | Low | 70 Ų | 70 | 57.3 Ų | 57.3 | 35% | 0.345 | 32% | 0.318 | S | S | . | . | trans | 66.2 | 71.2 | 158.5 | -48.6 | -169.3 | 95.1 | 0 | 0 | 117.5 | S208 S212 K293 | S208-M210 PolarHBondContact O-N 2.89Å; S208-M210 VanDerWaalsContact O-N 3.09Å; M210-S212 VanDerWaalsContact C-N 3.27Å; M210-S212 PolarHBondContact O-N 3.21Å; M210-K293 HydrophobicContact CB-CG 4.37Å; M210-K293 HydrophobicContact CG-CG 4.43Å; M210-K293 HydrophobicContact SD-CB 4.33Å; M210-K293 HydrophobicContact SD-CD 4.49Å; M210-K293 HydrophobicContact SD-CG 3.4Å; M210-K293 WeakPolarHBondContact SD-CG 3.48Å | ||
| 211 | N | 36.1 | Very low | 54 | Low | 181 Ų | 181 | 56.9 Ų | 56.9 | 97% | 0.968 | 32% | 0.315 | S | S | * | . | trans | -87.1 | 53.8 | 157.3 | -88.5 | -11.8 | 0 | 0 | 0 | 111.6 | ||||
| 212 | S | 38.6 | Very low | 51.9 | Low | 82 Ų | 82 | 61.2 Ų | 61.2 | 57% | 0.573 | 34% | 0.343 | S | S | * | . | trans | -143.1 | 154 | 175 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | M210 | M210-S212 VanDerWaalsContact C-N 3.27Å; M210-S212 PolarHBondContact O-N 3.21Å | ||
| 213 | S | 33.1 | Very low | 49.7 | Very low | 68 Ų | 68 | 63.3 Ų | 63.3 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | trans | -65.8 | 153.8 | -160.5 | -52.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 214 | K | 34.7 | Very low | 47.1 | Very low | 122 Ų | 122 | 67.3 Ų | 67.3 | 53% | 0.53 | 38% | 0.379 | S | S | . | . | trans | 28.3 | 92.2 | 145 | -56 | 173.3 | -168.3 | 164.7 | 0 | 117 | S1181 | K214-S1181 PolarHBondContact NZ-O 3.2Š| ||
| 215 | S | 36.6 | Very low | 45 | Very low | 43 Ų | 43 | 68.8 Ų | 68.8 | 30% | 0.301 | 39% | 0.39 | S | S | . | . | trans | -150.1 | 160.8 | 154.9 | -170.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 216 | S | 36.6 | Very low | 42.7 | Very low | 72 Ų | 72 | 74.2 Ų | 74.2 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | trans | -71.4 | -170.1 | -161.2 | 51.9 | 0 | 0 | 0 | 0 | 115.9 | F218 | S216-F218 PolarHBondContact O-N 2.93Š| ||
| 217 | K | 40.1 | Very low | 40.4 | Very low | 122 Ų | 122 | 79.3 Ų | 79.3 | 53% | 0.53 | 46% | 0.455 | S | S | . | . | trans | -53.3 | 135.1 | 166.8 | -66.5 | -176.1 | 176.9 | -161.7 | 0 | 109.4 | E286 | K217-E286 HydrophobicContact CD-CG 3.95Å; K217-E286 WeakPolarHBondContact CE-OE1 3.36Å; K217-E286 WeakPolarHBondContact CE-OE2 3.38Å; K217-E286 HydrophobicContact CG-CG 4.32Å; K217-E286 IonicContact NZ-OE1 3.44Å; K217-E286 PolarHBondContact NZ-OE1 3.37Å; K217-E286 IonicContact NZ-OE2 3.32Å; K217-E286 PolarHBondContact NZ-OE2 2.77Å; K217-E286 VanDerWaalsContact NZ-OE2 3.13Å | ||
| 218 | F | 40.8 | Very low | 38.5 | Very low | 23 Ų | 23 | 80.8 Ų | 80.8 | 10% | 0.101 | 48% | 0.48 | C | S | . | . | trans | -114.3 | 74.1 | -172.2 | -164.5 | -79.9 | 0 | 0 | 0 | 107 | S216 F220 T289 L292 E330 | S216-F218 PolarHBondContact O-N 2.93Å; F218-F220 HydrophobicContact CD1-CB 4.14Å; F218-F220 HydrophobicContact CE1-CB 4.41Å; F218-F220 HydrophobicContact CE1-CD2 4.18Å; F218-F220 HydrophobicContact CE1-CG 4.49Å; F218-F220 PolarHBondContact O-N 3.47Å; F218-T289 HydrophobicContact CB-CG2 3.52Å; F218-T289 VanDerWaalsContact CB-OG1 3.27Å; F218-T289 WeakPolarHBondContact CB-OG1 3.46Å; F218-T289 HydrophobicContact CG-CG2 4.47Å; F218-T289 PolarHBondContact N-OG1 3.29Å; F218-L292 HydrophobicContact CE1-CD1 4.1Å; F218-E330 VanDerWaalsContact CD2-OE2 3.26Å; F218-E330 WeakPolarHBondContact CD2-OE2 3.42Å; F218-E330 WeakPolarHBondContact CE2-OE2 3.47Å | ||
| 219 | D | 44.6 | Very low | 37.4 | Very low | 49 Ų | 49 | 82.6 Ų | 82.6 | 26% | 0.262 | 49% | 0.492 | S | S | . | . | trans | -81.6 | 63.5 | -167 | -83.8 | -25.8 | 0 | 0 | 0 | 112.7 | L221 P285 E286 | D219-L221 PolarHBondContact O-N 3.38Å; D219-P285 HydrophobicContact CB-CB 4.17Å; D219-P285 HydrophobicContact CB-CG 4.38Å; D219-P285 WeakPolarHBondContact OD1-CB 3.42Å; D219-P285 WeakPolarHBondContact OD1-CG 3.46Å; D219-E286 WeakPolarHBondContact OD1-CG 3.47Å; D219-E286 PolarHBondContact OD1-N 2.88Å | ||
| 220 | F | 44.1 | Very low | 36.4 | Very low | 11 Ų | 11 | 87.2 Ų | 87.2 | 5% | 0.048 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.1 | -164.9 | -173.9 | -117.5 | 0 | 0 | 0 | 116.5 | F218 L269 L272 I288 V329 | F218-F220 HydrophobicContact CD1-CB 4.14Å; F218-F220 HydrophobicContact CE1-CB 4.41Å; F218-F220 HydrophobicContact CE1-CD2 4.18Å; F218-F220 HydrophobicContact CE1-CG 4.49Å; F218-F220 PolarHBondContact O-N 3.47Å; F220-L269 HydrophobicContact CE2-CD2 3.92Å; F220-L269 HydrophobicContact CZ-CD2 3.86Å; F220-L272 HydrophobicContact CE1-CD1 3.76Å; F220-L272 HydrophobicContact CZ-CD1 3.5Å; F220-I288 HydrophobicContact CB-CD1 3.84Å; F220-I288 HydrophobicContact CD1-CD1 4.24Å; F220-I288 HydrophobicContact CD1-CG2 4.49Å; F220-V329 HydrophobicContact CE2-CB 4.35Å; F220-V329 HydrophobicContact CE2-CG1 4.41Å |
| 221 | L | 43.4 | Very low | 35.6 | Very low | 12 Ų | 12 | 92.1 Ų | 92.1 | 6% | 0.063 | 53% | 0.534 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -142.2 | 54.9 | -168.5 | -68.9 | 173.3 | 0 | 0 | 0 | 113.7 | D219 L223 T278 F281 A282 I288 | D219-L221 PolarHBondContact O-N 3.38Å; L221-L223 HydrophobicContact CD2-CD1 4.1Å; L221-L223 HydrophobicContact CD2-CG 4.35Å; L221-L223 PolarHBondContact O-N 3.24Å; L221-T278 WeakPolarHBondContact CD1-O 3.45Å; L221-F281 HydrophobicContact CD1-CB 3.53Å; L221-A282 HydrophobicContact CB-CB 3.96Å; L221-A282 HydrophobicContact CD1-CB 4.47Å; L221-I288 HydrophobicContact CB-CD1 4.34Å; L221-I288 HydrophobicContact CD1-CD1 3.87Å; L221-I288 HydrophobicContact CG-CD1 4.15Å |
| 222 | S | 40.9 | Very low | 35.2 | Very low | 109 Ų | 109 | 90 Ų | 90 | 76% | 0.762 | 53% | 0.531 | S | S | * | . | trans | -69.2 | 44 | 162.5 | 47.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 223 | L | 37.6 | Very low | 34.6 | Very low | 73 Ų | 73 | 97.1 Ų | 97.1 | 38% | 0.382 | 55% | 0.546 | S | S | . | . | trans | -65.6 | 132.3 | 172.2 | -67.9 | 173.5 | 0 | 0 | 0 | 109.3 | L221 V225 A282 | L221-L223 HydrophobicContact CD2-CD1 4.1Å; L221-L223 HydrophobicContact CD2-CG 4.35Å; L221-L223 PolarHBondContact O-N 3.24Å; L223-V225 PolarHBondContact O-N 3.08Å; L223-A282 HydrophobicContact CD1-CB 4.41Å | ||
| 224 | P | 31 | Very low | 34.4 | Very low | 83 Ų | 83 | 100.8 Ų | 100.8 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | trans | -62.6 | 129 | 175.4 | -14.8 | 25.8 | 0 | 0 | 0 | 110.4 | Y250 | P224-Y250 HydrophobicContact CG-CE1 4.29Å; P224-Y250 HydrophobicContact CG-CE2 3.88Å; P224-Y250 VanDerWaalsContact CG-OH 3.24Å; P224-Y250 WeakPolarHBondContact CG-OH 3.42Å | ||
| 225 | V | 34.9 | Very low | 34.1 | Very low | 81 Ų | 81 | 100.4 Ų | 100.4 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | trans | -113.2 | 116.2 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | L223 S227 | L223-V225 PolarHBondContact O-N 3.08Å; V225-S227 PolarHBondContact O-N 3.12Å; V225-S227 VanDerWaalsContact O-N 3.16Å; V225-S227 PolarHBondContact O-OG 3.38Å | ||
| 226 | D | 27.8 | Very low | 33.8 | Very low | 166 Ų | 166 | 105.5 Ų | 105.5 | 89% | 0.888 | 59% | 0.587 | S | S | * | * | trans | -53.1 | 118.7 | 175.5 | -67.7 | -57.9 | 0 | 0 | 0 | 110.9 | ||||
| 227 | S | 31.4 | Very low | 33.5 | Very low | 109 Ų | 109 | 110 Ų | 110 | 76% | 0.762 | 60% | 0.598 | S | S | * | * | trans | -137.7 | 61.4 | -173.8 | 37.2 | 0 | 0 | 0 | 0 | 111.4 | V225 S229 | V225-S227 PolarHBondContact O-N 3.12Å; V225-S227 VanDerWaalsContact O-N 3.16Å; V225-S227 PolarHBondContact O-OG 3.38Å; S227-S229 PolarHBondContact O-N 2.85Å | ||
| 228 | S | 27.2 | Very low | 33 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 85% | 0.846 | 61% | 0.614 | S | S | * | * | trans | -74.6 | 85.7 | 175.6 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 229 | S | 29.9 | Very low | 32.4 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | trans | -169.5 | 122.4 | 148 | 63.3 | 0 | 0 | 0 | 0 | 115 | S227 | S227-S229 PolarHBondContact O-N 2.85Š| ||
| 230 | D | 28.7 | Very low | 31.6 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 68% | 0.679 | 67% | 0.673 | S | S | * | * | trans | 62.3 | 128.2 | 137 | -103 | 16 | 0 | 0 | 0 | 123.2 | ||||
| 231 | K | 29.2 | Very low | 31.1 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | trans | 78.1 | 91.9 | 150.3 | -56.8 | 156.5 | -178.8 | 117.1 | 0 | 118.3 | ||||
| 232 | C | 28 | Very low | 30.7 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 92% | 0.919 | 75% | 0.749 | S | S | * | * | -148.5 | 158.5 | 98.2 | -127.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 233 | R | 25 | Very low | 30.1 | Very low | 231 Ų | 231 | 136.9 Ų | 136.9 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | trans | -119.3 | 167.5 | 179.6 | -79.6 | -177.8 | 170.8 | 169.5 | -3.2 | 110.2 | ||||
| 234 | N | 28.8 | Very low | 29.8 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | 86.2 | 132 | 170.9 | -50.2 | -14.6 | 0 | 0 | 0 | 114 | ||||
| 235 | T | 29.7 | Very low | 29.7 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | cis | -161.2 | 133.3 | -5 | 9.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 236 | E | 30.6 | Very low | 29.5 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | 63.5 | 150.4 | 148.7 | -56.1 | -167.9 | 130.9 | 0 | 0 | 120.5 | ||||
| 237 | K | 29 | Very low | 29.7 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 73% | 0.726 | 75% | 0.753 | S | S | * | * | cis | -170.4 | 116.3 | -22.4 | -108.6 | 169.4 | -178.8 | 163.2 | 0 | 107.9 | ||||
| 238 | L | 30.2 | Very low | 29.6 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | trans | 176.6 | 80.1 | 161.9 | -97.4 | 143.7 | 0 | 0 | 0 | 108 | ||||
| 239 | T | 28.7 | Very low | 29.9 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 72% | 0.718 | 72% | 0.72 | S | S | * | * | 70.7 | 121.7 | 95.4 | 58.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 240 | N | 28.3 | Very low | 30.1 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | trans | 72.1 | 75.5 | 164 | -63.6 | 2.9 | 0 | 0 | 0 | 119.1 | ||||
| 241 | S | 32.8 | Very low | 30.2 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | trans | -140.6 | 154.3 | 143.7 | 62.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 242 | K | 35 | Very low | 30.2 | Very low | 198 Ų | 198 | 134 Ų | 134 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | trans | -76.7 | 131.9 | 176.4 | -75.2 | 178.7 | 179.6 | 172.1 | 0 | 109.5 | I244 | K242-I244 PolarHBondContact O-N 3.03Š| ||
| 243 | S | 28.7 | Very low | 30.4 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 69% | 0.688 | S | S | * | * | trans | -71.4 | 98.1 | 174.3 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 244 | I | 30.7 | Very low | 30.9 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 62% | 0.621 | 67% | 0.67 | S | S | * | * | trans | -77.9 | 133.9 | 163.9 | -62.8 | 174.3 | 0 | 0 | 0 | 107.7 | K242 D248 I249 | K242-I244 PolarHBondContact O-N 3.03Å; I244-D248 HydrophobicContact CG2-CB 4.08Å; I244-I249 HydrophobicContact CG2-CG1 4.19Å | ||
| 245 | T | 30.1 | Very low | 31 | Very low | 79 Ų | 79 | 121.4 Ų | 121.4 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | trans | -82.8 | 145.1 | -178.2 | 2.2 | 0 | 0 | 0 | 0 | 110.5 | S247 D248 | T245-S247 PolarHBondContact O-N 2.86Å; T245-D248 VanDerWaalsContact CB-OD2 3.29Å; T245-D248 WeakPolarHBondContact CB-OD2 3.4Å; T245-D248 PolarHBondContact N-OD2 3.12Å; T245-D248 VanDerWaalsContact N-OD2 3.12Å; T245-D248 WeakPolarHBondContact O-CB 3.25Å; T245-D248 PolarHBondContact O-N 3.15Å; T245-D248 PolarHBondContact OG1-OD2 3.01Å | ||
| 246 | P | 30.3 | Very low | 31.2 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 71% | 0.708 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -21.7 | -178.4 | -27.9 | 36.5 | 0 | 0 | 0 | 115.2 | D248 | P246-D248 VanDerWaalsContact C-N 3.26Å; P246-D248 PolarHBondContact O-N 3.33Å |
| 247 | S | 30.5 | Very low | 31.4 | Very low | 67 Ų | 67 | 121 Ų | 121 | 47% | 0.469 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -26.2 | 173.2 | 48.1 | 0 | 0 | 0 | 0 | 114.6 | T245 N251 | T245-S247 PolarHBondContact O-N 2.86Å; S247-N251 PolarHBondContact O-ND2 3.15Å |
| 248 | D | 31 | Very low | 32.3 | Very low | 68 Ų | 68 | 116.4 Ų | 116.4 | 36% | 0.364 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.1 | -16.9 | -163.5 | -47.6 | -29.6 | 0 | 0 | 0 | 111.9 | I244 T245 P246 N252 | I244-D248 HydrophobicContact CG2-CB 4.08Å; T245-D248 VanDerWaalsContact CB-OD2 3.29Å; T245-D248 WeakPolarHBondContact CB-OD2 3.4Å; T245-D248 PolarHBondContact N-OD2 3.12Å; T245-D248 VanDerWaalsContact N-OD2 3.12Å; T245-D248 WeakPolarHBondContact O-CB 3.25Å; T245-D248 PolarHBondContact O-N 3.15Å; T245-D248 PolarHBondContact OG1-OD2 3.01Å; P246-D248 VanDerWaalsContact C-N 3.26Å; P246-D248 PolarHBondContact O-N 3.33Å; D248-N252 PolarHBondContact O-ND2 3.45Å |
| 249 | I | 33.6 | Very low | 33.8 | Very low | 109 Ų | 109 | 115 Ų | 115 | 56% | 0.559 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -32.9 | -179.5 | -61.3 | 175.9 | 0 | 0 | 0 | 111.1 | I244 | I244-I249 HydrophobicContact CG2-CG1 4.19Š|
| 250 | Y | 32.3 | Very low | 35.9 | Very low | 156 Ų | 156 | 111.2 Ų | 111.2 | 61% | 0.612 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -84.1 | -11.8 | -173.3 | -99.6 | -84.9 | 0 | 0 | 0 | 115.9 | P224 | P224-Y250 HydrophobicContact CG-CE1 4.29Å; P224-Y250 HydrophobicContact CG-CE2 3.88Å; P224-Y250 VanDerWaalsContact CG-OH 3.24Å; P224-Y250 WeakPolarHBondContact CG-OH 3.42Å |
| 251 | N | 31 | Very low | 38.4 | Very low | 133 Ų | 133 | 104.5 Ų | 104.5 | 71% | 0.711 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -106.2 | -4.4 | -176.5 | -73 | -62.9 | 0 | 0 | 0 | 114.8 | S247 | S247-N251 PolarHBondContact O-ND2 3.15Š|
| 252 | N | 29.5 | Very low | 40.7 | Very low | 139 Ų | 139 | 100 Ų | 100 | 74% | 0.743 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -116.8 | 2 | -166.5 | -78 | -51.2 | 0 | 0 | 0 | 116 | D248 | D248-N252 PolarHBondContact O-ND2 3.45Š|
| 253 | S | 33.8 | Very low | 42.9 | Very low | 52 Ų | 52 | 90.7 Ų | 90.7 | 36% | 0.364 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -118.6 | -25.4 | -178.6 | 54.7 | 0 | 0 | 0 | 0 | 115.2 | L575 | S253-L575 WeakPolarHBondContact O-CD2 3.34Š|
| 254 | Y | 35.5 | Very low | 45.5 | Very low | 127 Ų | 127 | 86.4 Ų | 86.4 | 50% | 0.498 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -126.2 | 111.4 | 175.2 | -69.7 | -78.4 | 0 | 0 | 0 | 110.1 | F260 | Y254-F260 HydrophobicContact CD1-CZ 4.19Å; Y254-F260 HydrophobicContact CE1-CZ 4.17Å |
| 255 | S | 29.7 | Very low | 48.1 | Very low | 69 Ų | 69 | 80.9 Ų | 80.9 | 48% | 0.483 | 45% | 0.453 | S | S | . | . | trans | -72.5 | 135.6 | 172.2 | 86 | 0 | 0 | 0 | 0 | 109.5 | N257 E258 | S255-N257 PolarHBondContact O-N 3.14Å; S255-E258 PolarHBondContact O-N 3.01Å; S255-E258 VanDerWaalsContact O-N 3.16Å | ||
| 256 | A | 34.9 | Very low | 50.6 | Low | 109 Ų | 109 | 77.9 Ų | 77.9 | 90% | 0.901 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 1.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 257 | N | 33.5 | Very low | 53.2 | Low | 145 Ų | 145 | 75.7 Ų | 75.7 | 78% | 0.775 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 0.4 | -179.8 | -64.5 | -12.2 | 0 | 0 | 0 | 113.4 | S255 T259 | S255-N257 PolarHBondContact O-N 3.14Å; N257-T259 PolarHBondContact O-N 2.54Å |
| 258 | E | 48.3 | Very low | 55.8 | Low | 70 Ų | 70 | 72.5 Ų | 72.5 | 33% | 0.327 | 39% | 0.389 | S | S | . | . | trans | -83.3 | 104.7 | 178.1 | -72.2 | -171.5 | 157.4 | 0 | 0 | 112.1 | S255 F260 K577 | S255-E258 PolarHBondContact O-N 3.01Å; S255-E258 VanDerWaalsContact O-N 3.16Å; E258-F260 PolarHBondContact O-N 3.33Å; E258-K577 IonicContact OE1-NZ 2.7Å; E258-K577 PolarHBondContact OE1-NZ 2.87Å | ||
| 259 | T | 62.5 | Low | 58.2 | Low | 137 Ų | 137 | 70.3 Ų | 70.3 | 84% | 0.84 | 38% | 0.377 | S | S | * | . | trans | -76.4 | 98.4 | 174.9 | 52.3 | 0 | 0 | 0 | 0 | 111 | N257 | N257-T259 PolarHBondContact O-N 2.54Š| ||
| 260 | F | 72.7 | Confident | 60.5 | Low | 38 Ų | 38 | 69.8 Ų | 69.8 | 17% | 0.167 | 37% | 0.372 | C | S | . | . | trans | -57.7 | 146 | 169.6 | -68.5 | -75.8 | 0 | 0 | 0 | 112 | Y254 E258 H264 I266 R267 | Y254-F260 HydrophobicContact CD1-CZ 4.19Å; Y254-F260 HydrophobicContact CE1-CZ 4.17Å; E258-F260 PolarHBondContact O-N 3.33Å; F260-H264 HydrophobicContact CB-CB 4.05Å; F260-H264 AromaticContact CD1-CE1 3.46Å; F260-H264 VanDerWaalsContact CD1-CE1 3.46Å; F260-H264 WeakPolarHBondContact CD1-CE1 3.1Å; F260-H264 AromaticContact CD1-CG 3.97Å; F260-H264 AromaticContact CD1-ND1 3.3Å; F260-H264 VanDerWaalsContact CD1-ND1 3.3Å; F260-H264 WeakPolarHBondContact CD1-ND1 3.13Å; F260-H264 AromaticContact CE1-CE1 3.76Å; F260-H264 AromaticContact CE1-ND1 3.97Å; F260-H264 AromaticContact CG-ND1 3.8Å; F260-I266 HydrophobicContact CD1-CB 4.43Å; F260-I266 HydrophobicContact CD2-CB 4.34Å; F260-I266 HydrophobicContact CD2-CG2 4.01Å; F260-I266 HydrophobicContact CE1-CB 4.27Å; F260-I266 HydrophobicContact CE1-CD1 3.91Å; F260-I266 HydrophobicContact CE1-CG2 4.39Å; F260-I266 HydrophobicContact CE2-CB 4.19Å; F260-I266 HydrophobicContact CE2-CG2 3.55Å; F260-I266 HydrophobicContact CG-CB 4.47Å; F260-I266 HydrophobicContact CZ-CB 4.15Å; F260-I266 HydrophobicContact CZ-CD1 3.92Å; F260-I266 HydrophobicContact CZ-CG2 3.77Å; F260-R267 HydrophobicContact CB-CB 4Å; F260-R267 WeakPolarHBondContact O-CD 3.48Å | ||
| 261 | P | 79.3 | Confident | 63 | Low | 25 Ų | 25 | 62.5 Ų | 62.5 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | trans | -68.8 | 175.7 | -175.5 | 27.5 | -34.4 | 0 | 0 | 0 | 113.9 | H264 R267 W739 | P261-H264 HydrophobicContact CG-CB 4.06Å; P261-H264 WeakPolarHBondContact O-CB 3.47Å; P261-R267 PolarHBondContact O-NH1 2.78Å; P261-R267 VanDerWaalsContact O-NH1 3.14Å; P261-W739 HydrophobicContact CB-CD2 3.92Å; P261-W739 HydrophobicContact CB-CG 4.15Å; P261-W739 HydrophobicContact CB-CZ2 4.01Å | ||
| 262 | L | 82.3 | Confident | 65.4 | Low | 25 Ų | 25 | 56.2 Ų | 56.2 | 13% | 0.131 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 144 | 163.8 | -62.3 | 177.9 | 0 | 0 | 0 | 110.3 | R129 E195 H264 Y377 W739 | R129-L262 PolarHBondContact NH1-O 3.01Å; E195-L262 HydrophobicContact CB-CD2 4.16Å; E195-L262 VanDerWaalsContact OE2-CA 3.3Å; E195-L262 WeakPolarHBondContact OE2-CA 3.25Å; E195-L262 VanDerWaalsContact OE2-CD2 3.24Å; E195-L262 WeakPolarHBondContact OE2-CD2 3.3Å; L262-H264 VanDerWaalsContact C-N 3.3Å; L262-H264 PolarHBondContact O-N 3.31Å; L262-Y377 HydrophobicContact CB-CD1 3.48Å; L262-Y377 VanDerWaalsContact CB-CD1 3.48Å; L262-Y377 HydrophobicContact CB-CD2 4.07Å; L262-Y377 HydrophobicContact CB-CE1 3.55Å; L262-Y377 HydrophobicContact CB-CE2 4.13Å; L262-Y377 HydrophobicContact CB-CG 3.75Å; L262-Y377 HydrophobicContact CD1-CD1 3.46Å; L262-Y377 VanDerWaalsContact CD1-CD1 3.46Å; L262-Y377 HydrophobicContact CD1-CE1 3.72Å; L262-Y377 HydrophobicContact CD1-CG 4.37Å; L262-Y377 HydrophobicContact CG-CD1 4.12Å; L262-Y377 HydrophobicContact CG-CE1 4.23Å; L262-W739 HydrophobicContact CB-CB 4.41Å; L262-W739 HydrophobicContact CD1-CB 3.96Å; L262-W739 WeakPolarHBondContact CD1-O 3.04Å; L262-W739 HydrophobicContact CG-CB 3.79Å |
| 263 | G | 80.9 | Confident | 67.7 | Low | 3 Ų | 3 | 51.7 Ų | 51.7 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 20.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | R129 E195 F326 | R129-G263 VanDerWaalsContact NH1-C 3.25Å; R129-G263 PolarHBondContact NH1-O 3.12Å; E195-G263 PolarHBondContact OE2-N 3.24Å; E195-G263 VanDerWaalsContact OE2-N 3.12Å; G263-F326 WeakPolarHBondContact CA-O 3.22Å |
| 264 | H | 84.1 | Confident | 70 | Confident | 34 Ų | 34 | 56 Ų | 56 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | trans | -91.7 | 128 | -179.7 | -159.5 | -96.7 | 0 | 0 | 0 | 112.1 | F260 P261 L262 I266 R267 F268 | F260-H264 HydrophobicContact CB-CB 4.05Å; F260-H264 AromaticContact CD1-CE1 3.46Å; F260-H264 VanDerWaalsContact CD1-CE1 3.46Å; F260-H264 WeakPolarHBondContact CD1-CE1 3.1Å; F260-H264 AromaticContact CD1-CG 3.97Å; F260-H264 AromaticContact CD1-ND1 3.3Å; F260-H264 VanDerWaalsContact CD1-ND1 3.3Å; F260-H264 WeakPolarHBondContact CD1-ND1 3.13Å; F260-H264 AromaticContact CE1-CE1 3.76Å; F260-H264 AromaticContact CE1-ND1 3.97Å; F260-H264 AromaticContact CG-ND1 3.8Å; P261-H264 HydrophobicContact CG-CB 4.06Å; P261-H264 WeakPolarHBondContact O-CB 3.47Å; L262-H264 VanDerWaalsContact C-N 3.3Å; L262-H264 PolarHBondContact O-N 3.31Å; H264-I266 VanDerWaalsContact C-N 3.3Å; H264-I266 PolarHBondContact ND1-N 3.02Å; H264-I266 PolarHBondContact O-N 3.07Å; H264-R267 HydrophobicContact CB-CB 4.31Å; H264-R267 WeakPolarHBondContact O-CB 3.4Å; H264-R267 PolarHBondContact O-N 3.46Å; H264-F268 PolarHBondContact O-N 3.26Å | ||
| 265 | P | 84 | Confident | 72.1 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.1 | -43.3 | -178.6 | -30.2 | 36.9 | 0 | 0 | 0 | 113.8 | R267 F268 L269 P328 L356 | P265-R267 VanDerWaalsContact C-N 3.28Å; P265-R267 PolarHBondContact O-N 2.82Å; P265-F268 WeakPolarHBondContact O-CB 3.38Å; P265-F268 PolarHBondContact O-N 3.02Å; P265-L269 VanDerWaalsContact O-CG 3.3Å; P265-L269 WeakPolarHBondContact O-CG 3.29Å; P265-L269 PolarHBondContact O-N 3.31Å; P265-P328 HydrophobicContact CG-CG 4.01Å; P265-L356 HydrophobicContact CB-CB 4.03Å; P265-L356 HydrophobicContact CB-CD1 4.33Å; P265-L356 HydrophobicContact CG-CB 4.07Å; P265-L356 HydrophobicContact CG-CD1 4.49Å |
| 266 | I | 82.4 | Confident | 74 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 178.9 | -56.4 | -178.9 | 0 | 0 | 0 | 111.6 | F260 H264 L269 Q270 L354 | F260-I266 HydrophobicContact CD1-CB 4.43Å; F260-I266 HydrophobicContact CD2-CB 4.34Å; F260-I266 HydrophobicContact CD2-CG2 4.01Å; F260-I266 HydrophobicContact CE1-CB 4.27Å; F260-I266 HydrophobicContact CE1-CD1 3.91Å; F260-I266 HydrophobicContact CE1-CG2 4.39Å; F260-I266 HydrophobicContact CE2-CB 4.19Å; F260-I266 HydrophobicContact CE2-CG2 3.55Å; F260-I266 HydrophobicContact CG-CB 4.47Å; F260-I266 HydrophobicContact CZ-CB 4.15Å; F260-I266 HydrophobicContact CZ-CD1 3.92Å; F260-I266 HydrophobicContact CZ-CG2 3.77Å; H264-I266 VanDerWaalsContact C-N 3.3Å; H264-I266 PolarHBondContact ND1-N 3.02Å; H264-I266 PolarHBondContact O-N 3.07Å; I266-L269 PolarHBondContact O-N 3.31Å; I266-Q270 HydrophobicContact CG2-CG 4.27Å; I266-Q270 VanDerWaalsContact O-CB 3.32Å; I266-Q270 WeakPolarHBondContact O-CB 3.35Å; I266-Q270 WeakPolarHBondContact O-CG 3.28Å; I266-Q270 PolarHBondContact O-N 3.47Å; I266-L354 HydrophobicContact CG1-CD2 4.27Å; I266-L354 HydrophobicContact CG2-CD2 4.32Å |
| 267 | R | 84.9 | Confident | 75.6 | Confident | 63 Ų | 63 | 46.6 Ų | 46.6 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.7 | -38.6 | 178 | -174.1 | 154.7 | 149 | -82.4 | -10.2 | 111.9 | E195 F260 P261 H264 P265 Q270 A271 | E195-R267 IonicContact OE1-NH1 3.26Å; E195-R267 IonicContact OE2-CZ 2.95Å; E195-R267 IonicContact OE2-NH1 3.53Å; E195-R267 PolarHBondContact OE2-NH1 2.71Å; E195-R267 IonicContact OE2-NH2 2.7Å; E195-R267 PolarHBondContact OE2-NH2 2.69Å; F260-R267 HydrophobicContact CB-CB 4Å; F260-R267 WeakPolarHBondContact O-CD 3.48Å; P261-R267 PolarHBondContact O-NH1 2.78Å; P261-R267 VanDerWaalsContact O-NH1 3.14Å; H264-R267 HydrophobicContact CB-CB 4.31Å; H264-R267 WeakPolarHBondContact O-CB 3.4Å; H264-R267 PolarHBondContact O-N 3.46Å; P265-R267 VanDerWaalsContact C-N 3.28Å; P265-R267 PolarHBondContact O-N 2.82Å; R267-Q270 PolarHBondContact O-N 2.73Å; R267-A271 PolarHBondContact O-N 3.09Å |
| 268 | F | 86.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 172 | -174 | -90.3 | 0 | 0 | 0 | 111.7 | M158 I160 L170 H264 P265 A271 L272 H325 A327 V329 | M158-F268 HydrophobicContact CB-CE1 4.18Å; M158-F268 HydrophobicContact CB-CE2 4.32Å; M158-F268 HydrophobicContact CB-CZ 3.58Å; M158-F268 WeakPolarHBondContact O-CE2 3.26Å; I160-F268 HydrophobicContact CG1-CE2 3.98Å; I160-F268 HydrophobicContact CG1-CZ 4.22Å; L170-F268 HydrophobicContact CD1-CE1 4.49Å; L170-F268 HydrophobicContact CD1-CZ 3.88Å; H264-F268 PolarHBondContact O-N 3.26Å; P265-F268 WeakPolarHBondContact O-CB 3.38Å; P265-F268 PolarHBondContact O-N 3.02Å; F268-A271 WeakPolarHBondContact O-CB 3.42Å; F268-A271 PolarHBondContact O-N 3.5Å; F268-L272 HydrophobicContact CD1-CD1 3.78Å; F268-L272 HydrophobicContact CD1-CG 4.47Å; F268-L272 HydrophobicContact CE1-CD1 3.37Å; F268-L272 HydrophobicContact CE1-CG 4.27Å; F268-L272 HydrophobicContact CZ-CD1 4.12Å; F268-L272 PolarHBondContact O-N 3.48Å; F268-H325 HydrophobicContact CD2-CB 3.74Å; F268-H325 HydrophobicContact CE2-CB 4.21Å; F268-A327 HydrophobicContact CB-CB 3.69Å; F268-A327 HydrophobicContact CD2-CB 4.11Å; F268-A327 HydrophobicContact CG-CB 4.03Å; F268-V329 HydrophobicContact CD1-CG1 3.94Å; F268-V329 HydrophobicContact CE1-CG1 3.62Å; F268-V329 HydrophobicContact CZ-CG1 4.33Å |
| 269 | L | 80.8 | Confident | 78 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.7 | -39.8 | 177.4 | -66.5 | 164.6 | 0 | 0 | 0 | 112.6 | F220 P265 I266 A271 L272 A273 G353 L354 | F220-L269 HydrophobicContact CE2-CD2 3.92Å; F220-L269 HydrophobicContact CZ-CD2 3.86Å; P265-L269 VanDerWaalsContact O-CG 3.3Å; P265-L269 WeakPolarHBondContact O-CG 3.29Å; P265-L269 PolarHBondContact O-N 3.31Å; I266-L269 PolarHBondContact O-N 3.31Å; L269-A271 VanDerWaalsContact C-N 3.3Å; L269-A271 PolarHBondContact O-N 3.11Å; L269-L272 PolarHBondContact O-N 3.16Å; L269-A273 WeakPolarHBondContact O-CB 3.46Å; L269-A273 PolarHBondContact O-N 3.46Å; L269-G353 WeakPolarHBondContact CD1-O 3.47Å; L269-L354 HydrophobicContact CD1-CD2 3.93Å; L269-L354 HydrophobicContact CD1-CG 4.33Å |
| 270 | Q | 82.7 | Confident | 77.8 | Confident | 97 Ų | 97 | 39.7 Ų | 39.7 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.6 | -36.1 | 172.1 | -79.1 | 174.3 | -14.7 | 0 | 0 | 112.4 | I266 R267 Q274 | I266-Q270 HydrophobicContact CG2-CG 4.27Å; I266-Q270 VanDerWaalsContact O-CB 3.32Å; I266-Q270 WeakPolarHBondContact O-CB 3.35Å; I266-Q270 WeakPolarHBondContact O-CG 3.28Å; I266-Q270 PolarHBondContact O-N 3.47Å; R267-Q270 PolarHBondContact O-N 2.73Å; Q270-Q274 WeakPolarHBondContact O-CG 3.32Å; Q270-Q274 PolarHBondContact O-NE2 2.98Å |
| 271 | A | 83.8 | Confident | 77.3 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I160 R267 F268 L269 Q274 Y275 H325 | I160-A271 HydrophobicContact CD1-CB 4.04Å; R267-A271 PolarHBondContact O-N 3.09Å; F268-A271 WeakPolarHBondContact O-CB 3.42Å; F268-A271 PolarHBondContact O-N 3.5Å; L269-A271 VanDerWaalsContact C-N 3.3Å; L269-A271 PolarHBondContact O-N 3.11Å; A271-Q274 WeakPolarHBondContact O-CB 3.33Å; A271-Q274 PolarHBondContact O-N 3.17Å; A271-Y275 WeakPolarHBondContact O-CE2 3.38Å; A271-H325 WeakPolarHBondContact CB-CD2 3Å; A271-H325 WeakPolarHBondContact CB-NE2 3.36Å |
| 272 | L | 81.9 | Confident | 76.2 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.8 | -35.5 | 178.9 | -75.2 | 178.1 | 0 | 0 | 0 | 113.9 | I160 L170 F220 F268 L269 Q274 Y275 T278 L299 | I160-L272 HydrophobicContact CD1-CD2 3.6Å; I160-L272 HydrophobicContact CD1-CG 3.89Å; I160-L272 HydrophobicContact CG1-CD2 4.02Å; L170-L272 HydrophobicContact CD1-CD2 4.41Å; L170-L272 HydrophobicContact CD2-CD2 4.43Å; F220-L272 HydrophobicContact CE1-CD1 3.76Å; F220-L272 HydrophobicContact CZ-CD1 3.5Å; F268-L272 HydrophobicContact CD1-CD1 3.78Å; F268-L272 HydrophobicContact CD1-CG 4.47Å; F268-L272 HydrophobicContact CE1-CD1 3.37Å; F268-L272 HydrophobicContact CE1-CG 4.27Å; F268-L272 HydrophobicContact CZ-CD1 4.12Å; F268-L272 PolarHBondContact O-N 3.48Å; L269-L272 PolarHBondContact O-N 3.16Å; L272-Q274 PolarHBondContact O-N 3.32Å; L272-Y275 HydrophobicContact CD2-CD2 4.47Å; L272-Y275 WeakPolarHBondContact O-CD2 3.23Å; L272-Y275 PolarHBondContact O-N 2.98Å; L272-T278 HydrophobicContact CB-CG2 4.31Å; L272-T278 WeakPolarHBondContact O-CB 3.43Å; L272-T278 WeakPolarHBondContact O-CG2 3.49Å; L272-T278 PolarHBondContact O-OG1 2.91Å; L272-L299 HydrophobicContact CD2-CD1 3.6Å; L272-L299 HydrophobicContact CD2-CD2 4.12Å |
| 273 | A | 78.3 | Confident | 74.8 | Confident | 43 Ų | 43 | 42.7 Ų | 42.7 | 36% | 0.355 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -15 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L269 | L269-A273 WeakPolarHBondContact O-CB 3.46Å; L269-A273 PolarHBondContact O-N 3.46Å |
| 274 | Q | 80.7 | Confident | 73.5 | Confident | 144 Ų | 144 | 45.8 Ų | 45.8 | 67% | 0.673 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -18.9 | -179.4 | -64 | 168.5 | 39.3 | 0 | 0 | 113.6 | Q270 A271 L272 | Q270-Q274 WeakPolarHBondContact O-CG 3.32Å; Q270-Q274 PolarHBondContact O-NE2 2.98Å; A271-Q274 WeakPolarHBondContact O-CB 3.33Å; A271-Q274 PolarHBondContact O-N 3.17Å; L272-Q274 PolarHBondContact O-N 3.32Å |
| 275 | Y | 79.5 | Confident | 71.9 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -88.6 | 135.1 | -174.8 | -58.4 | -75.7 | 0 | 0 | 0 | 112.7 | R168 A271 L272 I277 T278 L299 V300 | R168-Y275 WeakPolarHBondContact CD-OH 3.44Å; R168-Y275 VanDerWaalsContact CZ-OH 3.23Å; R168-Y275 PolarHBondContact NE-OH 2.83Å; R168-Y275 PolarHBondContact NH1-OH 2.91Å; A271-Y275 WeakPolarHBondContact O-CE2 3.38Å; L272-Y275 HydrophobicContact CD2-CD2 4.47Å; L272-Y275 WeakPolarHBondContact O-CD2 3.23Å; L272-Y275 PolarHBondContact O-N 2.98Å; Y275-I277 PolarHBondContact O-N 2.81Å; Y275-T278 PolarHBondContact O-N 2.9Å; Y275-T278 PolarHBondContact O-OG1 3.32Å; Y275-L299 HydrophobicContact CD1-CB 3.93Å; Y275-L299 HydrophobicContact CD2-CB 4.2Å; Y275-L299 HydrophobicContact CD2-CD1 3.98Å; Y275-L299 HydrophobicContact CD2-CD2 4.27Å; Y275-L299 HydrophobicContact CD2-CG 4.39Å; Y275-L299 HydrophobicContact CE1-CB 4.16Å; Y275-L299 HydrophobicContact CE2-CB 4.42Å; Y275-L299 HydrophobicContact CE2-CD1 3.85Å; Y275-L299 HydrophobicContact CG-CB 3.97Å; Y275-L299 HydrophobicContact CG-CD2 4.43Å; Y275-V300 HydrophobicContact CD1-CG2 4.07Å; Y275-V300 HydrophobicContact CE1-CG2 3.78Å |
| 276 | P | 69.6 | Low | 70.3 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.9 | -27.4 | 176.9 | -27.3 | 35.4 | 0 | 0 | 0 | 114.4 | K279 T280 | P276-K279 PolarHBondContact O-N 3.33Å; P276-T280 PolarHBondContact O-N 3Å; P276-T280 PolarHBondContact O-OG1 2.88Å |
| 277 | I | 68.6 | Low | 68.8 | Low | 13 Ų | 13 | 52.3 Ų | 52.3 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68 | -33.8 | 177.7 | -157.4 | 175.8 | 0 | 0 | 0 | 112.3 | Y275 T280 F281 I297 L299 | Y275-I277 PolarHBondContact O-N 2.81Å; I277-T280 WeakPolarHBondContact O-CA 3.46Å; I277-T280 VanDerWaalsContact O-CB 3.26Å; I277-T280 WeakPolarHBondContact O-CB 3.46Å; I277-T280 PolarHBondContact O-N 3.36Å; I277-T280 VanDerWaalsContact O-N 3.1Å; I277-F281 HydrophobicContact CB-CE2 4.39Å; I277-F281 HydrophobicContact CD1-CE1 4.42Å; I277-F281 HydrophobicContact CD1-CE2 3.97Å; I277-F281 HydrophobicContact CD1-CZ 3.61Å; I277-F281 HydrophobicContact CG1-CD2 4.38Å; I277-F281 HydrophobicContact CG1-CE1 4.14Å; I277-F281 HydrophobicContact CG1-CE2 3.72Å; I277-F281 HydrophobicContact CG1-CZ 3.58Å; I277-F281 HydrophobicContact CG2-CE2 4.06Å; I277-F281 WeakPolarHBondContact O-CD2 3.5Å; I277-F281 VanDerWaalsContact O-CG 3.31Å; I277-F281 WeakPolarHBondContact O-CG 3.43Å; I277-F281 PolarHBondContact O-N 3.18Å; I277-I297 HydrophobicContact CD1-CG2 4.04Å; I277-L299 HydrophobicContact CG2-CD2 3.8Å |
| 278 | T | 67.1 | Low | 67.2 | Low | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.5 | -30.6 | 179.2 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | L221 L272 Y275 T280 F281 A282 | L221-T278 WeakPolarHBondContact CD1-O 3.45Å; L272-T278 HydrophobicContact CB-CG2 4.31Å; L272-T278 WeakPolarHBondContact O-CB 3.43Å; L272-T278 WeakPolarHBondContact O-CG2 3.49Å; L272-T278 PolarHBondContact O-OG1 2.91Å; Y275-T278 PolarHBondContact O-N 2.9Å; Y275-T278 PolarHBondContact O-OG1 3.32Å; T278-T280 PolarHBondContact O-N 2.93Å; T278-F281 HydrophobicContact CG2-CD2 4.27Å; T278-F281 PolarHBondContact O-N 2.91Å; T278-A282 PolarHBondContact O-N 3.28Å |
| 279 | K | 65.1 | Low | 65.5 | Low | 146 Ų | 146 | 49.9 Ų | 49.9 | 64% | 0.635 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60 | -35.3 | 166 | -62.2 | -168.2 | 178 | -170.2 | 0 | 112.5 | P276 H283 | P276-K279 PolarHBondContact O-N 3.33Å; K279-H283 PolarHBondContact O-CD2 3.42Å; K279-H283 VanDerWaalsContact O-CD2 3.29Å |
| 280 | T | 59.1 | Low | 63.9 | Low | 59 Ų | 59 | 52.2 Ų | 52.2 | 36% | 0.362 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 174.6 | -48.2 | 0 | 0 | 0 | 0 | 111 | P276 I277 T278 H283 F477 | P276-T280 PolarHBondContact O-N 3Å; P276-T280 PolarHBondContact O-OG1 2.88Å; I277-T280 WeakPolarHBondContact O-CA 3.46Å; I277-T280 VanDerWaalsContact O-CB 3.26Å; I277-T280 WeakPolarHBondContact O-CB 3.46Å; I277-T280 PolarHBondContact O-N 3.36Å; I277-T280 VanDerWaalsContact O-N 3.1Å; T278-T280 PolarHBondContact O-N 2.93Å; T280-H283 PolarHBondContact O-N 2.9Å; T280-F477 HydrophobicContact CG2-CB 4.24Å |
| 281 | F | 61.5 | Low | 62.4 | Low | 12 Ų | 12 | 48.9 Ų | 48.9 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -32.5 | 177.6 | -66.9 | -31 | 0 | 0 | 0 | 113.7 | L221 I277 T278 H283 H284 I288 L291 I297 F477 | L221-F281 HydrophobicContact CD1-CB 3.53Å; I277-F281 HydrophobicContact CB-CE2 4.39Å; I277-F281 HydrophobicContact CD1-CE1 4.42Å; I277-F281 HydrophobicContact CD1-CE2 3.97Å; I277-F281 HydrophobicContact CD1-CZ 3.61Å; I277-F281 HydrophobicContact CG1-CD2 4.38Å; I277-F281 HydrophobicContact CG1-CE1 4.14Å; I277-F281 HydrophobicContact CG1-CE2 3.72Å; I277-F281 HydrophobicContact CG1-CZ 3.58Å; I277-F281 HydrophobicContact CG2-CE2 4.06Å; I277-F281 WeakPolarHBondContact O-CD2 3.5Å; I277-F281 VanDerWaalsContact O-CG 3.31Å; I277-F281 WeakPolarHBondContact O-CG 3.43Å; I277-F281 PolarHBondContact O-N 3.18Å; T278-F281 HydrophobicContact CG2-CD2 4.27Å; T278-F281 PolarHBondContact O-N 2.91Å; F281-H283 PolarHBondContact O-N 2.87Å; F281-H284 CarbonylContact O-C 3.53Å; F281-H284 PolarHBondContact O-N 3.32Å; F281-I288 HydrophobicContact CB-CD1 3.68Å; F281-I288 HydrophobicContact CB-CG1 3.73Å; F281-I288 HydrophobicContact CD1-CG1 4.22Å; F281-I288 HydrophobicContact CG-CD1 4.39Å; F281-I288 HydrophobicContact CG-CG1 3.99Å; F281-L291 HydrophobicContact CD1-CD1 4.44Å; F281-L291 HydrophobicContact CE1-CD1 3.84Å; F281-I297 HydrophobicContact CE2-CD1 4.19Å; F281-I297 HydrophobicContact CE2-CG2 3.86Å; F281-I297 HydrophobicContact CZ-CD1 3.92Å; F281-I297 HydrophobicContact CZ-CG2 3.82Å; F281-F477 HydrophobicContact CE1-CD2 4.08Å; F281-F477 HydrophobicContact CE1-CE2 4.15Å |
| 282 | A | 57.3 | Low | 61.1 | Low | 18 Ų | 18 | 49.6 Ų | 49.6 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -26.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L221 L223 T278 | L221-A282 HydrophobicContact CB-CB 3.96Å; L221-A282 HydrophobicContact CD1-CB 4.47Å; L223-A282 HydrophobicContact CD1-CB 4.41Å; T278-A282 PolarHBondContact O-N 3.28Å |
| 283 | H | 51.3 | Low | 59.8 | Low | 121 Ų | 121 | 53 Ų | 53 | 56% | 0.56 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.4 | 174.2 | -62 | -57.2 | 0 | 0 | 0 | 113.6 | K279 T280 F281 | K279-H283 PolarHBondContact O-CD2 3.42Å; K279-H283 VanDerWaalsContact O-CD2 3.29Å; T280-H283 PolarHBondContact O-N 2.9Å; F281-H283 PolarHBondContact O-N 2.87Å |
| 284 | H | 54.1 | Low | 58.6 | Low | 67 Ų | 67 | 59.4 Ų | 59.4 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | trans | -139.4 | 56.3 | -172.3 | -67.1 | -23.4 | 0 | 0 | 0 | 112.7 | F281 E286 Q287 | F281-H284 CarbonylContact O-C 3.53Å; F281-H284 PolarHBondContact O-N 3.32Å; H284-E286 PolarHBondContact O-N 2.79Å; H284-Q287 HydrophobicContact CB-CB 4.24Å; H284-Q287 HydrophobicContact CB-CG 3.99Å; H284-Q287 PolarHBondContact CD2-NE2 3.26Å; H284-Q287 WeakPolarHBondContact O-CB 3.2Å; H284-Q287 PolarHBondContact O-N 3.1Å | ||
| 285 | P | 51.5 | Low | 57.5 | Low | 29 Ų | 29 | 54.9 Ų | 54.9 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | -167.7 | 26.9 | -36 | 0 | 0 | 0 | 113.5 | D219 Q287 I288 | D219-P285 HydrophobicContact CB-CB 4.17Å; D219-P285 HydrophobicContact CB-CG 4.38Å; D219-P285 WeakPolarHBondContact OD1-CB 3.42Å; D219-P285 WeakPolarHBondContact OD1-CG 3.46Å; P285-Q287 PolarHBondContact O-N 2.94Å; P285-Q287 VanDerWaalsContact O-N 3.07Å; P285-I288 HydrophobicContact CB-CD1 4.17Å; P285-I288 VanDerWaalsContact O-CB 3.23Å; P285-I288 WeakPolarHBondContact O-CB 3.46Å; P285-I288 VanDerWaalsContact O-CG1 3.27Å; P285-I288 WeakPolarHBondContact O-CG1 3.37Å; P285-I288 PolarHBondContact O-N 3.39Å |
| 286 | E | 48.9 | Very low | 56.9 | Low | 94 Ų | 94 | 56 Ų | 56 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -51.5 | -33.9 | 170.6 | -65.3 | -169.4 | -132.9 | 0 | 0 | 114.1 | K217 D219 H284 I288 T289 | K217-E286 HydrophobicContact CD-CG 3.95Å; K217-E286 WeakPolarHBondContact CE-OE1 3.36Å; K217-E286 WeakPolarHBondContact CE-OE2 3.38Å; K217-E286 HydrophobicContact CG-CG 4.32Å; K217-E286 IonicContact NZ-OE1 3.44Å; K217-E286 PolarHBondContact NZ-OE1 3.37Å; K217-E286 IonicContact NZ-OE2 3.32Å; K217-E286 PolarHBondContact NZ-OE2 2.77Å; K217-E286 VanDerWaalsContact NZ-OE2 3.13Å; D219-E286 WeakPolarHBondContact OD1-CG 3.47Å; D219-E286 PolarHBondContact OD1-N 2.88Å; H284-E286 PolarHBondContact O-N 2.79Å; E286-I288 VanDerWaalsContact C-N 3.32Å; E286-I288 PolarHBondContact O-N 3.45Å; E286-T289 WeakPolarHBondContact O-CB 3.35Å; E286-T289 PolarHBondContact O-N 3.18Å; E286-T289 PolarHBondContact O-OG1 2.73Å |
| 287 | Q | 51.2 | Low | 57.3 | Low | 68 Ų | 68 | 52.6 Ų | 52.6 | 32% | 0.318 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.5 | -29.9 | 179.9 | -59.8 | -179.2 | 27.6 | 0 | 0 | 111.7 | H284 P285 T289 C290 L291 | H284-Q287 HydrophobicContact CB-CB 4.24Å; H284-Q287 HydrophobicContact CB-CG 3.99Å; H284-Q287 PolarHBondContact CD2-NE2 3.26Å; H284-Q287 WeakPolarHBondContact O-CB 3.2Å; H284-Q287 PolarHBondContact O-N 3.1Å; P285-Q287 PolarHBondContact O-N 2.94Å; P285-Q287 VanDerWaalsContact O-N 3.07Å; Q287-T289 VanDerWaalsContact C-N 3.29Å; Q287-T289 PolarHBondContact O-N 3.01Å; Q287-C290 PolarHBondContact O-N 3.18Å; Q287-L291 HydrophobicContact CB-CD1 4.43Å; Q287-L291 WeakPolarHBondContact O-CD1 3.34Å; Q287-L291 VanDerWaalsContact O-CG 3.22Å; Q287-L291 WeakPolarHBondContact O-CG 3.48Å; Q287-L291 PolarHBondContact O-N 2.81Å |
| 288 | I | 52.3 | Low | 58.1 | Low | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 175.5 | -47.5 | 165.8 | 0 | 0 | 0 | 109.6 | F220 L221 F281 P285 E286 C290 L291 L292 | F220-I288 HydrophobicContact CB-CD1 3.84Å; F220-I288 HydrophobicContact CD1-CD1 4.24Å; F220-I288 HydrophobicContact CD1-CG2 4.49Å; L221-I288 HydrophobicContact CB-CD1 4.34Å; L221-I288 HydrophobicContact CD1-CD1 3.87Å; L221-I288 HydrophobicContact CG-CD1 4.15Å; F281-I288 HydrophobicContact CB-CD1 3.68Å; F281-I288 HydrophobicContact CB-CG1 3.73Å; F281-I288 HydrophobicContact CD1-CG1 4.22Å; F281-I288 HydrophobicContact CG-CD1 4.39Å; F281-I288 HydrophobicContact CG-CG1 3.99Å; P285-I288 HydrophobicContact CB-CD1 4.17Å; P285-I288 VanDerWaalsContact O-CB 3.23Å; P285-I288 WeakPolarHBondContact O-CB 3.46Å; P285-I288 VanDerWaalsContact O-CG1 3.27Å; P285-I288 WeakPolarHBondContact O-CG1 3.37Å; P285-I288 PolarHBondContact O-N 3.39Å; E286-I288 VanDerWaalsContact C-N 3.32Å; E286-I288 PolarHBondContact O-N 3.45Å; I288-C290 PolarHBondContact O-N 2.92Å; I288-C290 VanDerWaalsContact O-N 3.17Å; I288-L291 PolarHBondContact O-N 2.77Å; I288-L291 VanDerWaalsContact O-N 3.09Å; I288-L292 HydrophobicContact CG2-CD1 3.84Å; I288-L292 HydrophobicContact CG2-CG 4.13Å; I288-L292 PolarHBondContact O-N 2.81Å |
| 289 | T | 49.9 | Very low | 58.9 | Low | 11 Ų | 11 | 51.9 Ų | 51.9 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -45.3 | -47.9 | 172 | -34.9 | 0 | 0 | 0 | 0 | 111.9 | F218 E286 Q287 K293 | F218-T289 HydrophobicContact CB-CG2 3.52Å; F218-T289 VanDerWaalsContact CB-OG1 3.27Å; F218-T289 WeakPolarHBondContact CB-OG1 3.46Å; F218-T289 HydrophobicContact CG-CG2 4.47Å; F218-T289 PolarHBondContact N-OG1 3.29Å; E286-T289 WeakPolarHBondContact O-CB 3.35Å; E286-T289 PolarHBondContact O-N 3.18Å; E286-T289 PolarHBondContact O-OG1 2.73Å; Q287-T289 VanDerWaalsContact C-N 3.29Å; Q287-T289 PolarHBondContact O-N 3.01Å; T289-K293 HydrophobicContact CG2-CD 4.21Å; T289-K293 WeakPolarHBondContact O-CB 3.15Å; T289-K293 VanDerWaalsContact O-CD 3.31Å; T289-K293 WeakPolarHBondContact O-CD 3.38Å; T289-K293 WeakPolarHBondContact O-CG 3.3Å; T289-K293 PolarHBondContact O-N 2.98Å |
| 290 | C | 46.7 | Very low | 59.9 | Low | 72 Ų | 72 | 46.7 Ų | 46.7 | 49% | 0.486 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -83.9 | -18.8 | -172.1 | -60.3 | 0 | 0 | 0 | 0 | 113.1 | Q287 I288 R294 | Q287-C290 PolarHBondContact O-N 3.18Å; I288-C290 PolarHBondContact O-N 2.92Å; I288-C290 VanDerWaalsContact O-N 3.17Å; C290-R294 WeakPolarHBondContact O-CB 3.5Å; C290-R294 WeakPolarHBondContact O-CD 3.24Å; C290-R294 WeakPolarHBondContact O-CG 3.29Å |
| 291 | L | 51.1 | Low | 61.1 | Low | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -85.3 | -48 | 176.1 | -68.1 | 159.1 | 0 | 0 | 0 | 110.9 | F281 Q287 I288 K293 R294 T295 I297 F477 | F281-L291 HydrophobicContact CD1-CD1 4.44Å; F281-L291 HydrophobicContact CE1-CD1 3.84Å; Q287-L291 HydrophobicContact CB-CD1 4.43Å; Q287-L291 WeakPolarHBondContact O-CD1 3.34Å; Q287-L291 VanDerWaalsContact O-CG 3.22Å; Q287-L291 WeakPolarHBondContact O-CG 3.48Å; Q287-L291 PolarHBondContact O-N 2.81Å; I288-L291 PolarHBondContact O-N 2.77Å; I288-L291 VanDerWaalsContact O-N 3.09Å; L291-K293 PolarHBondContact O-N 3.49Å; L291-R294 PolarHBondContact O-N 3.19Å; L291-T295 PolarHBondContact O-N 3.2Å; L291-T295 VanDerWaalsContact O-O 3.08Å; L291-T295 PolarHBondContact O-OG1 3.47Å; L291-I297 HydrophobicContact CB-CD1 4.1Å; L291-F477 HydrophobicContact CD1-CE2 3.41Å; L291-F477 VanDerWaalsContact CD1-CE2 3.41Å; L291-F477 HydrophobicContact CD1-CZ 3.72Å; L291-F477 HydrophobicContact CD2-CE2 3.79Å; L291-F477 HydrophobicContact CD2-CZ 4.21Å; L291-F477 HydrophobicContact CG-CE2 4.24Å |
| 292 | L | 57.3 | Low | 62.3 | Low | 20 Ų | 20 | 45.6 Ų | 45.6 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -31.7 | 174.6 | -72.4 | 175.6 | 0 | 0 | 0 | 111.9 | M158 L170 S209 F218 I288 R294 I297 | M158-L292 HydrophobicContact CE-CD1 3.94Å; M158-L292 HydrophobicContact CE-CD2 3.74Å; M158-L292 HydrophobicContact CE-CG 4.48Å; M158-L292 HydrophobicContact SD-CD1 4.29Å; L170-L292 HydrophobicContact CD2-CD2 4.15Å; L170-L292 HydrophobicContact CG-CD2 4.35Å; S209-L292 VanDerWaalsContact CB-O 3.23Å; S209-L292 WeakPolarHBondContact CB-O 3.38Å; S209-L292 PolarHBondContact OG-O 2.93Å; F218-L292 HydrophobicContact CE1-CD1 4.1Å; I288-L292 HydrophobicContact CG2-CD1 3.84Å; I288-L292 HydrophobicContact CG2-CG 4.13Å; I288-L292 PolarHBondContact O-N 2.81Å; L292-R294 VanDerWaalsContact C-N 3.27Å; L292-R294 PolarHBondContact O-N 3.13Å; L292-I297 HydrophobicContact CD2-CD1 3.57Å; L292-I297 HydrophobicContact CD2-CG1 4.09Å; L292-I297 HydrophobicContact CG-CD1 3.92Å |
| 293 | K | 55.6 | Low | 63.4 | Low | 72 Ų | 72 | 51.2 Ų | 51.2 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 0.3 | 173.1 | -74.2 | 172.7 | -176.4 | 174.4 | 0 | 115.1 | M210 T289 L291 | M210-K293 HydrophobicContact CB-CG 4.37Å; M210-K293 HydrophobicContact CG-CG 4.43Å; M210-K293 HydrophobicContact SD-CB 4.33Å; M210-K293 HydrophobicContact SD-CD 4.49Å; M210-K293 HydrophobicContact SD-CG 3.4Å; M210-K293 WeakPolarHBondContact SD-CG 3.48Å; T289-K293 HydrophobicContact CG2-CD 4.21Å; T289-K293 WeakPolarHBondContact O-CB 3.15Å; T289-K293 VanDerWaalsContact O-CD 3.31Å; T289-K293 WeakPolarHBondContact O-CD 3.38Å; T289-K293 WeakPolarHBondContact O-CG 3.3Å; T289-K293 PolarHBondContact O-N 2.98Å; L291-K293 PolarHBondContact O-N 3.49Å |
| 294 | R | 53.1 | Low | 64.7 | Low | 178 Ų | 178 | 48 Ų | 48 | 67% | 0.672 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.9 | -24.6 | -169.8 | -68.5 | -174.4 | 175.1 | 175.7 | -0.3 | 116.9 | S209 C290 L291 L292 | S209-R294 PolarHBondContact OG-N 2.83Å; C290-R294 WeakPolarHBondContact O-CB 3.5Å; C290-R294 WeakPolarHBondContact O-CD 3.24Å; C290-R294 WeakPolarHBondContact O-CG 3.29Å; L291-R294 PolarHBondContact O-N 3.19Å; L292-R294 VanDerWaalsContact C-N 3.27Å; L292-R294 PolarHBondContact O-N 3.13Å |
| 295 | T | 56.7 | Low | 66.1 | Low | 48 Ų | 48 | 46.4 Ų | 46.4 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -149.7 | 119.4 | -169.5 | 44.6 | 0 | 0 | 0 | 0 | 110.7 | L291 I297 | L291-T295 PolarHBondContact O-N 3.2Å; L291-T295 VanDerWaalsContact O-O 3.08Å; L291-T295 PolarHBondContact O-OG1 3.47Å; T295-I297 WeakPolarHBondContact O-CG1 3.35Å; T295-I297 PolarHBondContact O-N 3.44Å |
| 296 | P | 67.4 | Low | 67.5 | Low | 39 Ų | 39 | 46.3 Ų | 46.3 | 25% | 0.253 | 25% | 0.249 | S | C | . | . | trans | -60.4 | 128.2 | 173.2 | 23.6 | -33.4 | 0 | 0 | 0 | 111 | L169 L310 | L169-P296 HydrophobicContact CD1-CB 3.78Å; L169-P296 HydrophobicContact CD2-CB 4.46Å; P296-L310 HydrophobicContact CB-CD2 3.85Å; P296-L310 HydrophobicContact CG-CD2 3.43Å; P296-L310 VanDerWaalsContact CG-CD2 3.43Å; P296-L310 HydrophobicContact CG-CG 4.23Å | ||
| 297 | I | 77.8 | Confident | 68.7 | Low | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 109.2 | -169.3 | -58.3 | -176.1 | 0 | 0 | 0 | 110.6 | L169 L170 I277 F281 L291 L292 T295 L299 | L169-I297 WeakPolarHBondContact CD1-O 3.4Å; L170-I297 HydrophobicContact CB-CB 4.41Å; L170-I297 PolarHBondContact N-O 3.21Å; I277-I297 HydrophobicContact CD1-CG2 4.04Å; F281-I297 HydrophobicContact CE2-CD1 4.19Å; F281-I297 HydrophobicContact CE2-CG2 3.86Å; F281-I297 HydrophobicContact CZ-CD1 3.92Å; F281-I297 HydrophobicContact CZ-CG2 3.82Å; L291-I297 HydrophobicContact CB-CD1 4.1Å; L292-I297 HydrophobicContact CD2-CD1 3.57Å; L292-I297 HydrophobicContact CD2-CG1 4.09Å; L292-I297 HydrophobicContact CG-CD1 3.92Å; T295-I297 WeakPolarHBondContact O-CG1 3.35Å; T295-I297 PolarHBondContact O-N 3.44Å; I297-L299 HydrophobicContact CG2-CD2 4.47Å; I297-L299 PolarHBondContact O-N 2.96Å |
| 298 | F | 84.6 | Confident | 69.9 | Low | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 115.3 | 170.8 | -78.5 | -93.8 | 0 | 0 | 0 | 110.7 | F163 A167 R168 L169 E301 H305 A307 W309 L310 | F163-F298 HydrophobicContact CE2-CE1 4.25Å; A167-F298 HydrophobicContact CB-CE1 4.42Å; R168-F298 CarbonylContact O-C 3.53Å; R168-F298 WeakPolarHBondContact O-CA 3.38Å; L169-F298 HydrophobicContact CB-CD1 4.43Å; L169-F298 HydrophobicContact CB-CE1 4.39Å; L169-F298 HydrophobicContact CD1-CD1 4.26Å; L169-F298 HydrophobicContact CD1-CD2 3.66Å; L169-F298 HydrophobicContact CD1-CE1 4.31Å; L169-F298 HydrophobicContact CD1-CE2 3.73Å; L169-F298 HydrophobicContact CD1-CG 3.94Å; L169-F298 HydrophobicContact CD1-CZ 4.06Å; F298-E301 HydrophobicContact CB-CG 3.54Å; F298-E301 HydrophobicContact CD1-CG 4.37Å; F298-E301 HydrophobicContact CG-CG 4.05Å; F298-H305 HydrophobicContact CE1-CB 4.29Å; F298-A307 HydrophobicContact CD2-CB 4.11Å; F298-W309 HydrophobicContact CZ-CE3 4.32Å; F298-W309 HydrophobicContact CZ-CZ3 4.3Å; F298-L310 HydrophobicContact CE2-CB 4.06Å; F298-L310 HydrophobicContact CE2-CD2 3.74Å; F298-L310 HydrophobicContact CZ-CB 4.25Å; F298-L310 HydrophobicContact CZ-CD2 4.02Å |
| 299 | L | 85 | Confident | 71.3 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -32.7 | 171.8 | -57.4 | 175.1 | 0 | 0 | 0 | 111.2 | I160 R168 L170 L272 Y275 I277 I297 | I160-L299 HydrophobicContact CD1-CD1 4.25Å; I160-L299 HydrophobicContact CG1-CD1 4.17Å; I160-L299 HydrophobicContact CG2-CD1 3.96Å; R168-L299 HydrophobicContact CB-CB 4.12Å; R168-L299 PolarHBondContact O-N 3.47Å; L170-L299 HydrophobicContact CB-CD1 4.26Å; L170-L299 HydrophobicContact CB-CD2 4.44Å; L170-L299 HydrophobicContact CB-CG 4.25Å; L272-L299 HydrophobicContact CD2-CD1 3.6Å; L272-L299 HydrophobicContact CD2-CD2 4.12Å; Y275-L299 HydrophobicContact CD1-CB 3.93Å; Y275-L299 HydrophobicContact CD2-CB 4.2Å; Y275-L299 HydrophobicContact CD2-CD1 3.98Å; Y275-L299 HydrophobicContact CD2-CD2 4.27Å; Y275-L299 HydrophobicContact CD2-CG 4.39Å; Y275-L299 HydrophobicContact CE1-CB 4.16Å; Y275-L299 HydrophobicContact CE2-CB 4.42Å; Y275-L299 HydrophobicContact CE2-CD1 3.85Å; Y275-L299 HydrophobicContact CG-CB 3.97Å; Y275-L299 HydrophobicContact CG-CD2 4.43Å; I277-L299 HydrophobicContact CG2-CD2 3.8Å; I297-L299 HydrophobicContact CG2-CD2 4.47Å; I297-L299 PolarHBondContact O-N 2.96Å |
| 300 | V | 86.1 | Confident | 72.8 | Confident | 36 Ų | 36 | 42 Ų | 42 | 22% | 0.218 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 124.8 | 172.1 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | A167 R168 Y275 | A167-V300 WeakPolarHBondContact CA-O 3.4Å; R168-V300 HydrophobicContact CB-CB 4Å; R168-V300 HydrophobicContact CB-CG2 4.12Å; R168-V300 HydrophobicContact CG-CB 4.4Å; R168-V300 HydrophobicContact CG-CG2 4.32Å; R168-V300 PolarHBondContact N-O 3.36Å; R168-V300 PolarHBondContact O-N 2.96Å; R168-V300 VanDerWaalsContact O-N 3.16Å; Y275-V300 HydrophobicContact CD1-CG2 4.07Å; Y275-V300 HydrophobicContact CE1-CG2 3.78Å |
| 301 | E | 83.3 | Confident | 74 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | trans | -101.7 | 141.5 | 176.3 | -68.7 | -170.8 | 121.7 | 0 | 0 | 111.3 | F298 N306 A307 T475 Q480 | F298-E301 HydrophobicContact CB-CG 3.54Å; F298-E301 HydrophobicContact CD1-CG 4.37Å; F298-E301 HydrophobicContact CG-CG 4.05Å; E301-N306 HydrophobicContact CB-CB 3.9Å; E301-N306 HydrophobicContact CG-CB 3.94Å; E301-N306 WeakPolarHBondContact OE1-CB 3.36Å; E301-A307 WeakPolarHBondContact OE1-CB 3.34Å; E301-A307 PolarHBondContact OE1-N 2.84Å; E301-T475 WeakPolarHBondContact OE2-CB 3.38Å; E301-T475 PolarHBondContact OE2-N 3.49Å; E301-T475 PolarHBondContact OE2-OG1 2.61Å; E301-Q480 PolarHBondContact OE1-NE2 3.45Å | ||
| 302 | T | 86 | Confident | 75.1 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | trans | -116.9 | 170.9 | 172.2 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | D165 A167 A304 H305 N306 | D165-T302 WeakPolarHBondContact O-CG2 3.37Å; D165-T302 VanDerWaalsContact OD2-CB 3.28Å; D165-T302 WeakPolarHBondContact OD2-CB 3.33Å; D165-T302 PolarHBondContact OD2-OG1 3.13Å; A167-T302 HydrophobicContact CB-CG2 3.71Å; A167-T302 VanDerWaalsContact N-CG2 3.34Å; T302-A304 PolarHBondContact O-N 2.92Å; T302-A304 PolarHBondContact OG1-N 2.81Å; T302-H305 PolarHBondContact N-O 3.38Å; T302-H305 PolarHBondContact OG1-N 2.75Å; T302-H305 PolarHBondContact OG1-O 2.89Å; T302-N306 PolarHBondContact O-ND2 2.87Å | ||
| 303 | P | 80.6 | Confident | 75.9 | Confident | 136 Ų | 136 | 46.4 Ų | 46.4 | 88% | 0.883 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -61 | -24.6 | 173 | -25.6 | 36.4 | 0 | 0 | 0 | 114.5 | ||
| 304 | A | 78.6 | Confident | 76.6 | Confident | 53 Ų | 53 | 51 Ų | 51 | 44% | 0.438 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -97.1 | -47.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | T302 W309 | T302-A304 PolarHBondContact O-N 2.92Å; T302-A304 PolarHBondContact OG1-N 2.81Å; A304-W309 VanDerWaalsContact O-CB 3.3Å; A304-W309 WeakPolarHBondContact O-CB 3.27Å |
| 305 | H | 84.1 | Confident | 77.6 | Confident | 34 Ų | 34 | 46 Ų | 46 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -112.6 | 110.9 | 179.4 | -53.7 | 113.7 | 0 | 0 | 0 | 110.6 | F163 D165 A167 F298 T302 W309 | F163-H305 HydrophobicContact CD1-CB 4.47Å; F163-H305 AromaticContact CD1-CD2 3.94Å; F163-H305 AromaticContact CD1-CE1 3.95Å; F163-H305 AromaticContact CD1-CG 3.86Å; F163-H305 AromaticContact CD1-ND1 3.86Å; F163-H305 HydrophobicContact CD2-CB 4.36Å; F163-H305 HydrophobicContact CG-CB 4.27Å; F163-H305 AromaticContact CG-CG 3.98Å; F163-H305 AromaticContact CG-ND1 3.87Å; D165-H305 IonicContact OD1-CE1 3.11Å; D165-H305 IonicContact OD1-CG 3.87Å; D165-H305 IonicContact OD1-ND1 2.64Å; D165-H305 PolarHBondContact OD1-ND1 2.83Å; D165-H305 IonicContact OD2-CE1 3.41Å; D165-H305 IonicContact OD2-CG 2.81Å; D165-H305 IonicContact OD2-ND1 3.14Å; D165-H305 PolarHBondContact OD2-ND1 3.25Å; D165-H305 VanDerWaalsContact OD2-ND1 3.08Å; A167-H305 HydrophobicContact CB-CB 3.66Å; F298-H305 HydrophobicContact CE1-CB 4.29Å; T302-H305 PolarHBondContact N-O 3.38Å; T302-H305 PolarHBondContact OG1-N 2.75Å; T302-H305 PolarHBondContact OG1-O 2.89Å; H305-W309 HydrophobicContact CB-CE3 4.15Å; H305-W309 HydrophobicContact CB-CZ3 4.3Å; H305-W309 AromaticContact CD2-CD2 3.99Å; H305-W309 AromaticContact CD2-CE2 3.84Å; H305-W309 AromaticContact CD2-CE3 3.92Å; H305-W309 AromaticContact CD2-CH2 3.66Å; H305-W309 AromaticContact CD2-CZ2 3.7Å; H305-W309 AromaticContact CD2-CZ3 3.76Å |
| 306 | N | 82.3 | Confident | 78.7 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -157.7 | 172.1 | -179.3 | 53.7 | 68.8 | 0 | 0 | 0 | 109.5 | E301 T302 V308 W309 L310 | E301-N306 HydrophobicContact CB-CB 3.9Å; E301-N306 HydrophobicContact CG-CB 3.94Å; E301-N306 WeakPolarHBondContact OE1-CB 3.36Å; T302-N306 PolarHBondContact O-ND2 2.87Å; N306-V308 PolarHBondContact O-N 2.9Å; N306-V308 VanDerWaalsContact O-N 3.13Å; N306-V308 WeakPolarHBondContact OD1-CA 3.47Å; N306-V308 VanDerWaalsContact OD1-CB 3.32Å; N306-V308 WeakPolarHBondContact OD1-CB 3.3Å; N306-V308 PolarHBondContact OD1-N 3.12Å; N306-W309 PolarHBondContact O-N 3.44Å; N306-W309 PolarHBondContact OD1-N 2.89Å; N306-L310 PolarHBondContact O-N 3.29Å |
| 307 | A | 73.5 | Confident | 79.4 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.6 | -32.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F298 E301 S311 F484 | F298-A307 HydrophobicContact CD2-CB 4.11Å; E301-A307 WeakPolarHBondContact OE1-CB 3.34Å; E301-A307 PolarHBondContact OE1-N 2.84Å; A307-S311 VanDerWaalsContact O-CB 3.23Å; A307-S311 WeakPolarHBondContact O-CB 3.43Å; A307-S311 PolarHBondContact O-N 3.38Å; A307-S311 VanDerWaalsContact O-N 3.17Å; A307-S311 PolarHBondContact O-OG 3.15Å; A307-F484 HydrophobicContact CB-CZ 4.33Å |
| 308 | V | 75.1 | Confident | 79.6 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 15% | 0.145 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.1 | -30.3 | 179.7 | -171.7 | 0 | 0 | 0 | 0 | 112.4 | N306 S311 R312 L483 | N306-V308 PolarHBondContact O-N 2.9Å; N306-V308 VanDerWaalsContact O-N 3.13Å; N306-V308 WeakPolarHBondContact OD1-CA 3.47Å; N306-V308 VanDerWaalsContact OD1-CB 3.32Å; N306-V308 WeakPolarHBondContact OD1-CB 3.3Å; N306-V308 PolarHBondContact OD1-N 3.12Å; V308-S311 WeakPolarHBondContact CA-OG 3.3Å; V308-S311 PolarHBondContact O-OG 2.99Å; V308-R312 VanDerWaalsContact O-CB 3.23Å; V308-R312 WeakPolarHBondContact O-CB 3.39Å; V308-R312 WeakPolarHBondContact O-CD 3.16Å; V308-R312 WeakPolarHBondContact O-CG 3.12Å; V308-L483 HydrophobicContact CG2-CB 4.44Å; V308-L483 HydrophobicContact CG2-CD1 3.58Å; V308-L483 HydrophobicContact CG2-CD2 3.77Å; V308-L483 HydrophobicContact CG2-CG 4.14Å |
| 309 | W | 83.5 | Confident | 79.7 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 19% | 0.189 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.5 | -53.9 | 171.5 | 158.9 | 83.7 | 0 | 0 | 0 | 110.7 | F163 A203 F298 A304 H305 N306 S311 R312 L313 V319 | F163-W309 HydrophobicContact CE1-CH2 4.27Å; F163-W309 HydrophobicContact CE1-CZ3 4.47Å; F163-W309 HydrophobicContact CZ-CZ3 4.35Å; A203-W309 HydrophobicContact CB-CH2 3.51Å; A203-W309 HydrophobicContact CB-CZ2 3.65Å; F298-W309 HydrophobicContact CZ-CE3 4.32Å; F298-W309 HydrophobicContact CZ-CZ3 4.3Å; A304-W309 VanDerWaalsContact O-CB 3.3Å; A304-W309 WeakPolarHBondContact O-CB 3.27Å; H305-W309 HydrophobicContact CB-CE3 4.15Å; H305-W309 HydrophobicContact CB-CZ3 4.3Å; H305-W309 AromaticContact CD2-CD2 3.99Å; H305-W309 AromaticContact CD2-CE2 3.84Å; H305-W309 AromaticContact CD2-CE3 3.92Å; H305-W309 AromaticContact CD2-CH2 3.66Å; H305-W309 AromaticContact CD2-CZ2 3.7Å; H305-W309 AromaticContact CD2-CZ3 3.76Å; N306-W309 PolarHBondContact O-N 3.44Å; N306-W309 PolarHBondContact OD1-N 2.89Å; W309-S311 VanDerWaalsContact C-N 3.31Å; W309-S311 PolarHBondContact O-N 2.77Å; W309-R312 WeakPolarHBondContact O-CA 3.42Å; W309-R312 PolarHBondContact O-N 2.75Å; W309-L313 HydrophobicContact CZ2-CD1 4.25Å; W309-L313 HydrophobicContact CZ2-CD2 4.18Å; W309-L313 PolarHBondContact O-N 3.02Å; W309-V319 HydrophobicContact CH2-CG1 3.89Å; W309-V319 HydrophobicContact CZ2-CG1 3.86Å |
| 310 | L | 79.5 | Confident | 79.8 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | -173.5 | -175.4 | 51.7 | 0 | 0 | 0 | 111.4 | L169 A203 L206 R207 P296 F298 N306 R312 L313 | L169-L310 HydrophobicContact CD2-CD2 4.23Å; A203-L310 WeakPolarHBondContact O-CD1 3.38Å; L206-L310 HydrophobicContact CB-CD1 4.16Å; L206-L310 HydrophobicContact CB-CD2 4.39Å; R207-L310 HydrophobicContact CG-CD1 4.21Å; R207-L310 HydrophobicContact CG-CG 4.4Å; R207-L310 VanDerWaalsContact CZ-O 3.27Å; R207-L310 PolarHBondContact NE-O 3.05Å; R207-L310 PolarHBondContact NH2-O 3.17Å; P296-L310 HydrophobicContact CB-CD2 3.85Å; P296-L310 HydrophobicContact CG-CD2 3.43Å; P296-L310 VanDerWaalsContact CG-CD2 3.43Å; P296-L310 HydrophobicContact CG-CG 4.23Å; F298-L310 HydrophobicContact CE2-CB 4.06Å; F298-L310 HydrophobicContact CE2-CD2 3.74Å; F298-L310 HydrophobicContact CZ-CB 4.25Å; F298-L310 HydrophobicContact CZ-CD2 4.02Å; N306-L310 PolarHBondContact O-N 3.29Å; L310-R312 VanDerWaalsContact C-N 3.28Å; L310-R312 PolarHBondContact O-N 3Å; L310-L313 HydrophobicContact CD1-CD1 3.92Å |
| 311 | S | 71.8 | Confident | 80 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 33% | 0.329 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.4 | 174.3 | 60.1 | 0 | 0 | 0 | 0 | 115.9 | R207 A307 V308 W309 F484 | R207-S311 VanDerWaalsContact NH2-C 3.26Å; R207-S311 PolarHBondContact NH2-O 2.89Å; A307-S311 VanDerWaalsContact O-CB 3.23Å; A307-S311 WeakPolarHBondContact O-CB 3.43Å; A307-S311 PolarHBondContact O-N 3.38Å; A307-S311 VanDerWaalsContact O-N 3.17Å; A307-S311 PolarHBondContact O-OG 3.15Å; V308-S311 WeakPolarHBondContact CA-OG 3.3Å; V308-S311 PolarHBondContact O-OG 2.99Å; W309-S311 VanDerWaalsContact C-N 3.31Å; W309-S311 PolarHBondContact O-N 2.77Å; S311-F484 WeakPolarHBondContact OG-CE1 3.31Å |
| 312 | R | 74.7 | Confident | 80.3 | Confident | 146 Ų | 146 | 45.3 Ų | 45.3 | 55% | 0.551 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -7.5 | -179.1 | -80.8 | -179.3 | 170 | -175.5 | -9.1 | 115 | V308 W309 L310 K314 | V308-R312 VanDerWaalsContact O-CB 3.23Å; V308-R312 WeakPolarHBondContact O-CB 3.39Å; V308-R312 WeakPolarHBondContact O-CD 3.16Å; V308-R312 WeakPolarHBondContact O-CG 3.12Å; W309-R312 WeakPolarHBondContact O-CA 3.42Å; W309-R312 PolarHBondContact O-N 2.75Å; L310-R312 VanDerWaalsContact C-N 3.28Å; L310-R312 PolarHBondContact O-N 3Å; R312-K314 PolarHBondContact O-N 2.89Å |
| 313 | L | 75.2 | Confident | 80.5 | Confident | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | trans | -51.1 | 131.6 | 168.6 | -55.8 | 172.8 | 0 | 0 | 0 | 110.1 | A203 L204 R207 W309 L310 V317 | A203-L313 HydrophobicContact CB-CD1 3.42Å; A203-L313 VanDerWaalsContact CB-CD1 3.42Å; A203-L313 WeakPolarHBondContact O-CD1 3.38Å; L204-L313 HydrophobicContact CD2-CB 3.7Å; L204-L313 HydrophobicContact CD2-CD1 4.36Å; R207-L313 PolarHBondContact NH1-O 2.8Å; R207-L313 PolarHBondContact NH2-O 3.43Å; W309-L313 HydrophobicContact CZ2-CD1 4.25Å; W309-L313 HydrophobicContact CZ2-CD2 4.18Å; W309-L313 PolarHBondContact O-N 3.02Å; L310-L313 HydrophobicContact CD1-CD1 3.92Å; L313-V317 HydrophobicContact CD2-CB 4.05Å; L313-V317 HydrophobicContact CD2-CG2 3.72Å | ||
| 314 | K | 69.5 | Low | 80.9 | Confident | 169 Ų | 169 | 39.5 Ų | 39.5 | 74% | 0.735 | 21% | 0.212 | S | C | * | . | trans | -125.5 | 6.4 | 178.4 | -72.6 | -165.6 | 170.4 | -125.5 | 0 | 112.5 | R312 R492 | R312-K314 PolarHBondContact O-N 2.89Å; K314-R492 PolarHBondContact NZ-O 2.82Å | ||
| 315 | S | 75.1 | Confident | 81.5 | Confident | 74 Ų | 74 | 38.4 Ų | 38.4 | 52% | 0.517 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -161.9 | 159.8 | -173.8 | 58.1 | 0 | 0 | 0 | 0 | 106.8 | ||
| 316 | S | 78.3 | Confident | 81.8 | Confident | 70 Ų | 70 | 36.9 Ų | 36.9 | 49% | 0.49 | 19% | 0.191 | S | C | . | . | trans | -51.2 | 137.4 | 170 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | D202 | D202-S316 WeakPolarHBondContact OD1-CA 3.32Å; D202-S316 WeakPolarHBondContact OD2-CA 3.38Å; D202-S316 WeakPolarHBondContact OD2-CB 3.5Å; D202-S316 PolarHBondContact OD2-OG 3.04Å | ||
| 317 | V | 82.4 | Confident | 82 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 17% | 0.17 | 18% | 0.184 | C | C | . | . | trans | -142.4 | 105.4 | 172.4 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | D202 A203 L313 V319 | D202-V317 PolarHBondContact OD1-N 2.72Å; A203-V317 WeakPolarHBondContact CB-O 3.44Å; A203-V317 PolarHBondContact N-O 3.35Å; L313-V317 HydrophobicContact CD2-CB 4.05Å; L313-V317 HydrophobicContact CD2-CG2 3.72Å; V317-V319 PolarHBondContact O-N 2.81Å | ||
| 318 | D | 82.8 | Confident | 82.7 | Confident | 28 Ų | 28 | 35.3 Ų | 35.3 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -48.5 | 122.3 | 168.1 | 1.8 | -62.4 | 0 | 0 | 0 | 111.5 | G201 H712 L716 | G201-D318 WeakPolarHBondContact O-CA 3.27Å; D318-H712 IonicContact OD1-CE1 3.9Å; D318-H712 PolarHBondContact OD1-CE1 2.93Å; D318-H712 IonicContact OD1-ND1 3.88Å; D318-H712 PolarHBondContact OD1-ND1 3.25Å; D318-H712 IonicContact OD2-CE1 3.6Å; D318-H712 IonicContact OD2-ND1 3.24Å; D318-H712 PolarHBondContact OD2-ND1 2.9Å; D318-L716 HydrophobicContact CB-CD2 4.15Å |
| 319 | V | 87.1 | Confident | 83 | Confident | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.036 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 156.5 | 170.3 | -73.9 | 0 | 0 | 0 | 0 | 111.2 | F163 F179 V200 G201 A203 L206 W309 V317 F321 | F163-V319 HydrophobicContact CE1-CB 4.1Å; F163-V319 HydrophobicContact CE1-CG1 4.21Å; F163-V319 HydrophobicContact CE1-CG2 4.32Å; F179-V319 HydrophobicContact CE1-CG2 4.27Å; V200-V319 WeakPolarHBondContact CA-O 3.42Å; G201-V319 PolarHBondContact N-O 2.97Å; G201-V319 PolarHBondContact O-N 2.99Å; A203-V319 HydrophobicContact CB-CB 4.41Å; A203-V319 HydrophobicContact CB-CG1 3.76Å; A203-V319 HydrophobicContact CB-CG2 3.8Å; L206-V319 HydrophobicContact CD1-CG2 4.3Å; W309-V319 HydrophobicContact CH2-CG1 3.89Å; W309-V319 HydrophobicContact CZ2-CG1 3.86Å; V317-V319 PolarHBondContact O-N 2.81Å; V319-F321 HydrophobicContact CG2-CD1 4.22Å; V319-F321 HydrophobicContact CG2-CE1 4.22Å |
| 320 | V | 86.7 | Confident | 83.1 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.036 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.3 | 176.2 | 174 | 0 | 0 | 0 | 0 | 108.2 | L164 F182 W198 L199 V200 L719 | L164-V320 HydrophobicContact CD1-CB 4.01Å; L164-V320 HydrophobicContact CD1-CG1 4.14Å; L164-V320 HydrophobicContact CG-CG1 4.45Å; F182-V320 HydrophobicContact CD1-CG1 3.73Å; F182-V320 HydrophobicContact CD1-CG2 4.42Å; F182-V320 HydrophobicContact CD2-CG2 4.21Å; F182-V320 HydrophobicContact CE1-CB 4.48Å; F182-V320 HydrophobicContact CE1-CG1 3.67Å; F182-V320 HydrophobicContact CE1-CG2 3.99Å; F182-V320 HydrophobicContact CE2-CG2 3.79Å; F182-V320 HydrophobicContact CG-CG1 4.29Å; F182-V320 HydrophobicContact CG-CG2 4.5Å; F182-V320 HydrophobicContact CZ-CG1 4.22Å; F182-V320 HydrophobicContact CZ-CG2 3.65Å; W198-V320 HydrophobicContact CE3-CG1 3.85Å; W198-V320 HydrophobicContact CZ3-CG1 4.34Å; L199-V320 WeakPolarHBondContact O-CA 3.23Å; V200-V320 HydrophobicContact CB-CG2 4.19Å; V200-V320 HydrophobicContact CG2-CG2 3.89Å; V320-L719 HydrophobicContact CG2-CB 4.17Å; V320-L719 HydrophobicContact CG2-CD1 4.16Å |
| 321 | F | 90.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 161.4 | 178.3 | 54.9 | -103.7 | 0 | 0 | 0 | 111.1 | V161 R162 F163 L176 F179 W198 L199 L206 V319 | V161-F321 HydrophobicContact CB-CB 4.43Å; V161-F321 HydrophobicContact CB-CD2 3.53Å; V161-F321 HydrophobicContact CB-CE2 3.92Å; V161-F321 HydrophobicContact CB-CG 4.07Å; V161-F321 HydrophobicContact CG1-CD2 3.69Å; V161-F321 HydrophobicContact CG1-CE2 3.61Å; V161-F321 HydrophobicContact CG2-CD2 4.17Å; V161-F321 HydrophobicContact CG2-CE2 4.38Å; V161-F321 HydrophobicContact CG2-CG 4.38Å; R162-F321 WeakPolarHBondContact O-CA 3.46Å; R162-F321 WeakPolarHBondContact O-CB 3.3Å; F163-F321 HydrophobicContact CD1-CB 4.3Å; F163-F321 HydrophobicContact CE1-CD1 4.15Å; F163-F321 HydrophobicContact CG-CB 4.39Å; F163-F321 HydrophobicContact CZ-CD1 4.44Å; L176-F321 HydrophobicContact CD2-CE2 3.91Å; L176-F321 HydrophobicContact CD2-CZ 4.01Å; F179-F321 AromaticContact CD1-CE1 3.72Å; F179-F321 HydrophobicContact CD1-CE1 3.72Å; F179-F321 AromaticContact CD1-CZ 3.55Å; F179-F321 HydrophobicContact CD1-CZ 3.55Å; F179-F321 HydrophobicContact CD2-CZ 4.4Å; F179-F321 AromaticContact CE1-CE1 3.34Å; F179-F321 HydrophobicContact CE1-CE1 3.34Å; F179-F321 AromaticContact CE1-CZ 3.6Å; F179-F321 HydrophobicContact CE1-CZ 3.6Å; F179-F321 HydrophobicContact CE2-CZ 4.41Å; F179-F321 HydrophobicContact CG-CZ 4.02Å; F179-F321 AromaticContact CZ-CE1 3.9Å; F179-F321 HydrophobicContact CZ-CE1 3.9Å; F179-F321 HydrophobicContact CZ-CZ 4.06Å; W198-F321 WeakPolarHBondContact CA-O 3.38Å; L199-F321 HydrophobicContact CB-CD2 4.19Å; L199-F321 HydrophobicContact CB-CE2 3.77Å; L199-F321 HydrophobicContact CB-CZ 4.18Å; L199-F321 HydrophobicContact CD1-CE2 3.89Å; L199-F321 HydrophobicContact CG-CE2 4.37Å; L199-F321 PolarHBondContact N-O 2.66Å; L199-F321 PolarHBondContact O-N 3.04Å; L206-F321 HydrophobicContact CD1-CD1 4.36Å; L206-F321 HydrophobicContact CD1-CE1 3.88Å; L206-F321 HydrophobicContact CD2-CE1 3.91Å; L206-F321 HydrophobicContact CD2-CZ 3.95Å; L206-F321 HydrophobicContact CG-CE1 4.34Å; V319-F321 HydrophobicContact CG2-CD1 4.22Å; V319-F321 HydrophobicContact CG2-CE1 4.22Å |
| 322 | C | 89.5 | Confident | 84.2 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.4 | 177.3 | 169.3 | 0 | 0 | 0 | 0 | 109 | V161 R162 G196 V197 W198 E324 | V161-C322 CarbonylContact C-O 3.57Å; V161-C322 WeakPolarHBondContact CA-O 3.3Å; R162-C322 PolarHBondContact N-O 2.93Å; R162-C322 PolarHBondContact NH2-SG 3.02Å; R162-C322 VanDerWaalsContact NH2-SG 3.41Å; R162-C322 PolarHBondContact O-N 3.35Å; G196-C322 PolarHBondContact O-SG 3.42Å; G196-C322 VanDerWaalsContact O-SG 3.34Å; V197-C322 CarbonylContact O-C 3.16Å; V197-C322 VanDerWaalsContact O-CA 3.32Å; V197-C322 WeakPolarHBondContact O-CA 3.29Å; W198-C322 HydrophobicContact CD2-CB 3.74Å; W198-C322 HydrophobicContact CE3-CB 3.71Å; W198-C322 HydrophobicContact CG-CB 4.46Å; W198-C322 HydrophobicContact CH2-CB 3.85Å; W198-C322 HydrophobicContact CZ2-CB 3.86Å; W198-C322 HydrophobicContact CZ3-CB 3.76Å; C322-E324 PolarHBondContact O-N 2.88Å; C322-E324 VanDerWaalsContact O-N 3.15Å |
| 323 | V | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 102.9 | 169.4 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | A159 V161 L176 G196 V197 L199 F326 | A159-V323 HydrophobicContact CB-CG1 4.29Å; V161-V323 HydrophobicContact CG1-CG2 4.31Å; L176-V323 HydrophobicContact CD1-CG2 4.41Å; G196-V323 PolarHBondContact N-O 2.84Å; V197-V323 HydrophobicContact CG1-CB 3.9Å; V197-V323 HydrophobicContact CG1-CG2 3.56Å; V197-V323 PolarHBondContact O-N 3.22Å; L199-V323 HydrophobicContact CD1-CG2 3.72Å; L199-V323 HydrophobicContact CG-CG2 4.34Å; V323-F326 HydrophobicContact CG1-CB 3.76Å |
| 324 | E | 89.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 28.3 Ų | 28.3 | 17% | 0.173 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -33.7 | -175 | -173.1 | 164.3 | -143 | 0 | 0 | 111.9 | I160 R162 R168 C322 | I160-E324 PolarHBondContact O-N 2.74Å; R162-E324 HydrophobicContact CB-CB 4.35Å; R162-E324 WeakPolarHBondContact CD-OE2 3.39Å; R162-E324 IonicContact NE-OE1 2.76Å; R162-E324 PolarHBondContact NE-OE1 2.9Å; R162-E324 IonicContact NE-OE2 3.59Å; R168-E324 IonicContact CZ-OE1 3.22Å; R168-E324 IonicContact CZ-OE2 3.92Å; R168-E324 IonicContact NE-OE1 3.57Å; R168-E324 IonicContact NE-OE2 3.05Å; R168-E324 PolarHBondContact NE-OE2 3Å; R168-E324 VanDerWaalsContact NH2-CD 3.28Å; R168-E324 IonicContact NH2-OE1 3.34Å; R168-E324 PolarHBondContact NH2-OE1 3.16Å; R168-E324 IonicContact NH2-OE2 3.68Å; R168-E324 PolarHBondContact NH2-OE2 3.03Å; C322-E324 PolarHBondContact O-N 2.88Å; C322-E324 VanDerWaalsContact O-N 3.15Å |
| 325 | H | 90.4 | Very high | 86.4 | Confident | 30 Ų | 30 | 21.7 Ų | 21.7 | 14% | 0.139 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 145.8 | 169.4 | -72.6 | -68.5 | 0 | 0 | 0 | 111.3 | A159 I160 E195 F268 A271 | A159-H325 CarbonylContact C-O 3.48Å; A159-H325 VanDerWaalsContact CA-O 3.22Å; A159-H325 WeakPolarHBondContact CA-O 3.19Å; I160-H325 HydrophobicContact CB-CB 4.17Å; I160-H325 HydrophobicContact CD1-CB 4.09Å; I160-H325 HydrophobicContact CG1-CB 4.21Å; I160-H325 PolarHBondContact N-O 3.42Å; I160-H325 PolarHBondContact O-N 2.93Å; E195-H325 WeakPolarHBondContact OE1-CA 3.3Å; E195-H325 IonicContact OE1-CG 3.75Å; E195-H325 IonicContact OE1-ND1 3.43Å; E195-H325 PolarHBondContact OE1-ND1 2.98Å; F268-H325 HydrophobicContact CD2-CB 3.74Å; F268-H325 HydrophobicContact CE2-CB 4.21Å; A271-H325 WeakPolarHBondContact CB-CD2 3Å; A271-H325 WeakPolarHBondContact CB-NE2 3.36Å |
| 326 | F | 90.1 | Very high | 86.7 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 121.5 | 179.8 | -178.5 | -111.7 | 0 | 0 | 0 | 110 | V131 Y132 L157 M158 A159 D173 N193 E195 G263 V323 | V131-F326 HydrophobicContact CG1-CD1 4.27Å; V131-F326 HydrophobicContact CG1-CE1 4.11Å; Y132-F326 HydrophobicContact CD1-CE1 4.04Å; Y132-F326 HydrophobicContact CD1-CZ 4.28Å; Y132-F326 AromaticContact CE1-CE1 3.56Å; Y132-F326 HydrophobicContact CE1-CE1 3.56Å; Y132-F326 AromaticContact CE1-CZ 3.78Å; Y132-F326 HydrophobicContact CE1-CZ 3.78Å; L157-F326 HydrophobicContact CB-CE1 4.47Å; L157-F326 HydrophobicContact CB-CE2 3.66Å; L157-F326 HydrophobicContact CB-CZ 3.63Å; L157-F326 HydrophobicContact CD2-CE1 3.74Å; L157-F326 HydrophobicContact CD2-CE2 4.44Å; L157-F326 HydrophobicContact CD2-CZ 3.69Å; L157-F326 HydrophobicContact CG-CZ 4.14Å; M158-F326 WeakPolarHBondContact O-CA 3.4Å; M158-F326 WeakPolarHBondContact O-CD2 3.42Å; A159-F326 HydrophobicContact CB-CD2 4.04Å; D173-F326 HydrophobicContact CB-CE2 4.25Å; N193-F326 HydrophobicContact CB-CZ 4.36Å; N193-F326 WeakPolarHBondContact O-CD1 3.38Å; N193-F326 VanDerWaalsContact O-CE1 3.29Å; N193-F326 WeakPolarHBondContact O-CE1 3.44Å; E195-F326 HydrophobicContact CG-CB 3.9Å; E195-F326 VanDerWaalsContact CG-N 3.26Å; E195-F326 PolarHBondContact OE1-N 3.13Å; E195-F326 VanDerWaalsContact OE1-N 3.13Å; G263-F326 WeakPolarHBondContact CA-O 3.22Å; V323-F326 HydrophobicContact CG1-CB 3.76Å |
| 327 | A | 86.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 160.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L157 M158 F268 | L157-A327 WeakPolarHBondContact CA-O 3.25Å; M158-A327 PolarHBondContact N-O 3.4Å; M158-A327 PolarHBondContact O-N 2.98Å; F268-A327 HydrophobicContact CB-CB 3.69Å; F268-A327 HydrophobicContact CD2-CB 4.11Å; F268-A327 HydrophobicContact CG-CB 4.03Å |
| 328 | P | 87.4 | Confident | 86.3 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.013 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 141.8 | 168.3 | 29.2 | -33.7 | 0 | 0 | 0 | 111.6 | P133 W134 C155 R156 L157 P265 L356 | P133-P328 HydrophobicContact CG-CG 4.17Å; W134-P328 HydrophobicContact CE3-CB 4.24Å; W134-P328 HydrophobicContact CE3-CG 3.99Å; W134-P328 HydrophobicContact CZ3-CB 4.22Å; W134-P328 HydrophobicContact CZ3-CG 3.71Å; C155-P328 WeakPolarHBondContact SG-CB 3.42Å; R156-P328 CarbonylContact O-C 3.6Å; R156-P328 WeakPolarHBondContact O-CA 3.34Å; L157-P328 HydrophobicContact CD2-CB 4.39Å; L157-P328 HydrophobicContact CG-CB 4.27Å; P265-P328 HydrophobicContact CG-CG 4.01Å; P328-L356 WeakPolarHBondContact O-CD1 3.33Å |
| 329 | V | 82.7 | Confident | 85.5 | Confident | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.03 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | -17.1 | -177.1 | -61.7 | 0 | 0 | 0 | 0 | 114.2 | R156 M158 F220 F268 H352 L356 | R156-V329 HydrophobicContact CB-CG2 4.4Å; R156-V329 PolarHBondContact O-N 3.11Å; M158-V329 HydrophobicContact CB-CG1 3.91Å; M158-V329 HydrophobicContact CB-CG2 4.29Å; M158-V329 HydrophobicContact CG-CB 4.48Å; M158-V329 HydrophobicContact CG-CG1 4.09Å; M158-V329 HydrophobicContact CG-CG2 3.59Å; M158-V329 HydrophobicContact SD-CG1 4.28Å; M158-V329 HydrophobicContact SD-CG2 3.8Å; F220-V329 HydrophobicContact CE2-CB 4.35Å; F220-V329 HydrophobicContact CE2-CG1 4.41Å; F268-V329 HydrophobicContact CD1-CG1 3.94Å; F268-V329 HydrophobicContact CE1-CG1 3.62Å; F268-V329 HydrophobicContact CZ-CG1 4.33Å; V329-H352 WeakPolarHBondContact O-CA 3.43Å; V329-L356 VanDerWaalsContact C-CD1 3.42Å |
| 330 | E | 84.9 | Confident | 84.4 | Confident | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 130.9 | 172.8 | -176.8 | -175 | 142.5 | 0 | 0 | 109 | C155 R156 F218 V350 I351 | C155-E330 CarbonylContact C-O 3.54Å; C155-E330 WeakPolarHBondContact CA-O 3.33Å; R156-E330 HydrophobicContact CB-CB 4.18Å; R156-E330 HydrophobicContact CG-CB 4.43Å; R156-E330 IonicContact CZ-OE1 3.08Å; R156-E330 IonicContact CZ-OE2 2.7Å; R156-E330 PolarHBondContact N-O 3.19Å; R156-E330 IonicContact NE-OE2 3.18Å; R156-E330 IonicContact NH1-OE1 2.83Å; R156-E330 PolarHBondContact NH1-OE1 3.08Å; R156-E330 IonicContact NH1-OE2 3.13Å; R156-E330 PolarHBondContact NH1-OE2 3.16Å; F218-E330 VanDerWaalsContact CD2-OE2 3.26Å; F218-E330 WeakPolarHBondContact CD2-OE2 3.42Å; F218-E330 WeakPolarHBondContact CE2-OE2 3.47Å; E330-V350 HydrophobicContact CG-CG1 3.52Å; E330-V350 WeakPolarHBondContact OE1-CG1 3.18Å; E330-I351 CarbonylContact C-O 3.52Å; E330-I351 VanDerWaalsContact CA-O 3.26Å; E330-I351 WeakPolarHBondContact CA-O 3.22Å |
| 331 | A | 87.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.4 | W134 I351 L356 L359 | W134-A331 HydrophobicContact CE3-CB 4.42Å; A331-I351 PolarHBondContact N-O 2.75Å; A331-I351 PolarHBondContact O-N 3.38Å; A331-L356 HydrophobicContact CB-CD2 3.67Å; A331-L359 HydrophobicContact CB-CD1 3.95Å |
| 332 | T | 88.3 | Confident | 81 | Confident | 26 Ų | 26 | 36.6 Ų | 36.6 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.8 | 175.4 | -59.5 | 0 | 0 | 0 | 0 | 109 | V152 S153 G154 R349 V350 | V152-T332 CarbonylContact C-O 3.49Å; V152-T332 WeakPolarHBondContact CA-O 3.31Å; S153-T332 PolarHBondContact N-O 3.37Å; S153-T332 WeakPolarHBondContact OG-CG2 3.29Å; G154-T332 PolarHBondContact O-N 3.41Å; T332-R349 CarbonylContact C-O 3.57Å; T332-R349 VanDerWaalsContact CA-O 3.25Å; T332-R349 WeakPolarHBondContact CA-O 3.3Å; T332-R349 HydrophobicContact CG2-CG 4.1Å; T332-V350 HydrophobicContact CG2-CG2 4.42Å |
| 333 | V | 89.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.7 | -175.3 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | V143 V152 W335 R349 I351 L359 | V143-V333 HydrophobicContact CG2-CG1 3.72Å; V143-V333 HydrophobicContact CG2-CG2 3.9Å; V152-V333 HydrophobicContact CG2-CG2 3.97Å; V333-W335 HydrophobicContact CB-CD2 4.48Å; V333-W335 HydrophobicContact CB-CZ2 3.98Å; V333-W335 HydrophobicContact CG1-CD2 3.71Å; V333-W335 HydrophobicContact CG1-CE3 3.95Å; V333-W335 HydrophobicContact CG1-CG 4.31Å; V333-W335 HydrophobicContact CG1-CH2 3.89Å; V333-W335 HydrophobicContact CG1-CZ2 3.67Å; V333-W335 HydrophobicContact CG1-CZ3 4.02Å; V333-W335 HydrophobicContact CG2-CZ2 4.37Å; V333-W335 PolarHBondContact O-N 3.2Å; V333-R349 PolarHBondContact N-O 2.99Å; V333-I351 HydrophobicContact CB-CD1 4.04Å; V333-I351 HydrophobicContact CG2-CD1 3.57Å; V333-L359 HydrophobicContact CG2-CD2 4.32Å |
| 334 | H | 88 | Confident | 77.9 | Confident | 100 Ų | 100 | 45.4 Ų | 45.4 | 46% | 0.463 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 94.6 | 168.4 | -171.6 | -79 | 0 | 0 | 0 | 109.7 | G150 R151 F336 | G150-H334 CarbonylContact C-O 3.45Å; G150-H334 WeakPolarHBondContact CA-O 3.3Å; R151-H334 PolarHBondContact N-O 2.67Å; R151-H334 PolarHBondContact O-N 3.24Å; H334-F336 WeakPolarHBondContact O-CD1 3.22Å |
| 335 | W | 87.5 | Confident | 77.1 | Confident | 30 Ų | 30 | 52.4 Ų | 52.4 | 11% | 0.114 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 131.4 | 174.8 | -59.2 | 110.9 | 0 | 0 | 0 | 111.1 | V143 W145 W148 L149 V333 P346 P347 P348 I351 L359 | V143-W335 HydrophobicContact CG2-CH2 4.43Å; W145-W335 HydrophobicContact CB-CH2 3.56Å; W145-W335 HydrophobicContact CB-CZ2 4.14Å; W145-W335 HydrophobicContact CB-CZ3 4.31Å; W145-W335 HydrophobicContact CE3-CZ2 4.04Å; W148-W335 HydrophobicContact CB-CD2 4.49Å; W148-W335 HydrophobicContact CB-CE3 3.84Å; W148-W335 HydrophobicContact CB-CZ3 4.11Å; W148-W335 HydrophobicContact CE3-CB 4.04Å; W148-W335 HydrophobicContact CZ3-CB 4.43Å; W148-W335 WeakPolarHBondContact O-CZ3 3.28Å; L149-W335 VanDerWaalsContact C-CE3 3.46Å; V333-W335 HydrophobicContact CB-CD2 4.48Å; V333-W335 HydrophobicContact CB-CZ2 3.98Å; V333-W335 HydrophobicContact CG1-CD2 3.71Å; V333-W335 HydrophobicContact CG1-CE3 3.95Å; V333-W335 HydrophobicContact CG1-CG 4.31Å; V333-W335 HydrophobicContact CG1-CH2 3.89Å; V333-W335 HydrophobicContact CG1-CZ2 3.67Å; V333-W335 HydrophobicContact CG1-CZ3 4.02Å; V333-W335 HydrophobicContact CG2-CZ2 4.37Å; V333-W335 PolarHBondContact O-N 3.2Å; W335-P346 HydrophobicContact CB-CB 4.31Å; W335-P347 VanDerWaalsContact CD1-O 3.25Å; W335-P347 HydrophobicContact CD2-CG 4.15Å; W335-P347 HydrophobicContact CH2-CG 4.3Å; W335-P347 HydrophobicContact CZ2-CB 3.81Å; W335-P347 HydrophobicContact CZ2-CG 3.8Å; W335-P347 PolarHBondContact NE1-O 3.02Å; W335-P348 PolarHBondContact NE1-O 2.85Å; W335-P348 VanDerWaalsContact NE1-O 3.12Å; W335-I351 HydrophobicContact CZ2-CD1 3.7Å; W335-L359 HydrophobicContact CH2-CD2 3.89Å; W335-L359 HydrophobicContact CZ2-CD2 4.18Å |
| 336 | F | 81.5 | Confident | 76.6 | Confident | 85 Ų | 85 | 54.5 Ų | 54.5 | 37% | 0.373 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -15.5 | -175.8 | 62 | -103.7 | 0 | 0 | 0 | 116 | Y142 L149 R151 H334 I945 | Y142-F336 HydrophobicContact CD1-CE1 4.31Å; Y142-F336 HydrophobicContact CD1-CZ 4.11Å; Y142-F336 HydrophobicContact CE1-CE1 4.18Å; Y142-F336 HydrophobicContact CE1-CZ 4Å; L149-F336 HydrophobicContact CD1-CZ 4.3Å; L149-F336 HydrophobicContact CD2-CE2 3.56Å; L149-F336 HydrophobicContact CD2-CZ 3.82Å; L149-F336 HydrophobicContact CG-CE1 4.4Å; L149-F336 HydrophobicContact CG-CE2 3.76Å; L149-F336 HydrophobicContact CG-CZ 3.66Å; L149-F336 PolarHBondContact O-N 3.38Å; R151-F336 HydrophobicContact CB-CE1 4.08Å; H334-F336 WeakPolarHBondContact O-CD1 3.22Å; F336-I945 HydrophobicContact CE2-CD1 3.68Å; F336-I945 HydrophobicContact CZ-CD1 3.81Å |
| 337 | A | 74.6 | Confident | 76.4 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 157.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W148 L149 | W148-A337 WeakPolarHBondContact CA-O 3.42Å; L149-A337 HydrophobicContact CB-CB 4.27Å; L149-A337 HydrophobicContact CD2-CB 4.3Å; L149-A337 PolarHBondContact N-O 3.32Å; L149-A337 PolarHBondContact O-N 3.49Å |
| 338 | N | 76.9 | Confident | 76.4 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 138.2 | 178.8 | 179.4 | 8.9 | 0 | 0 | 0 | 110.9 | S147 W148 N340 | S147-N338 WeakPolarHBondContact CB-OD1 3.28Å; S147-N338 VanDerWaalsContact O-CA 3.29Å; S147-N338 WeakPolarHBondContact O-CA 3.43Å; S147-N338 PolarHBondContact O-OD1 3Å; S147-N338 VanDerWaalsContact O-OD1 3.12Å; W148-N338 HydrophobicContact CD2-CB 3.66Å; W148-N338 HydrophobicContact CE3-CB 3.82Å; W148-N338 HydrophobicContact CG-CB 4.15Å; W148-N338 HydrophobicContact CH2-CB 4.14Å; W148-N338 HydrophobicContact CZ2-CB 3.99Å; W148-N338 WeakPolarHBondContact CZ2-ND2 3.34Å; W148-N338 HydrophobicContact CZ3-CB 4.06Å; W148-N338 PolarHBondContact NE1-ND2 3.46Å; W148-N338 VanDerWaalsContact NE1-ND2 3.19Å; N338-N340 PolarHBondContact ND2-O 2.9Å; N338-N340 PolarHBondContact OD1-N 3.37Å |
| 339 | R | 67.4 | Low | 76.4 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -73 | -31.6 | 173.4 | -163.1 | 178.5 | -178.5 | -131.7 | -10.3 | 112 | S147 S341 S900 T904 D905 S907 P910 | S147-R339 PolarHBondContact O-N 3.18Å; R339-S341 PolarHBondContact O-N 2.81Å; R339-S900 WeakPolarHBondContact O-CB 3.38Å; R339-S900 PolarHBondContact O-OG 2.89Å; R339-T904 PolarHBondContact NH2-O 3Å; R339-D905 IonicContact NH1-OD1 2.66Å; R339-D905 PolarHBondContact NH1-OD1 2.92Å; R339-D905 IonicContact NH2-OD1 3.65Å; R339-S907 VanDerWaalsContact CZ-O 3.31Å; R339-S907 PolarHBondContact NH1-O 3.31Å; R339-P910 HydrophobicContact CB-CB 4.13Å |
| 340 | N | 63.7 | Low | 76.5 | Confident | 69 Ų | 69 | 66.7 Ų | 66.7 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | trans | -95.5 | 97.2 | -173.2 | -68.8 | -4.5 | 0 | 0 | 0 | 111.9 | S147 N338 Q342 | S147-N340 PolarHBondContact OG-ND2 2.83Å; S147-N340 VanDerWaalsContact OG-ND2 3.14Å; N338-N340 PolarHBondContact ND2-O 2.9Å; N338-N340 PolarHBondContact OD1-N 3.37Å; N340-Q342 PolarHBondContact O-N 2.84Å | ||
| 341 | S | 54.1 | Low | 76.5 | Confident | 110 Ų | 110 | 66.5 Ų | 66.5 | 77% | 0.769 | 35% | 0.35 | S | S | * | . | trans | -70.9 | -6.8 | 177.5 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | R339 | R339-S341 PolarHBondContact O-N 2.81Š| ||
| 342 | Q | 50.4 | Low | 76.2 | Confident | 159 Ų | 159 | 69.2 Ų | 69.2 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -115.5 | 142 | 179.8 | -58.7 | -172.4 | 13.9 | 0 | 0 | 111.4 | N340 D344 | N340-Q342 PolarHBondContact O-N 2.84Å; Q342-D344 VanDerWaalsContact C-N 3.33Å; Q342-D344 PolarHBondContact O-N 3.42Å |
| 343 | S | 51.4 | Low | 75.4 | Confident | 117 Ų | 117 | 68.4 Ų | 68.4 | 82% | 0.818 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 61.8 | -36.9 | 178.9 | 70.1 | 0 | 0 | 0 | 0 | 121 | K345 | S343-K345 PolarHBondContact O-N 2.85Š|
| 344 | D | 62.9 | Low | 74.8 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 117.7 | -162.2 | -68.2 | -2.2 | 0 | 0 | 0 | 114 | W148 Q342 | W148-D344 WeakPolarHBondContact CZ2-O 3.44Å; Q342-D344 VanDerWaalsContact C-N 3.33Å; Q342-D344 PolarHBondContact O-N 3.42Å |
| 345 | K | 74.2 | Confident | 74.5 | Confident | 184 Ų | 184 | 71.5 Ų | 71.5 | 80% | 0.8 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 151.7 | 168.9 | -68.2 | -178.6 | -179.5 | 178.9 | 0 | 110.7 | W148 S343 | W148-K345 PolarHBondContact NE1-O 3.26Å; S343-K345 PolarHBondContact O-N 2.85Å |
| 346 | P | 80.3 | Confident | 74.3 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 145 | 171.4 | 24.1 | -33.6 | 0 | 0 | 0 | 111.1 | W148 W335 | W148-P346 HydrophobicContact CD2-CB 4.23Å; W148-P346 VanDerWaalsContact CE2-CA 3.45Å; W148-P346 HydrophobicContact CE3-CB 4.12Å; W148-P346 HydrophobicContact CH2-CB 3.81Å; W148-P346 HydrophobicContact CH2-CG 4.27Å; W148-P346 HydrophobicContact CZ2-CB 3.9Å; W148-P346 HydrophobicContact CZ2-CG 4.39Å; W148-P346 HydrophobicContact CZ3-CB 3.92Å; W335-P346 HydrophobicContact CB-CB 4.31Å |
| 347 | P | 85.4 | Confident | 74.2 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 13% | 0.13 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 166.6 | 172.7 | -17.3 | 28.8 | 0 | 0 | 0 | 111.5 | W145 W148 W335 R349 | W145-P347 HydrophobicContact CB-CG 4.29Å; W145-P347 HydrophobicContact CD2-CB 3.95Å; W145-P347 HydrophobicContact CD2-CG 4.18Å; W145-P347 HydrophobicContact CE3-CB 3.48Å; W145-P347 VanDerWaalsContact CE3-CB 3.48Å; W145-P347 HydrophobicContact CE3-CG 4.12Å; W145-P347 HydrophobicContact CG-CG 4.29Å; W145-P347 HydrophobicContact CH2-CB 4.48Å; W145-P347 HydrophobicContact CZ3-CB 3.78Å; W148-P347 HydrophobicContact CB-CG 4.08Å; W148-P347 HydrophobicContact CG-CG 4.2Å; W335-P347 VanDerWaalsContact CD1-O 3.25Å; W335-P347 HydrophobicContact CD2-CG 4.15Å; W335-P347 HydrophobicContact CH2-CG 4.3Å; W335-P347 HydrophobicContact CZ2-CB 3.81Å; W335-P347 HydrophobicContact CZ2-CG 3.8Å; W335-P347 PolarHBondContact NE1-O 3.02Å; P347-R349 PolarHBondContact O-N 2.87Å |
| 348 | P | 85.8 | Confident | 74.6 | Confident | 68 Ų | 68 | 69.5 Ų | 69.5 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 137.6 | 175.5 | -26.3 | 35.1 | 0 | 0 | 0 | 112.1 | W335 V350 I351 | W335-P348 PolarHBondContact NE1-O 2.85Å; W335-P348 VanDerWaalsContact NE1-O 3.12Å; P348-V350 PolarHBondContact O-N 3.32Å; P348-I351 VanDerWaalsContact O-CG1 3.28Å; P348-I351 WeakPolarHBondContact O-CG1 3.46Å |
| 349 | R | 87.5 | Confident | 75 | Confident | 146 Ų | 146 | 68.2 Ų | 68.2 | 55% | 0.551 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -64.2 | -27.1 | 171.1 | 174.8 | 168.3 | -179.1 | 141.6 | 7.5 | 112 | T332 V333 P347 | T332-R349 CarbonylContact C-O 3.57Å; T332-R349 VanDerWaalsContact CA-O 3.25Å; T332-R349 WeakPolarHBondContact CA-O 3.3Å; T332-R349 HydrophobicContact CG2-CG 4.1Å; V333-R349 PolarHBondContact N-O 2.99Å; P347-R349 PolarHBondContact O-N 2.87Å |
| 350 | V | 85.5 | Confident | 75.7 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 19% | 0.194 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 113.2 | 179.5 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | E330 T332 P348 H352 | E330-V350 HydrophobicContact CG-CG1 3.52Å; E330-V350 WeakPolarHBondContact OE1-CG1 3.18Å; T332-V350 HydrophobicContact CG2-CG2 4.42Å; P348-V350 PolarHBondContact O-N 3.32Å; V350-H352 PolarHBondContact O-ND1 3.14Å |
| 351 | I | 84.9 | Confident | 76.5 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.7 | -166.1 | -50.3 | 171.5 | 0 | 0 | 0 | 107.5 | W145 E330 A331 V333 W335 P348 D355 L356 L359 | W145-I351 HydrophobicContact CE3-CD1 3.9Å; W145-I351 HydrophobicContact CE3-CG1 4.47Å; W145-I351 HydrophobicContact CE3-CG2 4.38Å; W145-I351 HydrophobicContact CH2-CG2 4.28Å; W145-I351 HydrophobicContact CZ3-CB 4.42Å; W145-I351 HydrophobicContact CZ3-CD1 3.87Å; W145-I351 HydrophobicContact CZ3-CG1 3.94Å; W145-I351 HydrophobicContact CZ3-CG2 3.65Å; E330-I351 CarbonylContact C-O 3.52Å; E330-I351 VanDerWaalsContact CA-O 3.26Å; E330-I351 WeakPolarHBondContact CA-O 3.22Å; A331-I351 PolarHBondContact N-O 2.75Å; A331-I351 PolarHBondContact O-N 3.38Å; V333-I351 HydrophobicContact CB-CD1 4.04Å; V333-I351 HydrophobicContact CG2-CD1 3.57Å; W335-I351 HydrophobicContact CZ2-CD1 3.7Å; P348-I351 VanDerWaalsContact O-CG1 3.28Å; P348-I351 WeakPolarHBondContact O-CG1 3.46Å; I351-D355 HydrophobicContact CG2-CB 3.92Å; I351-L356 HydrophobicContact CB-CD2 4.14Å; I351-L356 HydrophobicContact CG2-CD2 3.9Å; I351-L356 HydrophobicContact CG2-CG 4.38Å; I351-L356 WeakPolarHBondContact O-CD2 3.48Å; I351-L359 HydrophobicContact CD1-CD1 3.99Å; I351-L359 HydrophobicContact CD1-CD2 3.77Å; I351-L359 HydrophobicContact CD1-CG 4.17Å; I351-L359 HydrophobicContact CG2-CD1 4.31Å |
| 352 | H | 80.6 | Confident | 77.6 | Confident | 57 Ų | 57 | 63.3 Ų | 63.3 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 162.3 | -167.3 | 52.5 | -80.9 | 0 | 0 | 0 | 111.5 | V329 V350 | V329-H352 WeakPolarHBondContact O-CA 3.43Å; V350-H352 PolarHBondContact O-ND1 3.14Å |
| 353 | G | 71.6 | Confident | 78.6 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 9% | 0.093 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | 63 | -138.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L269 D355 L356 | L269-G353 WeakPolarHBondContact CD1-O 3.47Å; G353-D355 VanDerWaalsContact C-N 3.25Å; G353-D355 PolarHBondContact O-N 2.71Å; G353-L356 PolarHBondContact O-N 3.1Å |
| 354 | L | 76 | Confident | 79.2 | Confident | 93 Ų | 93 | 55.2 Ų | 55.2 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -66.6 | -25.4 | -175.7 | -67.2 | 173.2 | 0 | 0 | 0 | 113.2 | I266 L269 L356 G357 | I266-L354 HydrophobicContact CG1-CD2 4.27Å; I266-L354 HydrophobicContact CG2-CD2 4.32Å; L269-L354 HydrophobicContact CD1-CD2 3.93Å; L269-L354 HydrophobicContact CD1-CG 4.33Å; L354-L356 PolarHBondContact O-N 3.34Å; L354-G357 PolarHBondContact O-N 3.13Å |
| 355 | D | 81.8 | Confident | 79.4 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 39% | 0.39 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -65.8 | -19.8 | -177.9 | -76.3 | -30.2 | 0 | 0 | 0 | 113.6 | W145 I351 G353 G357 N358 | W145-D355 HydrophobicContact CH2-CB 3.67Å; W145-D355 HydrophobicContact CZ2-CB 4.18Å; W145-D355 HydrophobicContact CZ3-CB 4.4Å; I351-D355 HydrophobicContact CG2-CB 3.92Å; G353-D355 VanDerWaalsContact C-N 3.25Å; G353-D355 PolarHBondContact O-N 2.71Å; D355-G357 PolarHBondContact O-N 2.85Å; D355-N358 WeakPolarHBondContact O-CB 3.31Å; D355-N358 PolarHBondContact O-N 3.14Å; D355-N358 PolarHBondContact O-ND2 2.9Å; D355-N358 PolarHBondContact OD1-ND2 2.87Å |
| 356 | L | 83.2 | Confident | 79.4 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -61.2 | -22.2 | 169.8 | -68.6 | 173 | 0 | 0 | 0 | 112.8 | W134 P265 P328 V329 A331 I351 G353 L354 N358 L359 | W134-L356 HydrophobicContact CH2-CB 4.41Å; W134-L356 WeakPolarHBondContact CH2-O 3.48Å; W134-L356 HydrophobicContact CZ3-CB 4.42Å; W134-L356 HydrophobicContact CZ3-CD2 4.07Å; P265-L356 HydrophobicContact CB-CB 4.03Å; P265-L356 HydrophobicContact CB-CD1 4.33Å; P265-L356 HydrophobicContact CG-CB 4.07Å; P265-L356 HydrophobicContact CG-CD1 4.49Å; P328-L356 WeakPolarHBondContact O-CD1 3.33Å; V329-L356 VanDerWaalsContact C-CD1 3.42Å; A331-L356 HydrophobicContact CB-CD2 3.67Å; I351-L356 HydrophobicContact CB-CD2 4.14Å; I351-L356 HydrophobicContact CG2-CD2 3.9Å; I351-L356 HydrophobicContact CG2-CG 4.38Å; I351-L356 WeakPolarHBondContact O-CD2 3.48Å; G353-L356 PolarHBondContact O-N 3.1Å; L354-L356 PolarHBondContact O-N 3.34Å; L356-N358 PolarHBondContact O-N 2.85Å; L356-L359 HydrophobicContact CD2-CD1 3.82Å; L356-L359 PolarHBondContact O-N 3.13Å |
| 357 | G | 79.1 | Confident | 79.4 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -69.5 | -12.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.2 | L354 D355 | L354-G357 PolarHBondContact O-N 3.13Å; D355-G357 PolarHBondContact O-N 2.85Å |
| 358 | N | 83.3 | Confident | 79 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -90.3 | -15.6 | 177.6 | -54.8 | -42.7 | 0 | 0 | 0 | 113.1 | W145 D355 L356 | W145-N358 HydrophobicContact CD2-CB 3.97Å; W145-N358 HydrophobicContact CG-CB 4.02Å; W145-N358 HydrophobicContact CZ2-CB 4.18Å; W145-N358 VanDerWaalsContact CZ2-ND2 3.34Å; W145-N358 WeakPolarHBondContact CZ2-ND2 3.43Å; D355-N358 WeakPolarHBondContact O-CB 3.31Å; D355-N358 PolarHBondContact O-N 3.14Å; D355-N358 PolarHBondContact O-ND2 2.9Å; D355-N358 PolarHBondContact OD1-ND2 2.87Å; L356-N358 PolarHBondContact O-N 2.85Å |
| 359 | L | 85.2 | Confident | 78.4 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | trans | -75.7 | 123.8 | 177 | -73.4 | 174.8 | 0 | 0 | 0 | 110.6 | W134 V143 W145 A331 V333 W335 I351 L356 | W134-L359 HydrophobicContact CH2-CB 4.02Å; W134-L359 HydrophobicContact CH2-CD1 4.2Å; W134-L359 HydrophobicContact CZ2-CB 3.6Å; W134-L359 HydrophobicContact CZ2-CD1 4.29Å; W134-L359 HydrophobicContact CZ3-CD1 4.34Å; V143-L359 HydrophobicContact CB-CD2 4.2Å; V143-L359 HydrophobicContact CG2-CD2 3.99Å; W145-L359 HydrophobicContact CB-CD2 4.46Å; A331-L359 HydrophobicContact CB-CD1 3.95Å; V333-L359 HydrophobicContact CG2-CD2 4.32Å; W335-L359 HydrophobicContact CH2-CD2 3.89Å; W335-L359 HydrophobicContact CZ2-CD2 4.18Å; I351-L359 HydrophobicContact CD1-CD1 3.99Å; I351-L359 HydrophobicContact CD1-CD2 3.77Å; I351-L359 HydrophobicContact CD1-CG 4.17Å; I351-L359 HydrophobicContact CG2-CD1 4.31Å; L356-L359 HydrophobicContact CD2-CD1 3.82Å; L356-L359 PolarHBondContact O-N 3.13Å | ||
| 360 | K | 82.8 | Confident | 78 | Confident | 83 Ų | 83 | 33.8 Ų | 33.8 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138 | 168.4 | -60.6 | -177 | 177.7 | -176.7 | 0 | 109.1 | V143 I144 Y909 I929 | V143-K360 CarbonylContact C-O 3.6Å; V143-K360 WeakPolarHBondContact CA-O 3.21Å; I144-K360 PolarHBondContact N-O 2.95Å; I144-K360 PolarHBondContact O-N 2.91Å; K360-Y909 PolarHBondContact NZ-OH 2.61Å; K360-Y909 VanDerWaalsContact NZ-OH 3.09Å; K360-I929 HydrophobicContact CB-CG2 3.77Å; K360-I929 HydrophobicContact CD-CG2 3.41Å; K360-I929 VanDerWaalsContact CD-CG2 3.41Å; K360-I929 HydrophobicContact CG-CG2 4.27Å |
| 361 | S | 80.8 | Confident | 77.6 | Confident | 29 Ų | 29 | 38.6 Ų | 38.6 | 20% | 0.203 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 150.7 | 167.3 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | E140 Y142 | E140-S361 WeakPolarHBondContact CA-OG 3.29Å; E140-S361 PolarHBondContact O-OG 3.45Å; Y142-S361 CarbonylContact O-C 3.58Å; Y142-S361 WeakPolarHBondContact O-CA 3.13Å; Y142-S361 PolarHBondContact O-OG 2.82Å |
| 362 | V | 77.2 | Confident | 77.3 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -77.5 | -36.4 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | Y142 I144 L149 S364 I895 I929 | Y142-V362 PolarHBondContact O-N 2.7Å; I144-V362 HydrophobicContact CD1-CG2 4.13Å; I144-V362 HydrophobicContact CG1-CG2 4.29Å; L149-V362 HydrophobicContact CD1-CG2 3.67Å; V362-S364 PolarHBondContact O-N 3.23Å; V362-I895 HydrophobicContact CG1-CD1 4.31Å; V362-I895 HydrophobicContact CG1-CG1 4.46Å; V362-I895 HydrophobicContact CG1-CG2 3.9Å; V362-I929 HydrophobicContact CB-CD1 4.39Å; V362-I929 HydrophobicContact CG1-CD1 4.3Å; V362-I929 HydrophobicContact CG2-CD1 4.1Å |
| 363 | I | 72 | Confident | 77.2 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 20% | 0.195 | 21% | 0.212 | C | C | . | . | trans | -83.6 | 108.3 | -176.5 | -68.2 | 166.6 | 0 | 0 | 0 | 109 | D139 N365 I895 | D139-I363 HydrophobicContact CB-CD1 4.12Å; D139-I363 WeakPolarHBondContact O-CD1 2.91Å; I363-N365 PolarHBondContact O-N 2.77Å; I363-I895 HydrophobicContact CD1-CD1 4.19Å; I363-I895 HydrophobicContact CG1-CD1 4.17Å | ||
| 364 | S | 62.8 | Low | 77.6 | Confident | 68 Ų | 68 | 38.2 Ų | 38.2 | 48% | 0.476 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -18.7 | 179 | 64.3 | 0 | 0 | 0 | 0 | 114 | V362 | V362-S364 PolarHBondContact O-N 3.23Š|
| 365 | N | 68.6 | Low | 78.2 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 39 | -170.3 | -63.6 | 19.2 | 0 | 0 | 0 | 111.7 | I363 F367 I368 R927 | I363-N365 PolarHBondContact O-N 2.77Å; N365-F367 HydrophobicContact CB-CD1 4.4Å; N365-F367 HydrophobicContact CB-CE1 3.86Å; N365-F367 HydrophobicContact CB-CZ 4.04Å; N365-F367 PolarHBondContact O-N 2.81Å; N365-I368 HydrophobicContact CB-CD1 3.59Å; N365-I368 HydrophobicContact CB-CG1 4.03Å; N365-I368 WeakPolarHBondContact O-CB 3.43Å; N365-I368 WeakPolarHBondContact O-CG1 3.24Å; N365-I368 PolarHBondContact O-N 3.15Å; N365-R927 PolarHBondContact OD1-NH1 2.84Å |
| 366 | S | 72.8 | Confident | 78.5 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -57.3 | -19.8 | -177.9 | 59 | 0 | 0 | 0 | 0 | 113.9 | E140 I368 N369 W376 | E140-S366 VanDerWaalsContact CG-CB 3.45Å; E140-S366 VanDerWaalsContact OE1-CB 3.28Å; E140-S366 WeakPolarHBondContact OE1-CB 3.39Å; E140-S366 PolarHBondContact OE1-OG 2.88Å; S366-I368 PolarHBondContact O-N 2.87Å; S366-N369 PolarHBondContact O-N 3.47Å; S366-W376 WeakPolarHBondContact O-CH2 3.45Å |
| 367 | F | 80.1 | Confident | 78.9 | Confident | 9 Ų | 9 | 31.1 Ų | 31.1 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -60.5 | -17.9 | 170.7 | 69.5 | -104.6 | 0 | 0 | 0 | 114.5 | M107 C125 D126 L128 N365 N369 C370 | M107-F367 WeakPolarHBondContact CE-O 3.36Å; C125-F367 HydrophobicContact CB-CB 3.98Å; C125-F367 HydrophobicContact CB-CD2 3.35Å; C125-F367 HydrophobicContact CB-CE2 3.97Å; C125-F367 HydrophobicContact CB-CG 3.75Å; C125-F367 WeakPolarHBondContact O-CD1 3.31Å; C125-F367 WeakPolarHBondContact O-CG 3.25Å; D126-F367 WeakPolarHBondContact OD1-CE1 3.5Å; D126-F367 WeakPolarHBondContact OD1-CZ 3.29Å; L128-F367 HydrophobicContact CB-CB 4.44Å; L128-F367 HydrophobicContact CD1-CB 4.46Å; N365-F367 HydrophobicContact CB-CD1 4.4Å; N365-F367 HydrophobicContact CB-CE1 3.86Å; N365-F367 HydrophobicContact CB-CZ 4.04Å; N365-F367 PolarHBondContact O-N 2.81Å; F367-N369 PolarHBondContact O-N 2.85Å; F367-C370 WeakPolarHBondContact O-CB 3.33Å; F367-C370 PolarHBondContact O-N 3.3Å; F367-C370 VanDerWaalsContact O-N 3.14Å |
| 368 | I | 76.6 | Confident | 79.5 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 8% | 0.082 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -62.1 | -31.6 | 179.3 | -72.8 | 174.1 | 0 | 0 | 0 | 110.9 | M86 V105 N365 S366 C370 | M86-I368 HydrophobicContact CE-CG2 3.62Å; M86-I368 HydrophobicContact SD-CG2 3.51Å; M86-I368 VanDerWaalsContact SD-CG2 3.51Å; V105-I368 HydrophobicContact CB-CD1 4.2Å; N365-I368 HydrophobicContact CB-CD1 3.59Å; N365-I368 HydrophobicContact CB-CG1 4.03Å; N365-I368 WeakPolarHBondContact O-CB 3.43Å; N365-I368 WeakPolarHBondContact O-CG1 3.24Å; N365-I368 PolarHBondContact O-N 3.15Å; S366-I368 PolarHBondContact O-N 2.87Å; I368-C370 PolarHBondContact O-N 3.32Å |
| 369 | N | 74.4 | Confident | 79.9 | Confident | 52 Ų | 52 | 30.3 Ų | 30.3 | 28% | 0.278 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -85.2 | 4.5 | -179.7 | -60 | 33.7 | 0 | 0 | 0 | 112.8 | D139 S366 F367 Q371 | D139-N369 PolarHBondContact OD1-ND2 3.31Å; D139-N369 VanDerWaalsContact OD1-ND2 3.13Å; D139-N369 PolarHBondContact OD2-ND2 3.26Å; S366-N369 PolarHBondContact O-N 3.47Å; F367-N369 PolarHBondContact O-N 2.85Å; N369-Q371 WeakPolarHBondContact O-CG 3.39Å; N369-Q371 PolarHBondContact O-N 3.49Å |
| 370 | C | 78.7 | Confident | 80.1 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 118.6 | -177.2 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | M107 F367 I368 D374 W376 I744 | M107-C370 HydrophobicContact CE-CB 3.88Å; F367-C370 WeakPolarHBondContact O-CB 3.33Å; F367-C370 PolarHBondContact O-N 3.3Å; F367-C370 VanDerWaalsContact O-N 3.14Å; I368-C370 PolarHBondContact O-N 3.32Å; C370-D374 WeakPolarHBondContact CA-OD2 2.96Å; C370-W376 HydrophobicContact CB-CZ2 3.86Å; C370-W376 PolarHBondContact SG-NE1 2.85Å; C370-I744 VanDerWaalsContact SG-CG1 3.58Å |
| 371 | Q | 76.9 | Confident | 80.4 | Confident | 134 Ų | 134 | 28 Ų | 28 | 63% | 0.626 | 15% | 0.151 | S | C | * | . | P | Polyproline II helix | trans | -99.4 | 166.4 | -178 | -55.3 | -167.9 | 5 | 0 | 0 | 112.8 | N369 G373 D374 | N369-Q371 WeakPolarHBondContact O-CG 3.39Å; N369-Q371 PolarHBondContact O-N 3.49Å; Q371-G373 PolarHBondContact O-N 2.99Å; Q371-D374 PolarHBondContact N-OD2 3.46Å; Q371-D374 WeakPolarHBondContact O-CB 3.41Å; Q371-D374 PolarHBondContact O-N 2.87Å |
| 372 | V | 79.8 | Confident | 80.6 | Confident | 28 Ų | 28 | 31.9 Ų | 31.9 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 117.3 | 175.7 | 176.1 | 0 | 0 | 0 | 0 | 110.2 | I12 R58 Y745 | I12-V372 HydrophobicContact CD1-CG2 3.68Å; I12-V372 HydrophobicContact CG1-CG2 4.24Å; R58-V372 HydrophobicContact CG-CG1 4.13Å; R58-V372 PolarHBondContact NH1-O 3.37Å; V372-Y745 WeakPolarHBondContact CG1-O 3.28Å |
| 373 | G | 77.7 | Confident | 80.9 | Confident | 8 Ų | 8 | 36 Ų | 36 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.7 | -20.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q371 I744 | Q371-G373 PolarHBondContact O-N 2.99Å; G373-I744 PolarHBondContact N-O 2.89Å |
| 374 | D | 81 | Confident | 81.7 | Confident | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.128 | 19% | 0.19 | C | C | . | . | trans | -59.5 | 152.4 | -178.3 | -70.3 | 1.3 | 0 | 0 | 0 | 113.1 | M190 C370 Q371 W376 R743 I744 | M190-D374 VanDerWaalsContact CE-OD1 3.3Å; M190-D374 WeakPolarHBondContact CE-OD1 3.29Å; C370-D374 WeakPolarHBondContact CA-OD2 2.96Å; Q371-D374 PolarHBondContact N-OD2 3.46Å; Q371-D374 WeakPolarHBondContact O-CB 3.41Å; Q371-D374 PolarHBondContact O-N 2.87Å; D374-W376 VanDerWaalsContact CB-CD1 3.45Å; D374-W376 VanDerWaalsContact CB-NE1 3.3Å; D374-W376 PolarHBondContact OD2-NE1 3.07Å; D374-W376 VanDerWaalsContact OD2-NE1 3.09Å; D374-R743 CarbonylContact O-C 3.47Å; D374-R743 VanDerWaalsContact O-CA 3.3Å; D374-R743 WeakPolarHBondContact O-CA 3.36Å; D374-I744 PolarHBondContact O-N 2.73Å | ||
| 375 | I | 86.7 | Confident | 82.7 | Confident | 11 Ų | 11 | 37.9 Ų | 37.9 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.9 | 170.3 | -51.3 | -179.1 | 0 | 0 | 0 | 109.7 | L114 V131 N192 Y194 V742 | L114-I375 HydrophobicContact CD1-CD1 3.93Å; L114-I375 HydrophobicContact CD1-CG1 4.13Å; L114-I375 HydrophobicContact CD1-CG2 3.65Å; V131-I375 HydrophobicContact CG2-CG2 4.15Å; V131-I375 WeakPolarHBondContact CG2-O 3.23Å; N192-I375 HydrophobicContact CB-CD1 4.49Å; Y194-I375 HydrophobicContact CD1-CD1 3.84Å; Y194-I375 HydrophobicContact CD1-CG2 3.99Å; Y194-I375 HydrophobicContact CE1-CD1 3.98Å; Y194-I375 HydrophobicContact CG-CG2 4.3Å; I375-V742 WeakPolarHBondContact CA-O 3.25Å |
| 376 | W | 89.6 | Confident | 83.6 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 153.9 | 180 | -72.3 | 74.8 | 0 | 0 | 0 | 110.2 | L128 S130 V138 S366 C370 D374 V742 | L128-W376 HydrophobicContact CB-CB 4.37Å; L128-W376 HydrophobicContact CB-CD2 4.3Å; L128-W376 HydrophobicContact CB-CE3 3.74Å; L128-W376 HydrophobicContact CB-CZ3 4.46Å; L128-W376 HydrophobicContact CD2-CB 3.84Å; S130-W376 VanDerWaalsContact N-CE3 3.35Å; V138-W376 HydrophobicContact CG1-CH2 4.31Å; S366-W376 WeakPolarHBondContact O-CH2 3.45Å; C370-W376 HydrophobicContact CB-CZ2 3.86Å; C370-W376 PolarHBondContact SG-NE1 2.85Å; D374-W376 VanDerWaalsContact CB-CD1 3.45Å; D374-W376 VanDerWaalsContact CB-NE1 3.3Å; D374-W376 PolarHBondContact OD2-NE1 3.07Å; D374-W376 VanDerWaalsContact OD2-NE1 3.09Å; W376-V742 HydrophobicContact CB-CG2 4.49Å; W376-V742 PolarHBondContact N-O 3.44Å; W376-V742 PolarHBondContact O-N 3.27Å |
| 377 | Y | 91.2 | Very high | 84.1 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 119.6 | 165.9 | -65.6 | -57.2 | 0 | 0 | 0 | 109.3 | L128 R129 V131 E195 L262 P741 | L128-Y377 CarbonylContact C-O 3.55Å; L128-Y377 WeakPolarHBondContact CA-O 3.43Å; R129-Y377 PolarHBondContact N-O 3.03Å; R129-Y377 PolarHBondContact O-N 3.33Å; V131-Y377 HydrophobicContact CB-CD2 4.46Å; V131-Y377 HydrophobicContact CB-CE2 4.09Å; V131-Y377 HydrophobicContact CG1-CE2 4.12Å; V131-Y377 HydrophobicContact CG2-CD1 4.27Å; V131-Y377 HydrophobicContact CG2-CD2 3.8Å; V131-Y377 HydrophobicContact CG2-CE1 4.19Å; V131-Y377 HydrophobicContact CG2-CE2 3.71Å; V131-Y377 HydrophobicContact CG2-CG 4.1Å; E195-Y377 HydrophobicContact CB-CE1 4.43Å; E195-Y377 PolarHBondContact N-OH 3.24Å; L262-Y377 HydrophobicContact CB-CD1 3.48Å; L262-Y377 VanDerWaalsContact CB-CD1 3.48Å; L262-Y377 HydrophobicContact CB-CD2 4.07Å; L262-Y377 HydrophobicContact CB-CE1 3.55Å; L262-Y377 HydrophobicContact CB-CE2 4.13Å; L262-Y377 HydrophobicContact CB-CG 3.75Å; L262-Y377 HydrophobicContact CD1-CD1 3.46Å; L262-Y377 VanDerWaalsContact CD1-CD1 3.46Å; L262-Y377 HydrophobicContact CD1-CE1 3.72Å; L262-Y377 HydrophobicContact CD1-CG 4.37Å; L262-Y377 HydrophobicContact CG-CD1 4.12Å; L262-Y377 HydrophobicContact CG-CE1 4.23Å; Y377-P741 HydrophobicContact CD1-CB 4.29Å; Y377-P741 HydrophobicContact CE1-CB 4.29Å |
| 378 | Y | 92.1 | Very high | 84.2 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142.1 | 175.7 | -176.8 | -109.2 | 0 | 0 | 0 | 110.7 | M120 I123 H127 L128 L380 D384 W739 V740 | M120-Y378 HydrophobicContact CE-CD1 3.69Å; M120-Y378 HydrophobicContact CE-CE1 3.91Å; M120-Y378 HydrophobicContact CE-CG 4.5Å; M120-Y378 HydrophobicContact SD-CD1 4.5Å; M120-Y378 HydrophobicContact SD-CE1 4.26Å; I123-Y378 HydrophobicContact CB-CE2 4.05Å; I123-Y378 HydrophobicContact CD1-CD2 3.86Å; I123-Y378 HydrophobicContact CD1-CE2 3.82Å; I123-Y378 HydrophobicContact CD1-CG 4.26Å; I123-Y378 HydrophobicContact CG1-CE2 4.47Å; I123-Y378 HydrophobicContact CG2-CE1 4.3Å; H127-Y378 HydrophobicContact CB-CD2 4.15Å; H127-Y378 HydrophobicContact CB-CE2 3.72Å; L128-Y378 HydrophobicContact CD2-CD2 3.68Å; L128-Y378 HydrophobicContact CD2-CG 4.25Å; L128-Y378 HydrophobicContact CG-CD2 4.27Å; Y378-L380 HydrophobicContact CD1-CD2 4.09Å; Y378-L380 HydrophobicContact CE1-CD2 4.17Å; Y378-D384 WeakPolarHBondContact CE1-OD2 3.38Å; Y378-D384 PolarHBondContact OH-OD2 3.09Å; Y378-D384 VanDerWaalsContact OH-OD2 3.1Å; Y378-W739 WeakPolarHBondContact O-CA 3.15Å; Y378-V740 PolarHBondContact N-O 2.94Å; Y378-V740 PolarHBondContact O-N 3.45Å |
| 379 | K | 90.6 | Very high | 84.3 | Confident | 73 Ų | 73 | 38.8 Ų | 38.8 | 32% | 0.317 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117.6 | 170.1 | -172.6 | -174.4 | 173.8 | -167.9 | 0 | 109.7 | H127 Q381 W739 | H127-K379 PolarHBondContact O-N 3.41Å; K379-Q381 PolarHBondContact O-N 3.26Å; K379-Q381 PolarHBondContact O-NE2 3.14Å; K379-W739 HydrophobicContact CB-CD2 3.82Å; K379-W739 HydrophobicContact CB-CE3 3.86Å; K379-W739 HydrophobicContact CB-CG 4.5Å; K379-W739 HydrophobicContact CB-CH2 3.97Å; K379-W739 HydrophobicContact CB-CZ2 3.93Å; K379-W739 HydrophobicContact CB-CZ3 3.93Å; K379-W739 HydrophobicContact CD-CZ2 4Å; K379-W739 HydrophobicContact CG-CD2 4.23Å; K379-W739 HydrophobicContact CG-CZ2 4.28Å |
| 380 | L | 89.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -63.2 | 133 | 178 | -63.9 | 173.8 | 0 | 0 | 0 | 111.2 | M120 Y378 I386 L416 L734 G737 D738 V740 | M120-L380 HydrophobicContact CE-CD2 4.29Å; M120-L380 HydrophobicContact SD-CD2 3.69Å; Y378-L380 HydrophobicContact CD1-CD2 4.09Å; Y378-L380 HydrophobicContact CE1-CD2 4.17Å; L380-I386 HydrophobicContact CD2-CD1 4.38Å; L380-L416 HydrophobicContact CB-CD1 4.11Å; L380-L734 HydrophobicContact CD1-CB 3.86Å; L380-L734 HydrophobicContact CD1-CD1 4.49Å; L380-L734 HydrophobicContact CD1-CD2 4.32Å; L380-L734 HydrophobicContact CD1-CG 4.44Å; L380-G737 PolarHBondContact O-N 3.49Å; L380-D738 PolarHBondContact N-O 2.83Å; L380-V740 HydrophobicContact CD1-CG1 4.14Å; L380-V740 HydrophobicContact CD1-CG2 4.43Å; L380-V740 HydrophobicContact CD2-CG2 4.02Å; L380-V740 HydrophobicContact CG-CG2 4.01Å | ||
| 381 | Q | 89.5 | Confident | 84.2 | Confident | 48 Ų | 48 | 45 Ų | 45 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | trans | -106 | 162 | 174.5 | -48.7 | -56.6 | -45.7 | 0 | 0 | 111.1 | H127 K379 S383 D384 L416 | H127-Q381 VanDerWaalsContact CD2-CD 3.44Å; H127-Q381 VanDerWaalsContact CD2-CG 3.48Å; H127-Q381 WeakPolarHBondContact CD2-CG 3.45Å; H127-Q381 PolarHBondContact CD2-NE2 3.49Å; H127-Q381 VanDerWaalsContact CD2-NE2 3.32Å; K379-Q381 PolarHBondContact O-N 3.26Å; K379-Q381 PolarHBondContact O-NE2 3.14Å; Q381-S383 WeakPolarHBondContact CB-OG 3.39Å; Q381-S383 PolarHBondContact O-N 3.03Å; Q381-D384 PolarHBondContact N-OD2 3.03Å; Q381-D384 PolarHBondContact O-N 3.36Å; Q381-L416 WeakPolarHBondContact O-CD1 3.36Å | ||
| 382 | E | 84.3 | Confident | 84.1 | Confident | 110 Ų | 110 | 40.8 Ų | 40.8 | 51% | 0.514 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.4 | 176.9 | -64.2 | -178.2 | 168.2 | 0 | 0 | 113.3 | P418 P419 A736 | E382-P418 WeakPolarHBondContact OE1-CA 3.31Å; E382-P418 WeakPolarHBondContact OE1-CB 3.43Å; E382-P419 WeakPolarHBondContact OE1-CD 3.39Å; E382-A736 HydrophobicContact CB-CB 4.29Å; E382-A736 HydrophobicContact CG-CB 3.36Å |
| 383 | S | 84.4 | Confident | 83.7 | Confident | 91 Ų | 91 | 45.3 Ų | 45.3 | 64% | 0.636 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -17.9 | 177.6 | 44.3 | 0 | 0 | 0 | 0 | 115.1 | Q381 K385 | Q381-S383 WeakPolarHBondContact CB-OG 3.39Å; Q381-S383 PolarHBondContact O-N 3.03Å; S383-K385 PolarHBondContact O-N 3.36Å |
| 384 | D | 87.5 | Confident | 83.3 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 10% | 0.096 | 25% | 0.251 | C | S | . | . | trans | -83 | 125.9 | -155 | -57.8 | -14.9 | 0 | 0 | 0 | 112.5 | M120 Y378 Q381 I386 L416 | M120-D384 HydrophobicContact SD-CB 4.47Å; Y378-D384 WeakPolarHBondContact CE1-OD2 3.38Å; Y378-D384 PolarHBondContact OH-OD2 3.09Å; Y378-D384 VanDerWaalsContact OH-OD2 3.1Å; Q381-D384 PolarHBondContact N-OD2 3.03Å; Q381-D384 PolarHBondContact O-N 3.36Å; D384-I386 PolarHBondContact O-N 2.71Å; D384-L416 HydrophobicContact CB-CD1 4.44Å | ||
| 385 | K | 85 | Confident | 82.8 | Confident | 129 Ų | 129 | 47.7 Ų | 47.7 | 56% | 0.561 | 25% | 0.25 | S | C | * | . | trans | -89.7 | 107.1 | 179.6 | -64 | 174.5 | -171.6 | 164.9 | 0 | 109.5 | S383 Y387 | S383-K385 PolarHBondContact O-N 3.36Å; K385-Y387 HydrophobicContact CB-CE2 3.74Å; K385-Y387 WeakPolarHBondContact O-CD2 3.2Å; K385-Y387 VanDerWaalsContact O-CE2 3.28Å; K385-Y387 WeakPolarHBondContact O-CE2 3.42Å | ||
| 386 | I | 86.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 47.5 Ų | 47.5 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 129.2 | 180 | -47.5 | -179.7 | 0 | 0 | 0 | 109.9 | I113 K118 M120 L380 D384 G413 L416 L734 | I113-I386 HydrophobicContact CD1-CD1 4.14Å; I113-I386 HydrophobicContact CD1-CG2 3.91Å; K118-I386 HydrophobicContact CB-CG2 3.68Å; K118-I386 HydrophobicContact CD-CG2 3.8Å; K118-I386 HydrophobicContact CG-CG2 3.84Å; M120-I386 HydrophobicContact CG-CG1 4.09Å; M120-I386 HydrophobicContact CG-CG2 4.46Å; M120-I386 HydrophobicContact SD-CG1 4.21Å; L380-I386 HydrophobicContact CD2-CD1 4.38Å; D384-I386 PolarHBondContact O-N 2.71Å; I386-G413 VanDerWaalsContact O-CA 3.31Å; I386-G413 WeakPolarHBondContact O-CA 3.34Å; I386-G413 PolarHBondContact O-N 2.93Å; I386-L416 HydrophobicContact CD1-CD1 4.23Å; I386-L416 HydrophobicContact CD1-CD2 4.07Å; I386-L416 HydrophobicContact CD1-CG 4.29Å; I386-L734 HydrophobicContact CD1-CD1 4.21Å |
| 387 | Y | 85.2 | Confident | 82.3 | Confident | 18 Ų | 18 | 49 Ų | 49 | 7% | 0.071 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.9 | -179.7 | -56.9 | -88.2 | 0 | 0 | 0 | 110.2 | K118 V119 F121 K385 L398 L410 | K118-Y387 CarbonylContact C-O 3.55Å; K118-Y387 VanDerWaalsContact CA-O 3.26Å; K118-Y387 WeakPolarHBondContact CA-O 3.42Å; V119-Y387 PolarHBondContact N-O 2.86Å; V119-Y387 PolarHBondContact O-N 3.33Å; F121-Y387 AromaticContact CD2-CD2 3.6Å; F121-Y387 HydrophobicContact CD2-CD2 3.6Å; F121-Y387 AromaticContact CD2-CE2 3.6Å; F121-Y387 HydrophobicContact CD2-CE2 3.6Å; F121-Y387 AromaticContact CE2-CD2 3.78Å; F121-Y387 HydrophobicContact CE2-CD2 3.78Å; F121-Y387 HydrophobicContact CE2-CE2 4.19Å; F121-Y387 HydrophobicContact CE2-CG 4.33Å; K385-Y387 HydrophobicContact CB-CE2 3.74Å; K385-Y387 WeakPolarHBondContact O-CD2 3.2Å; K385-Y387 VanDerWaalsContact O-CE2 3.28Å; K385-Y387 WeakPolarHBondContact O-CE2 3.42Å; Y387-L398 HydrophobicContact CD1-CD1 4.33Å; Y387-L398 HydrophobicContact CG-CD1 4.18Å; Y387-L410 HydrophobicContact CD1-CB 4.26Å; Y387-L410 HydrophobicContact CE1-CB 3.97Å; Y387-L410 HydrophobicContact CE1-CD1 4.44Å |
| 388 | N | 82.1 | Confident | 81.9 | Confident | 49 Ų | 49 | 49 Ų | 49 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.2 | 179.6 | -179.4 | 0.6 | 0 | 0 | 0 | 110.4 | Q117 S390 | Q117-N388 PolarHBondContact O-OD1 2.86Å; N388-S390 VanDerWaalsContact C-N 3.35Å; N388-S390 PolarHBondContact ND2-OG 2.56Å; N388-S390 WeakPolarHBondContact OD1-CB 3.41Å; N388-S390 PolarHBondContact OD1-N 3.33Å; N388-S390 PolarHBondContact OD1-OG 2.94Å |
| 389 | T | 78 | Confident | 81.4 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -74 | -24.6 | -177.9 | 58 | 0 | 0 | 0 | 0 | 112.9 | Q117 V119 N391 F392 P395 L398 | Q117-T389 PolarHBondContact O-N 3.19Å; Q117-T389 PolarHBondContact O-OG1 3.43Å; V119-T389 HydrophobicContact CB-CG2 4.43Å; V119-T389 HydrophobicContact CG2-CG2 3.58Å; T389-N391 PolarHBondContact O-N 3.3Å; T389-N391 VanDerWaalsContact O-N 3.08Å; T389-F392 PolarHBondContact O-N 2.84Å; T389-P395 HydrophobicContact CG2-CB 4.29Å; T389-L398 HydrophobicContact CG2-CD2 4.17Å |
| 390 | S | 74.7 | Confident | 81.1 | Confident | 72 Ų | 72 | 47.3 Ų | 47.3 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -65.6 | -9.9 | 177.2 | 64.8 | 0 | 0 | 0 | 0 | 114.5 | N388 F392 | N388-S390 VanDerWaalsContact C-N 3.35Å; N388-S390 PolarHBondContact ND2-OG 2.56Å; N388-S390 WeakPolarHBondContact OD1-CB 3.41Å; N388-S390 PolarHBondContact OD1-N 3.33Å; N388-S390 PolarHBondContact OD1-OG 2.94Å; S390-F392 PolarHBondContact O-N 3.17Å |
| 391 | N | 76.1 | Confident | 80.8 | Confident | 112 Ų | 112 | 49.7 Ų | 49.7 | 60% | 0.599 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -74.3 | -6.8 | 170.7 | -70.7 | -13.3 | 0 | 0 | 0 | 113.4 | T389 | T389-N391 PolarHBondContact O-N 3.3Å; T389-N391 VanDerWaalsContact O-N 3.08Å |
| 392 | F | 74.2 | Confident | 80.5 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 20% | 0.202 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -120.2 | 150.5 | -173.9 | -61 | -84.8 | 0 | 0 | 0 | 112 | T389 S390 R394 Q397 L398 K401 L410 | T389-F392 PolarHBondContact O-N 2.84Å; S390-F392 PolarHBondContact O-N 3.17Å; F392-R394 WeakPolarHBondContact CB-O 3.25Å; F392-R394 PolarHBondContact O-N 2.9Å; F392-Q397 HydrophobicContact CB-CB 4.29Å; F392-Q397 HydrophobicContact CD1-CB 3.83Å; F392-Q397 HydrophobicContact CG-CB 4.37Å; F392-L398 HydrophobicContact CD2-CB 4.17Å; F392-L398 HydrophobicContact CE2-CB 4.13Å; F392-L398 HydrophobicContact CE2-CD1 3.93Å; F392-L398 HydrophobicContact CE2-CG 4.49Å; F392-L398 HydrophobicContact CZ-CB 4.48Å; F392-L398 HydrophobicContact CZ-CD1 4.08Å; F392-K401 HydrophobicContact CE1-CD 4.16Å; F392-L410 HydrophobicContact CE1-CD2 4.18Å; F392-L410 HydrophobicContact CE2-CD2 4.39Å; F392-L410 HydrophobicContact CZ-CD2 3.48Å; F392-L410 VanDerWaalsContact CZ-CD2 3.48Å |
| 393 | T | 71.1 | Confident | 80.4 | Confident | 124 Ų | 124 | 44.2 Ų | 44.2 | 76% | 0.761 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -74.7 | -19.3 | 176.2 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | Q397 | T393-Q397 VanDerWaalsContact OG1-CD 3.23Å; T393-Q397 PolarHBondContact OG1-NE2 2.78Å; T393-Q397 PolarHBondContact OG1-OE1 3.27Å |
| 394 | R | 69.2 | Low | 80.4 | Confident | 67 Ų | 67 | 42.8 Ų | 42.8 | 25% | 0.253 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -147 | 128.2 | 171.5 | -77.6 | -171.2 | -178.6 | -165.8 | -3.5 | 107.4 | Y24 F392 E396 Q397 | Y24-R394 PolarHBondContact OH-NH1 3.32Å; F392-R394 WeakPolarHBondContact CB-O 3.25Å; F392-R394 PolarHBondContact O-N 2.9Å; R394-E396 WeakPolarHBondContact CB-OE2 3.31Å; R394-E396 PolarHBondContact O-N 3.29Å; R394-E396 VanDerWaalsContact O-N 3.09Å; R394-Q397 HydrophobicContact CB-CG 4.14Å; R394-Q397 VanDerWaalsContact O-CB 3.28Å; R394-Q397 WeakPolarHBondContact O-CB 3.32Å; R394-Q397 WeakPolarHBondContact O-CG 3.46Å; R394-Q397 PolarHBondContact O-N 3.4Å |
| 395 | P | 72.3 | Confident | 79.6 | Confident | 15 Ų | 15 | 44.5 Ų | 44.5 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -31 | 177 | -28.9 | 35.5 | 0 | 0 | 0 | 114 | F60 F62 T389 Q397 L398 | F60-P395 HydrophobicContact CB-CB 3.64Å; F60-P395 HydrophobicContact CB-CG 4.08Å; F60-P395 HydrophobicContact CD2-CB 3.6Å; F60-P395 HydrophobicContact CE2-CB 4.44Å; F60-P395 HydrophobicContact CG-CB 3.86Å; F62-P395 HydrophobicContact CD2-CG 3.95Å; F62-P395 HydrophobicContact CE2-CG 4.29Å; T389-P395 HydrophobicContact CG2-CB 4.29Å; P395-Q397 PolarHBondContact O-N 2.74Å; P395-L398 WeakPolarHBondContact O-CB 3.33Å; P395-L398 PolarHBondContact O-N 3.14Å |
| 396 | E | 81.6 | Confident | 78.7 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -15.8 | 176.5 | -52.3 | 101.5 | 102.7 | 0 | 0 | 113.5 | A23 Y24 R394 L398 Y400 | A23-E396 PolarHBondContact N-O 2.92Å; A23-E396 WeakPolarHBondContact O-CB 3.47Å; Y24-E396 HydrophobicContact CD1-CG 4.03Å; Y24-E396 HydrophobicContact CE1-CB 4.25Å; Y24-E396 HydrophobicContact CE1-CG 3.55Å; Y24-E396 WeakPolarHBondContact CE1-OE1 3.4Å; Y24-E396 PolarHBondContact OH-OE1 3.49Å; R394-E396 WeakPolarHBondContact CB-OE2 3.31Å; R394-E396 PolarHBondContact O-N 3.29Å; R394-E396 VanDerWaalsContact O-N 3.09Å; E396-L398 VanDerWaalsContact C-N 3.34Å; E396-Y400 PolarHBondContact O-N 3.01Å |
| 397 | Q | 82.8 | Confident | 77.6 | Confident | 40 Ų | 40 | 44 Ų | 44 | 19% | 0.187 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.6 | -24.9 | 171.4 | -63.6 | 175 | -33.9 | 0 | 0 | 112.6 | T20 K21 F392 T393 R394 P395 K401 | T20-Q397 PolarHBondContact O-NE2 2.86Å; K21-Q397 WeakPolarHBondContact O-CA 3.3Å; K21-Q397 WeakPolarHBondContact O-CG 3.3Å; F392-Q397 HydrophobicContact CB-CB 4.29Å; F392-Q397 HydrophobicContact CD1-CB 3.83Å; F392-Q397 HydrophobicContact CG-CB 4.37Å; T393-Q397 VanDerWaalsContact OG1-CD 3.23Å; T393-Q397 PolarHBondContact OG1-NE2 2.78Å; T393-Q397 PolarHBondContact OG1-OE1 3.27Å; R394-Q397 HydrophobicContact CB-CG 4.14Å; R394-Q397 VanDerWaalsContact O-CB 3.28Å; R394-Q397 WeakPolarHBondContact O-CB 3.32Å; R394-Q397 WeakPolarHBondContact O-CG 3.46Å; R394-Q397 PolarHBondContact O-N 3.4Å; P395-Q397 PolarHBondContact O-N 2.74Å; Q397-K401 PolarHBondContact O-N 3.47Å; Q397-K401 VanDerWaalsContact O-N 3.13Å |
| 398 | L | 82.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.7 | -48.9 | 171.9 | 177.1 | 61.4 | 0 | 0 | 0 | 110.1 | V119 F121 Y387 T389 F392 P395 E396 Y400 K401 W402 L410 | V119-L398 HydrophobicContact CB-CD2 4.07Å; F121-L398 HydrophobicContact CE2-CD1 4.12Å; F121-L398 HydrophobicContact CE2-CD2 3.9Å; F121-L398 HydrophobicContact CE2-CG 3.79Å; F121-L398 HydrophobicContact CZ-CD2 3.86Å; F121-L398 HydrophobicContact CZ-CG 3.81Å; Y387-L398 HydrophobicContact CD1-CD1 4.33Å; Y387-L398 HydrophobicContact CG-CD1 4.18Å; T389-L398 HydrophobicContact CG2-CD2 4.17Å; F392-L398 HydrophobicContact CD2-CB 4.17Å; F392-L398 HydrophobicContact CE2-CB 4.13Å; F392-L398 HydrophobicContact CE2-CD1 3.93Å; F392-L398 HydrophobicContact CE2-CG 4.49Å; F392-L398 HydrophobicContact CZ-CB 4.48Å; F392-L398 HydrophobicContact CZ-CD1 4.08Å; P395-L398 WeakPolarHBondContact O-CB 3.33Å; P395-L398 PolarHBondContact O-N 3.14Å; E396-L398 VanDerWaalsContact C-N 3.34Å; L398-Y400 VanDerWaalsContact C-N 3.35Å; L398-Y400 PolarHBondContact O-N 3.44Å; L398-K401 PolarHBondContact O-N 3.21Å; L398-W402 PolarHBondContact O-N 3.1Å; L398-L410 HydrophobicContact CD1-CD1 3.91Å; L398-L410 HydrophobicContact CD1-CD2 3.53Å; L398-L410 HydrophobicContact CD1-CG 4.37Å |
| 399 | L | 81.5 | Confident | 74.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 172.6 | -78.8 | 178.9 | 0 | 0 | 0 | 111.6 | A23 I25 F60 F121 K401 W402 F403 Y745 | A23-L399 HydrophobicContact CB-CB 3.85Å; I25-L399 HydrophobicContact CD1-CD1 3.66Å; I25-L399 HydrophobicContact CD1-CD2 3.92Å; I25-L399 HydrophobicContact CD1-CG 4.46Å; I25-L399 HydrophobicContact CG1-CD1 3.94Å; F60-L399 HydrophobicContact CE2-CD1 3.41Å; F60-L399 VanDerWaalsContact CE2-CD1 3.41Å; F60-L399 HydrophobicContact CE2-CG 3.64Å; F60-L399 HydrophobicContact CZ-CD1 3.74Å; F60-L399 HydrophobicContact CZ-CD2 4.3Å; F60-L399 HydrophobicContact CZ-CG 3.78Å; F121-L399 HydrophobicContact CE1-CD2 3.59Å; F121-L399 HydrophobicContact CZ-CD2 4.08Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 3.07Å; L399-W402 WeakPolarHBondContact O-CB 3.35Å; L399-W402 PolarHBondContact O-N 3.44Å; L399-F403 HydrophobicContact CB-CD2 4.1Å; L399-F403 HydrophobicContact CB-CE2 4.05Å; L399-F403 HydrophobicContact CD1-CE2 4.47Å; L399-F403 HydrophobicContact CD2-CE2 4.03Å; L399-F403 HydrophobicContact CG-CE2 4.42Å; L399-F403 WeakPolarHBondContact O-CD2 3.31Å; L399-F403 PolarHBondContact O-N 2.87Å; L399-Y745 HydrophobicContact CD1-CE1 3.99Å |
| 400 | Y | 85 | Confident | 73.8 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 15% | 0.149 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 178.9 | -172.7 | -87.9 | 0 | 0 | 0 | 112.1 | L16 K21 A23 E396 L398 T404 | L16-Y400 HydrophobicContact CB-CE2 4.29Å; L16-Y400 HydrophobicContact CD2-CD2 4Å; L16-Y400 HydrophobicContact CD2-CE2 4.34Å; K21-Y400 VanDerWaalsContact C-CD2 3.48Å; K21-Y400 HydrophobicContact CB-CD1 3.73Å; K21-Y400 HydrophobicContact CB-CE1 3.73Å; K21-Y400 HydrophobicContact CB-CG 4.14Å; K21-Y400 HydrophobicContact CD-CE1 4.21Å; K21-Y400 HydrophobicContact CG-CD1 4.37Å; K21-Y400 HydrophobicContact CG-CE1 3.88Å; K21-Y400 WeakPolarHBondContact O-CB 3.29Å; K21-Y400 VanDerWaalsContact O-CG 3.24Å; A23-Y400 HydrophobicContact CB-CD2 4.44Å; E396-Y400 PolarHBondContact O-N 3.01Å; L398-Y400 VanDerWaalsContact C-N 3.35Å; L398-Y400 PolarHBondContact O-N 3.44Å; Y400-T404 HydrophobicContact CD1-CG2 4.23Å; Y400-T404 HydrophobicContact CE1-CG2 3.91Å; Y400-T404 HydrophobicContact CE2-CG2 4.45Å; Y400-T404 WeakPolarHBondContact O-CB 3.42Å; Y400-T404 WeakPolarHBondContact O-CG2 3.35Å; Y400-T404 PolarHBondContact O-N 3.49Å; Y400-T404 PolarHBondContact O-OG1 2.9Å |
| 401 | K | 83.9 | Confident | 72.6 | Confident | 51 Ų | 51 | 49.1 Ų | 49.1 | 22% | 0.222 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -37.3 | 174.3 | -78.7 | -168 | 171.9 | -163.9 | 0 | 113.3 | F392 Q397 L398 L399 N405 D406 S409 L410 | F392-K401 HydrophobicContact CE1-CD 4.16Å; Q397-K401 PolarHBondContact O-N 3.47Å; Q397-K401 VanDerWaalsContact O-N 3.13Å; L398-K401 PolarHBondContact O-N 3.21Å; L399-K401 VanDerWaalsContact C-N 3.29Å; L399-K401 PolarHBondContact O-N 3.07Å; K401-N405 PolarHBondContact O-N 3.45Å; K401-D406 HydrophobicContact CB-CB 4.46Å; K401-D406 HydrophobicContact CG-CB 4.36Å; K401-D406 PolarHBondContact O-N 2.9Å; K401-S409 WeakPolarHBondContact CE-OG 3.49Å; K401-S409 PolarHBondContact NZ-O 2.92Å; K401-S409 PolarHBondContact NZ-OG 3.17Å; K401-L410 HydrophobicContact CB-CD1 3.92Å; K401-L410 HydrophobicContact CB-CD2 4.1Å; K401-L410 HydrophobicContact CB-CG 4.04Å; K401-L410 HydrophobicContact CD-CD2 3.56Å; K401-L410 HydrophobicContact CD-CG 3.95Å; K401-L410 HydrophobicContact CG-CD2 4.49Å |
| 402 | W | 83 | Confident | 71.5 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -56 | 176.3 | -173.9 | 88.6 | 0 | 0 | 0 | 110.8 | H110 F121 D122 L398 L399 T404 N405 | H110-W402 AromaticContact CE1-CH2 3.47Å; H110-W402 VanDerWaalsContact CE1-CH2 3.47Å; H110-W402 WeakPolarHBondContact CE1-CH2 3.5Å; H110-W402 AromaticContact CE1-CZ2 3.49Å; H110-W402 VanDerWaalsContact CE1-CZ2 3.49Å; H110-W402 WeakPolarHBondContact CE1-CZ2 3.35Å; H110-W402 AromaticContact NE2-CE3 3.93Å; H110-W402 AromaticContact NE2-CH2 3.14Å; H110-W402 WeakPolarHBondContact NE2-CH2 3.46Å; H110-W402 AromaticContact NE2-CZ2 3.54Å; H110-W402 AromaticContact NE2-CZ3 3.34Å; H110-W402 VanDerWaalsContact NE2-CZ3 3.34Å; H110-W402 WeakPolarHBondContact NE2-CZ3 3.31Å; F121-W402 AromaticContact CD2-CD1 3.79Å; F121-W402 HydrophobicContact CD2-CG 4.37Å; F121-W402 AromaticContact CG-CD1 3.87Å; F121-W402 HydrophobicContact CG-CG 4.37Å; F121-W402 AromaticContact CG-NE1 3.9Å; D122-W402 WeakPolarHBondContact OD1-CZ2 3.37Å; L398-W402 PolarHBondContact O-N 3.1Å; L399-W402 WeakPolarHBondContact O-CB 3.35Å; L399-W402 PolarHBondContact O-N 3.44Å; W402-T404 PolarHBondContact O-N 2.89Å; W402-N405 PolarHBondContact O-N 3.48Å |
| 403 | F | 83 | Confident | 70.4 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -27.3 | 177 | -73.6 | -64.3 | 0 | 0 | 0 | 114.3 | Y14 L16 A23 I25 L81 L399 | Y14-F403 HydrophobicContact CD1-CD1 4.23Å; Y14-F403 AromaticContact CD1-CE1 3.64Å; Y14-F403 HydrophobicContact CD1-CE1 3.64Å; Y14-F403 AromaticContact CD1-CZ 4Å; Y14-F403 HydrophobicContact CD1-CZ 4Å; Y14-F403 AromaticContact CD2-CD1 3.78Å; Y14-F403 HydrophobicContact CD2-CD1 3.78Å; Y14-F403 AromaticContact CD2-CD2 3.98Å; Y14-F403 HydrophobicContact CD2-CD2 3.98Å; Y14-F403 AromaticContact CD2-CE1 3.79Å; Y14-F403 HydrophobicContact CD2-CE1 3.79Å; Y14-F403 AromaticContact CD2-CE2 3.98Å; Y14-F403 HydrophobicContact CD2-CE2 3.98Å; Y14-F403 AromaticContact CD2-CG 3.89Å; Y14-F403 HydrophobicContact CD2-CG 3.89Å; Y14-F403 AromaticContact CD2-CZ 3.89Å; Y14-F403 HydrophobicContact CD2-CZ 3.89Å; Y14-F403 HydrophobicContact CE1-CD1 4.02Å; Y14-F403 AromaticContact CE1-CE1 3.79Å; Y14-F403 HydrophobicContact CE1-CE1 3.79Å; Y14-F403 HydrophobicContact CE2-CB 4.14Å; Y14-F403 AromaticContact CE2-CD1 3.55Å; Y14-F403 HydrophobicContact CE2-CD1 3.55Å; Y14-F403 HydrophobicContact CE2-CD2 4.34Å; Y14-F403 AromaticContact CE2-CE1 3.94Å; Y14-F403 HydrophobicContact CE2-CE1 3.94Å; Y14-F403 AromaticContact CE2-CG 3.78Å; Y14-F403 HydrophobicContact CE2-CG 3.78Å; Y14-F403 HydrophobicContact CE2-CZ 4.49Å; Y14-F403 HydrophobicContact CG-CD1 4.12Å; Y14-F403 AromaticContact CG-CE1 3.63Å; Y14-F403 HydrophobicContact CG-CE1 3.63Å; Y14-F403 HydrophobicContact CG-CE2 4.08Å; Y14-F403 AromaticContact CG-CZ 3.62Å; Y14-F403 HydrophobicContact CG-CZ 3.62Å; Y14-F403 AromaticContact CZ-CD1 3.68Å; Y14-F403 AromaticContact CZ-CE1 3.95Å; L16-F403 HydrophobicContact CD2-CB 4.03Å; L16-F403 HydrophobicContact CD2-CD2 4.38Å; L16-F403 HydrophobicContact CD2-CG 4.44Å; A23-F403 HydrophobicContact CB-CD2 3.64Å; A23-F403 HydrophobicContact CB-CE2 4.05Å; I25-F403 HydrophobicContact CD1-CE2 3.93Å; I25-F403 HydrophobicContact CD1-CZ 3.72Å; I25-F403 HydrophobicContact CG1-CE2 4.02Å; I25-F403 HydrophobicContact CG1-CZ 3.95Å; L81-F403 HydrophobicContact CD1-CE1 3.99Å; L81-F403 HydrophobicContact CD2-CE1 4.43Å; L81-F403 HydrophobicContact CD2-CZ 4.2Å; L399-F403 HydrophobicContact CB-CD2 4.1Å; L399-F403 HydrophobicContact CB-CE2 4.05Å; L399-F403 HydrophobicContact CD1-CE2 4.47Å; L399-F403 HydrophobicContact CD2-CE2 4.03Å; L399-F403 HydrophobicContact CG-CE2 4.42Å; L399-F403 WeakPolarHBondContact O-CD2 3.31Å; L399-F403 PolarHBondContact O-N 2.87Å |
| 404 | T | 83.1 | Confident | 69.4 | Low | 61 Ų | 61 | 48.2 Ų | 48.2 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 9.2 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 114 | Y400 W402 D406 | Y400-T404 HydrophobicContact CD1-CG2 4.23Å; Y400-T404 HydrophobicContact CE1-CG2 3.91Å; Y400-T404 HydrophobicContact CE2-CG2 4.45Å; Y400-T404 WeakPolarHBondContact O-CB 3.42Å; Y400-T404 WeakPolarHBondContact O-CG2 3.35Å; Y400-T404 PolarHBondContact O-N 3.49Å; Y400-T404 PolarHBondContact O-OG1 2.9Å; W402-T404 PolarHBondContact O-N 2.89Å; T404-D406 PolarHBondContact O-N 2.82Å; T404-D406 VanDerWaalsContact O-N 3.13Å |
| 405 | N | 71.3 | Confident | 68.5 | Low | 54 Ų | 54 | 50 Ų | 50 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 16.2 | -178.7 | -91 | 1.4 | 0 | 0 | 0 | 116 | K401 W402 I407 L628 | K401-N405 PolarHBondContact O-N 3.45Å; W402-N405 PolarHBondContact O-N 3.48Å; N405-I407 PolarHBondContact O-N 3.37Å; N405-L628 PolarHBondContact ND2-N 3.34Å; N405-L628 PolarHBondContact ND2-O 2.89Å |
| 406 | D | 65.5 | Low | 67.6 | Low | 64 Ų | 64 | 50.1 Ų | 50.1 | 34% | 0.342 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -77.4 | 40 | 171.3 | -170.5 | 9.1 | 0 | 0 | 0 | 111.5 | K401 T404 S408 S409 | K401-D406 HydrophobicContact CB-CB 4.46Å; K401-D406 HydrophobicContact CG-CB 4.36Å; K401-D406 PolarHBondContact O-N 2.9Å; T404-D406 PolarHBondContact O-N 2.82Å; T404-D406 VanDerWaalsContact O-N 3.13Å; D406-S408 PolarHBondContact O-N 3.17Å; D406-S409 PolarHBondContact O-N 3.34Å; D406-S409 PolarHBondContact O-OG 2.61Å; D406-S409 VanDerWaalsContact O-OG 3.12Å; D406-S409 VanDerWaalsContact OD1-CB 3.26Å; D406-S409 WeakPolarHBondContact OD1-CB 3.4Å; D406-S409 PolarHBondContact OD1-OG 2.95Å; D406-S409 PolarHBondContact OD2-OG 3.25Å |
| 407 | I | 63.3 | Low | 65.5 | Low | 61 Ų | 61 | 53.5 Ų | 53.5 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -70.7 | -23.4 | 178 | -56.7 | 166.2 | 0 | 0 | 0 | 110 | N405 S409 L410 | N405-I407 PolarHBondContact O-N 3.37Å; I407-S409 PolarHBondContact O-N 2.88Å; I407-L410 HydrophobicContact CG1-CD1 4.34Å; I407-L410 HydrophobicContact CG2-CB 4.44Å; I407-L410 WeakPolarHBondContact O-CB 3.49Å; I407-L410 PolarHBondContact O-N 2.82Å |
| 408 | S | 54.8 | Low | 63.3 | Low | 117 Ų | 117 | 54.8 Ų | 54.8 | 82% | 0.818 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -58.4 | -24.1 | 169.3 | 43.4 | 0 | 0 | 0 | 0 | 114.3 | D406 | D406-S408 PolarHBondContact O-N 3.17Š|
| 409 | S | 53.6 | Low | 61 | Low | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -104.2 | 10.1 | 172.7 | 73.8 | 0 | 0 | 0 | 0 | 113.6 | K401 D406 I407 | K401-S409 WeakPolarHBondContact CE-OG 3.49Å; K401-S409 PolarHBondContact NZ-O 2.92Å; K401-S409 PolarHBondContact NZ-OG 3.17Å; D406-S409 PolarHBondContact O-N 3.34Å; D406-S409 PolarHBondContact O-OG 2.61Å; D406-S409 VanDerWaalsContact O-OG 3.12Å; D406-S409 VanDerWaalsContact OD1-CB 3.26Å; D406-S409 WeakPolarHBondContact OD1-CB 3.4Å; D406-S409 PolarHBondContact OD1-OG 2.95Å; D406-S409 PolarHBondContact OD2-OG 3.25Å; I407-S409 PolarHBondContact O-N 2.88Å |
| 410 | L | 56.7 | Low | 58.7 | Low | 14 Ų | 14 | 67.3 Ų | 67.3 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | trans | -97.4 | 82.1 | 167.8 | -68.6 | 179.3 | 0 | 0 | 0 | 109.6 | Y387 F392 L398 K401 I407 A412 | Y387-L410 HydrophobicContact CD1-CB 4.26Å; Y387-L410 HydrophobicContact CE1-CB 3.97Å; Y387-L410 HydrophobicContact CE1-CD1 4.44Å; F392-L410 HydrophobicContact CE1-CD2 4.18Å; F392-L410 HydrophobicContact CE2-CD2 4.39Å; F392-L410 HydrophobicContact CZ-CD2 3.48Å; F392-L410 VanDerWaalsContact CZ-CD2 3.48Å; L398-L410 HydrophobicContact CD1-CD1 3.91Å; L398-L410 HydrophobicContact CD1-CD2 3.53Å; L398-L410 HydrophobicContact CD1-CG 4.37Å; K401-L410 HydrophobicContact CB-CD1 3.92Å; K401-L410 HydrophobicContact CB-CD2 4.1Å; K401-L410 HydrophobicContact CB-CG 4.04Å; K401-L410 HydrophobicContact CD-CD2 3.56Å; K401-L410 HydrophobicContact CD-CG 3.95Å; K401-L410 HydrophobicContact CG-CD2 4.49Å; I407-L410 HydrophobicContact CG1-CD1 4.34Å; I407-L410 HydrophobicContact CG2-CB 4.44Å; I407-L410 WeakPolarHBondContact O-CB 3.49Å; I407-L410 PolarHBondContact O-N 2.82Å; L410-A412 PolarHBondContact O-N 3.3Å | ||
| 411 | G | 50.5 | Low | 56.1 | Low | 66 Ų | 66 | 76 Ų | 76 | 68% | 0.68 | 43% | 0.432 | S | S | * | . | trans | -58 | 111.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G413 | G411-G413 PolarHBondContact O-N 3.14Š| ||
| 412 | A | 53.1 | Low | 53.6 | Low | 63 Ų | 63 | 80.4 Ų | 80.4 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | trans | -58.5 | 128.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L410 F414 | L410-A412 PolarHBondContact O-N 3.3Å; A412-F414 VanDerWaalsContact C-N 3.31Å; A412-F414 PolarHBondContact O-N 3.46Å | ||
| 413 | G | 49.6 | Very low | 51.2 | Low | 21 Ų | 21 | 86.6 Ų | 86.6 | 22% | 0.216 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -81.6 | 71.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113 | I386 G411 | I386-G413 VanDerWaalsContact O-CA 3.31Å; I386-G413 WeakPolarHBondContact O-CA 3.34Å; I386-G413 PolarHBondContact O-N 2.93Å; G411-G413 PolarHBondContact O-N 3.14Å |
| 414 | F | 51.1 | Low | 48.6 | Very low | 179 Ų | 179 | 92.3 Ų | 92.3 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | trans | 74.7 | 141.3 | -168.2 | -63.5 | -103.3 | 0 | 0 | 0 | 114.3 | A412 | A412-F414 VanDerWaalsContact C-N 3.31Å; A412-F414 PolarHBondContact O-N 3.46Å | ||
| 415 | S | 51 | Low | 46.3 | Very low | 105 Ų | 105 | 96.5 Ų | 96.5 | 73% | 0.734 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 139.6 | 154.7 | -174.8 | 0 | 0 | 0 | 0 | 108 | ||
| 416 | L | 51.6 | Low | 44.5 | Very low | 17 Ų | 17 | 101.6 Ų | 101.6 | 9% | 0.089 | 57% | 0.57 | C | S | . | * | P | Polyproline II helix | trans | -64.4 | 137.8 | 168.1 | -65.5 | 167.9 | 0 | 0 | 0 | 108.8 | L380 Q381 D384 I386 L734 A736 | L380-L416 HydrophobicContact CB-CD1 4.11Å; Q381-L416 WeakPolarHBondContact O-CD1 3.36Å; D384-L416 HydrophobicContact CB-CD1 4.44Å; I386-L416 HydrophobicContact CD1-CD1 4.23Å; I386-L416 HydrophobicContact CD1-CD2 4.07Å; I386-L416 HydrophobicContact CD1-CG 4.29Å; L416-L734 HydrophobicContact CD2-CB 4.19Å; L416-L734 WeakPolarHBondContact CD2-O 3.49Å; L416-A736 HydrophobicContact CB-CB 4.36Å |
| 417 | S | 38.6 | Very low | 42.9 | Very low | 77 Ų | 77 | 108.3 Ų | 108.3 | 54% | 0.538 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -92.9 | 139.2 | 179.5 | 50 | 0 | 0 | 0 | 0 | 110.4 | ||
| 418 | P | 36.5 | Very low | 41.3 | Very low | 67 Ų | 67 | 111.1 Ų | 111.1 | 44% | 0.435 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 152.7 | -173.9 | 28 | -35.9 | 0 | 0 | 0 | 112.4 | E382 Y420 | E382-P418 WeakPolarHBondContact OE1-CA 3.31Å; E382-P418 WeakPolarHBondContact OE1-CB 3.43Å; P418-Y420 HydrophobicContact CG-CE2 4.34Å; P418-Y420 PolarHBondContact O-N 2.71Å |
| 419 | P | 35 | Very low | 40.1 | Very low | 77 Ų | 77 | 114.4 Ų | 114.4 | 50% | 0.5 | 62% | 0.623 | S | S | . | * | trans | -73.8 | 97.6 | -178.1 | 29.9 | -33.8 | 0 | 0 | 0 | 111.6 | E382 Y421 | E382-P419 WeakPolarHBondContact OE1-CD 3.39Å; P419-Y421 PolarHBondContact O-N 3.16Å | ||
| 420 | Y | 33 | Very low | 39 | Very low | 187 Ų | 187 | 117.4 Ų | 117.4 | 73% | 0.733 | 64% | 0.639 | S | S | * | * | trans | -67.5 | 97.8 | 175.9 | -88.6 | -87.3 | 0 | 0 | 0 | 112.8 | P418 L422 | P418-Y420 HydrophobicContact CG-CE2 4.34Å; P418-Y420 PolarHBondContact O-N 2.71Å; Y420-L422 HydrophobicContact CD1-CD1 3.82Å; Y420-L422 HydrophobicContact CD1-CG 4.17Å; Y420-L422 HydrophobicContact CG-CD1 4.47Å; Y420-L422 PolarHBondContact O-N 2.83Å; Y420-L422 VanDerWaalsContact O-N 3.16Å | ||
| 421 | Y | 30.1 | Very low | 37.9 | Very low | 221 Ų | 221 | 123 Ų | 123 | 87% | 0.867 | 67% | 0.669 | S | S | * | * | trans | -73.4 | 91.6 | 159.2 | -67.5 | -84 | 0 | 0 | 0 | 109.8 | P419 | P419-Y421 PolarHBondContact O-N 3.16Š| ||
| 422 | L | 30.2 | Very low | 36.9 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | trans | -110.2 | 106.4 | 174.9 | -87.4 | 167.7 | 0 | 0 | 0 | 112.1 | Y420 | Y420-L422 HydrophobicContact CD1-CD1 3.82Å; Y420-L422 HydrophobicContact CD1-CG 4.17Å; Y420-L422 HydrophobicContact CG-CD1 4.47Å; Y420-L422 PolarHBondContact O-N 2.83Å; Y420-L422 VanDerWaalsContact O-N 3.16Å | ||
| 423 | L | 32.9 | Very low | 35.9 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 83% | 0.827 | 69% | 0.69 | S | S | * | * | trans | -84.2 | 110 | 162.3 | -80.3 | 160.8 | 0 | 0 | 0 | 109.4 | ||||
| 424 | N | 28.9 | Very low | 35.1 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | trans | 67 | 162.7 | 153.9 | -59.8 | -4.8 | 0 | 0 | 0 | 120.9 | ||||
| 425 | D | 35.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | trans | 76.3 | 82.3 | 157.4 | -57.9 | -13.8 | 0 | 0 | 0 | 121.4 | ||||
| 426 | D | 31.9 | Very low | 33.2 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | 31.6 | 102.4 | 129.8 | -74 | -4.9 | 0 | 0 | 0 | 120.9 | |||||
| 427 | K | 33.6 | Very low | 32.3 | Very low | 205 Ų | 205 | 152.9 Ų | 152.9 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | -179.3 | 143.9 | 113.1 | -104 | 169.5 | -178.9 | 173.3 | 0 | 114.6 | |||||
| 428 | P | 28.9 | Very low | 32 | Very low | 120 Ų | 120 | 155.8 Ų | 155.8 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -97.8 | 149.1 | 167.8 | 36.8 | -31.8 | 0 | 0 | 0 | 113.1 | ||||
| 429 | M | 30.5 | Very low | 31.6 | Very low | 187 Ų | 187 | 157.3 Ų | 157.3 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -141.6 | 152.1 | 153.3 | -83.1 | -158.2 | 67.9 | 0 | 0 | 110.1 | ||||
| 430 | T | 29.4 | Very low | 31.3 | Very low | 115 Ų | 115 | 159.4 Ų | 159.4 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -96.5 | 153.5 | 179.7 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 431 | D | 33.5 | Very low | 31.2 | Very low | 133 Ų | 133 | 157.8 Ų | 157.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | 167.9 | 116.9 | 120.8 | -78.7 | -5.6 | 0 | 0 | 0 | 107.7 | |||||
| 432 | Q | 29.8 | Very low | 31.4 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | 67.6 | 102.1 | 95.4 | -68.4 | -159.2 | -4.4 | 0 | 0 | 115.3 | |||||
| 433 | D | 33.2 | Very low | 31.3 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -172.7 | 107 | 130.5 | -92.8 | -18.6 | 0 | 0 | 0 | 106.6 | ||||
| 434 | E | 32.2 | Very low | 31.3 | Very low | 178 Ų | 178 | 154.8 Ų | 154.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | 52.7 | 97.5 | 92.3 | -73.9 | -131.2 | 137.3 | 0 | 0 | 115.2 | |||||
| 435 | F | 32.5 | Very low | 31.7 | Very low | 212 Ų | 212 | 157.2 Ų | 157.2 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | -153.7 | 126.2 | 125.3 | -120.3 | -79 | 0 | 0 | 0 | 110.8 | |||||
| 436 | N | 29.7 | Very low | 31.4 | Very low | 143 Ų | 143 | 158.4 Ų | 158.4 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -146 | 138 | -169 | -171.4 | 1.8 | 0 | 0 | 0 | 111 | ||||
| 437 | R | 32.2 | Very low | 31.3 | Very low | 214 Ų | 214 | 153.6 Ų | 153.6 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | 152.4 | 133.8 | 177 | -87.5 | 146.8 | -162.6 | -154 | 7.1 | 106.5 | ||||
| 438 | N | 32.4 | Very low | 31.2 | Very low | 139 Ų | 139 | 154 Ų | 154 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | cis | -155.1 | 171.1 | 1.9 | -84.9 | -26.4 | 0 | 0 | 0 | 106.7 | ||||
| 439 | C | 28.6 | Very low | 31.4 | Very low | 99 Ų | 99 | 152.9 Ų | 152.9 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | cis | -149.8 | 147.9 | 1 | -128.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 440 | V | 29.1 | Very low | 31.4 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 41.9 | 108.4 | 79.1 | -145.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 441 | I | 30.9 | Very low | 31.6 | Very low | 153 Ų | 153 | 150.7 Ų | 150.7 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | -172.8 | 142.7 | 85.4 | -85.8 | 174.2 | 0 | 0 | 0 | 105.9 | |||||
| 442 | S | 33.3 | Very low | 31.5 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | cis | -158.4 | -162.4 | -3.4 | 45.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 443 | K | 28.5 | Very low | 31.6 | Very low | 191 Ų | 191 | 148.4 Ų | 148.4 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | -139.9 | 151.3 | 170.1 | -76.1 | -178.4 | 177.2 | 176 | 0 | 111.3 | ||||
| 444 | N | 33 | Very low | 31.4 | Very low | 161 Ų | 161 | 146 Ų | 146 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | 153.5 | 143.2 | 157.4 | -79 | -18.3 | 0 | 0 | 0 | 106.1 | ||||
| 445 | E | 37 | Very low | 31.3 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | cis | -118.2 | 153.5 | 14.2 | -54.5 | 171 | 127.5 | 0 | 0 | 109.1 | ||||
| 446 | L | 29.2 | Very low | 31.2 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | cis | 67.9 | 112 | 44.3 | -152.9 | 81.1 | 0 | 0 | 0 | 113.1 | ||||
| 447 | G | 29.1 | Very low | 31.1 | Very low | 59 Ų | 59 | 137 Ų | 137 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | cis | 174.6 | -162.6 | -1.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 448 | K | 32.8 | Very low | 30.8 | Very low | 213 Ų | 213 | 134 Ų | 134 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | trans | 82.8 | 133 | -173.7 | -55.6 | 172 | -176.3 | 174.1 | 0 | 114.5 | ||||
| 449 | S | 31.7 | Very low | 30.7 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | cis | -169.5 | 147.9 | -8 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 450 | I | 31.2 | Very low | 30.6 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | 66.2 | 125.9 | 132.5 | -70.7 | 171.6 | 0 | 0 | 0 | 116.7 | ||||
| 451 | V | 33.6 | Very low | 30.5 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | cis | -161.9 | 160.3 | 8.1 | 92.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 452 | E | 32.6 | Very low | 30.2 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 41.8 | 147.6 | 146.8 | -73.5 | 149.2 | -146.4 | 0 | 0 | 122.5 | ||||
| 453 | S | 32 | Very low | 29.7 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | cis | -169.5 | 168.3 | -6.6 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 454 | S | 28.7 | Very low | 29.6 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 31.9 | 144.8 | 146 | 49.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 455 | S | 29.9 | Very low | 29.3 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | cis | -179.8 | 154.9 | 0.5 | 46.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 456 | V | 29.7 | Very low | 28.7 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | 65.7 | 103.2 | 140.5 | 172.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 457 | T | 27 | Very low | 28.5 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | trans | 7.8 | 130.2 | 138.4 | 55.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 458 | D | 27 | Very low | 28.3 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | -177.6 | 173.4 | 95.3 | -110.7 | -28.4 | 0 | 0 | 0 | 114.2 | |||||
| 459 | L | 29.7 | Very low | 28 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | trans | 99.6 | 90 | 164.6 | -61.4 | 167.6 | 0 | 0 | 0 | 121.1 | ||||
| 460 | K | 25.9 | Very low | 27.8 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | 35.7 | 114.1 | 122.9 | -62.5 | -173.8 | 178.8 | -175.7 | 0 | 121.4 | |||||
| 461 | S | 26.9 | Very low | 27.7 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 45.2 | 84.4 | 134 | 66.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 462 | S | 24.9 | Very low | 27.9 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | -160.1 | 163.4 | 145.5 | -83.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 463 | G | 24.4 | Very low | 28.4 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | trans | -77.8 | 158.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 464 | L | 26.1 | Very low | 29 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | trans | -122.5 | 78.2 | 166.5 | -84.8 | 172.3 | 0 | 0 | 0 | 111 | A466 | L464-A466 HydrophobicContact CD2-CB 4.08Å; L464-A466 PolarHBondContact O-N 3.4Å | ||
| 465 | I | 26.9 | Very low | 29.7 | Very low | 188 Ų | 188 | 127 Ų | 127 | 96% | 0.964 | 73% | 0.727 | S | S | * | * | trans | -85.7 | 77.8 | 142.8 | -62.5 | 170.8 | 0 | 0 | 0 | 106.7 | ||||
| 466 | A | 24.5 | Very low | 30.4 | Very low | 76 Ų | 76 | 126.2 Ų | 126.2 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | trans | -163.9 | 143.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | L464 | L464-A466 HydrophobicContact CD2-CB 4.08Å; L464-A466 PolarHBondContact O-N 3.4Å | ||
| 467 | G | 24.8 | Very low | 30.9 | Very low | 65 Ų | 65 | 121.2 Ų | 121.2 | 67% | 0.67 | 69% | 0.688 | S | S | * | * | cis | 157.2 | 36.4 | 5.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K469 | G467-K469 PolarHBondContact O-N 3.12Š| ||
| 468 | E | 24.2 | Very low | 31.6 | Very low | 192 Ų | 192 | 121.3 Ų | 121.3 | 90% | 0.897 | 68% | 0.676 | S | S | * | * | trans | -60 | 123.7 | 170.4 | -73.2 | -157.9 | 138.8 | 0 | 0 | 108.7 | M470 | E468-M470 PolarHBondContact O-N 2.85Š| ||
| 469 | K | 25.8 | Very low | 32.3 | Very low | 206 Ų | 206 | 115.7 Ų | 115.7 | 90% | 0.896 | 65% | 0.651 | S | S | * | * | trans | -70.1 | 74 | 170.2 | -71.9 | 179.2 | 177.2 | 175.1 | 0 | 108.8 | G467 S471 | G467-K469 PolarHBondContact O-N 3.12Å; K469-S471 PolarHBondContact O-N 2.85Å | ||
| 470 | M | 28.3 | Very low | 33.1 | Very low | 166 Ų | 166 | 109.6 Ų | 109.6 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | trans | -60.1 | 105.5 | 171.7 | -158.3 | -179.7 | -162.6 | 0 | 0 | 106.9 | E468 S472 | E468-M470 PolarHBondContact O-N 2.85Å; M470-S472 PolarHBondContact O-N 3.47Å | ||
| 471 | S | 28.3 | Very low | 34 | Very low | 99 Ų | 99 | 103.6 Ų | 103.6 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | trans | -72 | 71.2 | -176.7 | 166.5 | 0 | 0 | 0 | 0 | 109.8 | K469 R473 | K469-S471 PolarHBondContact O-N 2.85Å; S471-R473 VanDerWaalsContact C-N 3.28Å; S471-R473 PolarHBondContact O-N 2.84Å | ||
| 472 | S | 37.4 | Very low | 34.6 | Very low | 77 Ų | 77 | 102.9 Ų | 102.9 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | trans | -67 | 84.1 | -178.8 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | M470 T474 | M470-S472 PolarHBondContact O-N 3.47Å; S472-T474 PolarHBondContact O-N 3.03Å | ||
| 473 | R | 43.1 | Very low | 35.4 | Very low | 211 Ų | 211 | 98.6 Ų | 98.6 | 80% | 0.796 | 55% | 0.551 | S | S | * | * | trans | -72.1 | 59.1 | 166.9 | -75.9 | -173.7 | 169.2 | -172.1 | -2.5 | 110.4 | S471 T475 | S471-R473 VanDerWaalsContact C-N 3.28Å; S471-R473 PolarHBondContact O-N 2.84Å; R473-T475 PolarHBondContact O-N 3.43Å | ||
| 474 | T | 44.7 | Very low | 36.2 | Very low | 41 Ų | 41 | 99.3 Ų | 99.3 | 25% | 0.252 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 117.9 | 153.4 | 50.4 | 0 | 0 | 0 | 0 | 106.4 | S472 | S472-T474 PolarHBondContact O-N 3.03Š|
| 475 | T | 43.9 | Very low | 36.7 | Very low | 42 Ų | 42 | 93.4 Ų | 93.4 | 26% | 0.258 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 130.6 | 169.1 | 44.4 | 0 | 0 | 0 | 0 | 108.1 | E301 R473 Q480 L483 | E301-T475 WeakPolarHBondContact OE2-CB 3.38Å; E301-T475 PolarHBondContact OE2-N 3.49Å; E301-T475 PolarHBondContact OE2-OG1 2.61Å; R473-T475 PolarHBondContact O-N 3.43Å; T475-Q480 WeakPolarHBondContact OG1-CG 3.42Å; T475-L483 HydrophobicContact CG2-CD1 4.18Å |
| 476 | P | 44.5 | Very low | 37.3 | Very low | 87 Ų | 87 | 86.6 Ų | 86.6 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -51 | 150.6 | -179.5 | -30.1 | 34.9 | 0 | 0 | 0 | 111.2 | W478 A479 Q480 | P476-W478 PolarHBondContact O-N 3.18Å; P476-W478 VanDerWaalsContact O-N 3.11Å; P476-A479 HydrophobicContact CB-CB 4.24Å; P476-A479 HydrophobicContact CG-CB 4.42Å; P476-A479 CarbonylContact O-C 3.49Å; P476-A479 VanDerWaalsContact O-CA 3.28Å; P476-A479 WeakPolarHBondContact O-CA 3.35Å; P476-A479 VanDerWaalsContact O-CB 3.28Å; P476-A479 WeakPolarHBondContact O-CB 3.28Å; P476-A479 PolarHBondContact O-N 3.42Å; P476-Q480 PolarHBondContact O-N 3.19Å |
| 477 | F | 40.3 | Very low | 37.9 | Very low | 22 Ų | 22 | 90.6 Ų | 90.6 | 10% | 0.096 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -47.1 | -48 | -178.5 | 171.6 | -119.1 | 0 | 0 | 0 | 112.5 | T280 F281 L291 A479 Q480 V481 | T280-F477 HydrophobicContact CG2-CB 4.24Å; F281-F477 HydrophobicContact CE1-CD2 4.08Å; F281-F477 HydrophobicContact CE1-CE2 4.15Å; L291-F477 HydrophobicContact CD1-CE2 3.41Å; L291-F477 VanDerWaalsContact CD1-CE2 3.41Å; L291-F477 HydrophobicContact CD1-CZ 3.72Å; L291-F477 HydrophobicContact CD2-CE2 3.79Å; L291-F477 HydrophobicContact CD2-CZ 4.21Å; L291-F477 HydrophobicContact CG-CE2 4.24Å; F477-A479 VanDerWaalsContact C-N 3.3Å; F477-A479 PolarHBondContact O-N 3.3Å; F477-Q480 PolarHBondContact O-N 2.83Å; F477-V481 HydrophobicContact CD2-CG2 4.42Å; F477-V481 HydrophobicContact CE2-CG2 3.95Å; F477-V481 HydrophobicContact CZ-CG2 4.11Å; F477-V481 WeakPolarHBondContact O-CG2 3.25Å; F477-V481 PolarHBondContact O-N 3.1Å; F477-V481 VanDerWaalsContact O-N 3.08Å |
| 478 | W | 42.4 | Very low | 38.5 | Very low | 115 Ų | 115 | 99.2 Ų | 99.2 | 44% | 0.436 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -27.9 | 174.8 | -57.1 | 112.3 | 0 | 0 | 0 | 114.3 | P476 N482 W509 | P476-W478 PolarHBondContact O-N 3.18Å; P476-W478 VanDerWaalsContact O-N 3.11Å; W478-N482 WeakPolarHBondContact O-CB 3.4Å; W478-N482 PolarHBondContact O-N 2.94Å; W478-N482 PolarHBondContact O-ND2 2.88Å; W478-W509 AromaticContact CH2-CH2 3.43Å; W478-W509 HydrophobicContact CH2-CH2 3.43Å; W478-W509 VanDerWaalsContact CH2-CH2 3.43Å; W478-W509 AromaticContact CH2-CZ2 3.83Å; W478-W509 HydrophobicContact CH2-CZ2 3.83Å; W478-W509 AromaticContact CZ2-CH2 3.85Å; W478-W509 HydrophobicContact CZ2-CH2 3.85Å; W478-W509 HydrophobicContact CZ2-CZ2 4.39Å; W478-W509 AromaticContact CZ3-CH2 3.84Å; W478-W509 HydrophobicContact CZ3-CH2 3.84Å; W478-W509 HydrophobicContact CZ3-CZ2 4.47Å |
| 479 | A | 41.3 | Very low | 39.1 | Very low | 35 Ų | 35 | 95.3 Ų | 95.3 | 29% | 0.289 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -75.6 | -37.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P476 F477 N482 L483 | P476-A479 HydrophobicContact CB-CB 4.24Å; P476-A479 HydrophobicContact CG-CB 4.42Å; P476-A479 CarbonylContact O-C 3.49Å; P476-A479 VanDerWaalsContact O-CA 3.28Å; P476-A479 WeakPolarHBondContact O-CA 3.35Å; P476-A479 VanDerWaalsContact O-CB 3.28Å; P476-A479 WeakPolarHBondContact O-CB 3.28Å; P476-A479 PolarHBondContact O-N 3.42Å; F477-A479 VanDerWaalsContact C-N 3.3Å; F477-A479 PolarHBondContact O-N 3.3Å; A479-N482 PolarHBondContact O-N 3.44Å; A479-L483 VanDerWaalsContact O-CB 3.3Å; A479-L483 WeakPolarHBondContact O-CB 3.26Å; A479-L483 WeakPolarHBondContact O-CD1 3.42Å; A479-L483 WeakPolarHBondContact O-CG 3.42Å; A479-L483 PolarHBondContact O-N 3.46Å |
| 480 | Q | 47.1 | Very low | 39.6 | Very low | 24 Ų | 24 | 92.4 Ų | 92.4 | 11% | 0.112 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 170.5 | -71.1 | -176.6 | -23.5 | 0 | 0 | 110.4 | E301 T475 P476 F477 N482 L483 F484 | E301-Q480 PolarHBondContact OE1-NE2 3.45Å; T475-Q480 WeakPolarHBondContact OG1-CG 3.42Å; P476-Q480 PolarHBondContact O-N 3.19Å; F477-Q480 PolarHBondContact O-N 2.83Å; Q480-N482 PolarHBondContact O-N 2.94Å; Q480-L483 PolarHBondContact O-N 3.03Å; Q480-F484 WeakPolarHBondContact O-CD2 3.32Å; Q480-F484 WeakPolarHBondContact O-CE2 3.4Å |
| 481 | V | 44.2 | Very low | 39.6 | Very low | 62 Ų | 62 | 95.2 Ų | 95.2 | 38% | 0.376 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 173.7 | 177.2 | 0 | 0 | 0 | 0 | 112 | F477 F484 A485 | F477-V481 HydrophobicContact CD2-CG2 4.42Å; F477-V481 HydrophobicContact CE2-CG2 3.95Å; F477-V481 HydrophobicContact CZ-CG2 4.11Å; F477-V481 WeakPolarHBondContact O-CG2 3.25Å; F477-V481 PolarHBondContact O-N 3.1Å; F477-V481 VanDerWaalsContact O-N 3.08Å; V481-F484 PolarHBondContact O-N 3.11Å; V481-A485 PolarHBondContact O-N 3Å |
| 482 | N | 39.8 | Very low | 39.7 | Very low | 94 Ų | 94 | 100.8 Ų | 100.8 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -77.6 | -21.6 | -178.3 | -82.5 | -66.4 | 0 | 0 | 0 | 115.2 | W478 A479 Q480 F484 A485 S486 | W478-N482 WeakPolarHBondContact O-CB 3.4Å; W478-N482 PolarHBondContact O-N 2.94Å; W478-N482 PolarHBondContact O-ND2 2.88Å; A479-N482 PolarHBondContact O-N 3.44Å; Q480-N482 PolarHBondContact O-N 2.94Å; N482-F484 PolarHBondContact O-N 3.48Å; N482-A485 PolarHBondContact O-N 3.01Å; N482-S486 PolarHBondContact O-N 2.85Å; N482-S486 VanDerWaalsContact O-N 3.11Å |
| 483 | L | 40.6 | Very low | 39.3 | Very low | 37 Ų | 37 | 102.3 Ų | 102.3 | 19% | 0.194 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.5 | -26.9 | 173.7 | -85.1 | 159.9 | 0 | 0 | 0 | 111.7 | V308 T475 A479 Q480 | V308-L483 HydrophobicContact CG2-CB 4.44Å; V308-L483 HydrophobicContact CG2-CD1 3.58Å; V308-L483 HydrophobicContact CG2-CD2 3.77Å; V308-L483 HydrophobicContact CG2-CG 4.14Å; T475-L483 HydrophobicContact CG2-CD1 4.18Å; A479-L483 VanDerWaalsContact O-CB 3.3Å; A479-L483 WeakPolarHBondContact O-CB 3.26Å; A479-L483 WeakPolarHBondContact O-CD1 3.42Å; A479-L483 WeakPolarHBondContact O-CG 3.42Å; A479-L483 PolarHBondContact O-N 3.46Å; Q480-L483 PolarHBondContact O-N 3.03Å |
| 484 | F | 41.2 | Very low | 38.4 | Very low | 92 Ų | 92 | 98.1 Ų | 98.1 | 40% | 0.404 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -93 | -20.4 | 171.7 | -54.9 | -54.4 | 0 | 0 | 0 | 114 | A307 S311 Q480 V481 N482 | A307-F484 HydrophobicContact CB-CZ 4.33Å; S311-F484 WeakPolarHBondContact OG-CE1 3.31Å; Q480-F484 WeakPolarHBondContact O-CD2 3.32Å; Q480-F484 WeakPolarHBondContact O-CE2 3.4Å; V481-F484 PolarHBondContact O-N 3.11Å; N482-F484 PolarHBondContact O-N 3.48Å |
| 485 | A | 37.4 | Very low | 37.7 | Very low | 30 Ų | 30 | 101.3 Ų | 101.3 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -83.9 | -17.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V481 N482 Q487 R490 | V481-A485 PolarHBondContact O-N 3Å; N482-A485 PolarHBondContact O-N 3.01Å; A485-Q487 PolarHBondContact O-N 2.8Å; A485-R490 PolarHBondContact O-NE 2.94Å; A485-R490 VanDerWaalsContact O-NE 3.14Å; A485-R490 PolarHBondContact O-NH1 3Å |
| 486 | S | 40.1 | Very low | 37 | Very low | 45 Ų | 45 | 101.2 Ų | 101.2 | 32% | 0.315 | 48% | 0.482 | S | S | . | . | trans | -65.9 | 124.7 | -169 | 67.6 | 0 | 0 | 0 | 0 | 115.4 | N482 R488 R489 R490 | N482-S486 PolarHBondContact O-N 2.85Å; N482-S486 VanDerWaalsContact O-N 3.11Å; S486-R488 VanDerWaalsContact C-N 3.27Å; S486-R488 PolarHBondContact O-N 3.05Å; S486-R488 VanDerWaalsContact O-N 3.12Å; S486-R489 PolarHBondContact O-N 3.44Å; S486-R490 PolarHBondContact O-N 2.94Å | ||
| 487 | Q | 36.9 | Very low | 36.5 | Very low | 160 Ų | 160 | 100.5 Ų | 100.5 | 75% | 0.748 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.7 | -176.7 | -83.9 | -178.7 | -33.9 | 0 | 0 | 114.9 | A485 R489 | A485-Q487 PolarHBondContact O-N 2.8Å; Q487-R489 VanDerWaalsContact C-N 3.34Å |
| 488 | R | 36.5 | Very low | 36.2 | Very low | 246 Ų | 246 | 101.1 Ų | 101.1 | 93% | 0.928 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18.8 | 179 | -79.2 | -177.5 | 172.4 | 171.7 | -2.7 | 113.8 | S486 | S486-R488 VanDerWaalsContact C-N 3.27Å; S486-R488 PolarHBondContact O-N 3.05Å; S486-R488 VanDerWaalsContact O-N 3.12Å |
| 489 | R | 38.1 | Very low | 36.1 | Very low | 111 Ų | 111 | 100.3 Ų | 100.3 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -27.5 | 176.8 | -66.9 | -175.7 | 178.8 | -172.9 | 3.2 | 113.1 | S486 Q487 R491 R492 | S486-R489 PolarHBondContact O-N 3.44Å; Q487-R489 VanDerWaalsContact C-N 3.34Å; R489-R491 PolarHBondContact O-N 3.39Å; R489-R492 PolarHBondContact O-N 2.81Å |
| 490 | R | 35.2 | Very low | 35.9 | Very low | 145 Ų | 145 | 107.5 Ų | 107.5 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 10.1 | 176.7 | -73.5 | 177.6 | 167.8 | 170.5 | -6.3 | 116.8 | A485 S486 | A485-R490 PolarHBondContact O-NE 2.94Å; A485-R490 VanDerWaalsContact O-NE 3.14Å; A485-R490 PolarHBondContact O-NH1 3Å; S486-R490 PolarHBondContact O-N 2.94Å |
| 491 | R | 29.1 | Very low | 35.4 | Very low | 225 Ų | 225 | 112.2 Ų | 112.2 | 85% | 0.849 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 10.2 | 179.1 | -76.4 | -171.6 | 173.3 | -177.1 | -2 | 114.6 | R489 | R489-R491 PolarHBondContact O-N 3.39Š|
| 492 | R | 29.2 | Very low | 35.2 | Very low | 215 Ų | 215 | 112.2 Ų | 112.2 | 81% | 0.811 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -136.7 | 9.4 | -178.9 | -66.2 | -168.9 | -175 | 176.7 | 2.6 | 115.6 | K314 R489 | K314-R492 PolarHBondContact NZ-O 2.82Å; R489-R492 PolarHBondContact O-N 2.81Å |
| 493 | V | 28.8 | Very low | 35 | Very low | 110 Ų | 110 | 117 Ų | 117 | 67% | 0.667 | 54% | 0.537 | S | S | * | . | trans | -143.7 | 125.5 | 173.1 | -176.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 494 | T | 25.5 | Very low | 35.2 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 76% | 0.755 | 55% | 0.554 | S | S | * | * | trans | -140 | 74.8 | -167.6 | 47 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 495 | V | 29.6 | Very low | 35.5 | Very low | 107 Ų | 107 | 119 Ų | 119 | 65% | 0.648 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -153.9 | 117.4 | 139.1 | -148.6 | 0 | 0 | 0 | 0 | 102.5 | E1023 | V495-E1023 HydrophobicContact CG1-CG 4.35Š|
| 496 | D | 29.8 | Very low | 35.7 | Very low | 41 Ų | 41 | 121.6 Ų | 121.6 | 22% | 0.219 | 56% | 0.564 | C | S | . | * | cis | -154.4 | 159.6 | -5.6 | -143.9 | -97.9 | 0 | 0 | 0 | 115 | T1021 Y1022 E1023 | D496-T1021 VanDerWaalsContact OD1-CB 3.3Å; D496-T1021 WeakPolarHBondContact OD1-CB 3.44Å; D496-T1021 PolarHBondContact OD1-OG1 2.84Å; D496-Y1022 VanDerWaalsContact CG-CB 3.46Å; D496-Y1022 WeakPolarHBondContact OD1-CB 3.41Å; D496-Y1022 PolarHBondContact OD1-N 2.86Å; D496-Y1022 WeakPolarHBondContact OD2-CB 3.43Å; D496-E1023 HydrophobicContact CB-CB 3.5Å; D496-E1023 HydrophobicContact CB-CG 3.38Å; D496-E1023 WeakPolarHBondContact CB-OE1 3.49Å; D496-E1023 VanDerWaalsContact CG-N 3.3Å; D496-E1023 PolarHBondContact N-OE1 2.81Å; D496-E1023 PolarHBondContact OD1-N 3.43Å | ||
| 497 | P | 34 | Very low | 35.9 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | trans | -89.7 | 4.4 | 178.7 | -12.9 | 25.7 | 0 | 0 | 0 | 123.6 | R500 T1021 | P497-R500 WeakPolarHBondContact O-CG 3.11Å; P497-T1021 VanDerWaalsContact CA-OG1 3.24Å; P497-T1021 WeakPolarHBondContact CA-OG1 3.43Å; P497-T1021 HydrophobicContact CB-CG2 3.78Å; P497-T1021 WeakPolarHBondContact CB-OG1 3.24Å; P497-T1021 WeakPolarHBondContact CD-OG1 3.4Å; P497-T1021 HydrophobicContact CG-CG2 3.97Å; P497-T1021 VanDerWaalsContact N-OG1 3.12Å | ||
| 498 | R | 33.3 | Very low | 36.2 | Very low | 35 Ų | 35 | 124.7 Ų | 124.7 | 13% | 0.132 | 57% | 0.571 | C | S | . | * | trans | -88.1 | -30.4 | -163 | -172.9 | -175.5 | -92.4 | 148 | -11.5 | 116.2 | R500 P1020 T1021 Y1022 D1024 D1025 | R498-R500 PolarHBondContact O-N 3.02Å; R498-P1020 HydrophobicContact CG-CB 4.2Å; R498-P1020 VanDerWaalsContact CZ-C 3.46Å; R498-P1020 PolarHBondContact NE-O 3.45Å; R498-P1020 VanDerWaalsContact NH2-C 3.33Å; R498-P1020 PolarHBondContact NH2-O 3.26Å; R498-T1021 WeakPolarHBondContact CB-O 3.39Å; R498-T1021 WeakPolarHBondContact CB-OG1 3.49Å; R498-T1021 WeakPolarHBondContact CD-O 3.33Å; R498-T1021 WeakPolarHBondContact CG-O 3.22Å; R498-T1021 PolarHBondContact N-OG1 2.82Å; R498-T1021 VanDerWaalsContact NE-C 3.32Å; R498-T1021 PolarHBondContact NE-O 2.88Å; R498-T1021 PolarHBondContact NH1-O 3.06Å; R498-Y1022 VanDerWaalsContact NH1-CA 3.34Å; R498-Y1022 PolarHBondContact NH1-O 2.95Å; R498-D1024 HydrophobicContact CB-CB 4.4Å; R498-D1024 VanDerWaalsContact CB-OD1 3.28Å; R498-D1024 WeakPolarHBondContact CB-OD1 3.17Å; R498-D1024 HydrophobicContact CG-CB 3.89Å; R498-D1024 VanDerWaalsContact CG-CG 3.42Å; R498-D1024 WeakPolarHBondContact CG-OD2 3.48Å; R498-D1025 IonicContact CZ-OD1 3.6Å; R498-D1025 IonicContact CZ-OD2 3.92Å; R498-D1025 IonicContact NE-OD1 3.28Å; R498-D1025 PolarHBondContact NE-OD1 2.72Å; R498-D1025 IonicContact NE-OD2 3.8Å; R498-D1025 IonicContact NH1-OD1 3.03Å; R498-D1025 PolarHBondContact NH1-OD1 2.83Å; R498-D1025 IonicContact NH1-OD2 3.25Å; R498-D1025 PolarHBondContact NH1-OD2 3Å; R498-D1025 IonicContact NH2-OD1 3.84Å; R498-D1025 IonicContact NH2-OD2 2.67Å; R498-D1025 PolarHBondContact NH2-OD2 2.71Å | ||
| 499 | H | 40.5 | Very low | 36.4 | Very low | 98 Ų | 98 | 118.8 Ų | 118.8 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | trans | -66.3 | 48.4 | 166.3 | -72.7 | -34.6 | 0 | 0 | 0 | 114.8 | I501 D1024 R1027 | H499-I501 PolarHBondContact O-N 3.42Å; H499-D1024 IonicContact CD2-OD1 3.43Å; H499-D1024 IonicContact CE1-OD1 3.99Å; H499-D1024 PolarHBondContact CE1-OD1 3Å; H499-D1024 IonicContact CE1-OD2 2.72Å; H499-D1024 PolarHBondContact CE1-OD2 3.03Å; H499-D1024 VanDerWaalsContact CE1-OD2 3.22Å; H499-D1024 IonicContact CG-OD1 2.69Å; H499-D1024 IonicContact CG-OD2 3.33Å; H499-D1024 PolarHBondContact N-OD1 3.38Å; H499-D1024 PolarHBondContact N-OD2 3.48Å; H499-D1024 IonicContact ND1-OD1 3.37Å; H499-D1024 PolarHBondContact ND1-OD1 2.85Å; H499-D1024 IonicContact ND1-OD2 3.21Å; H499-D1024 PolarHBondContact ND1-OD2 2.75Å; H499-D1024 IonicContact NE2-OD1 3.48Å; H499-R1027 VanDerWaalsContact NE2-CZ 3.32Å; H499-R1027 PolarHBondContact NE2-NH1 2.82Å; H499-R1027 PolarHBondContact NE2-NH2 3.45Å | ||
| 500 | R | 36.4 | Very low | 36.5 | Very low | 186 Ų | 186 | 115 Ų | 115 | 70% | 0.702 | 54% | 0.542 | S | S | * | . | trans | -78.6 | 101.3 | 171.6 | -83.1 | -176.3 | -177.6 | -168.5 | 6.9 | 110.8 | P497 R498 P502 | P497-R500 WeakPolarHBondContact O-CG 3.11Å; R498-R500 PolarHBondContact O-N 3.02Å; R500-P502 WeakPolarHBondContact O-CD 3.2Å | ||
| 501 | I | 37.1 | Very low | 36.8 | Very low | 123 Ų | 123 | 113.8 Ų | 113.8 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | trans | -55.9 | 124.8 | 157.7 | -52.6 | 176.1 | 0 | 0 | 0 | 107.9 | H499 D505 I506 | H499-I501 PolarHBondContact O-N 3.42Å; I501-D505 HydrophobicContact CG2-CB 4.3Å; I501-I506 HydrophobicContact CB-CD1 4.29Å; I501-I506 HydrophobicContact CB-CG1 4.27Å; I501-I506 HydrophobicContact CG2-CD1 4.3Å; I501-I506 HydrophobicContact CG2-CG1 3.74Å | ||
| 502 | P | 39.1 | Very low | 37.2 | Very low | 62 Ų | 62 | 113.2 Ų | 113.2 | 40% | 0.403 | 54% | 0.54 | S | S | . | . | trans | -59 | 146.4 | 179.8 | -27.5 | 36.3 | 0 | 0 | 0 | 113 | R500 T504 D505 I506 | R500-P502 WeakPolarHBondContact O-CD 3.2Å; P502-T504 WeakPolarHBondContact CB-OG1 3.45Å; P502-T504 PolarHBondContact O-N 2.9Å; P502-D505 HydrophobicContact CB-CB 4.39Å; P502-D505 WeakPolarHBondContact CD-OD2 3.44Å; P502-D505 VanDerWaalsContact CG-OD2 3.3Å; P502-D505 WeakPolarHBondContact CG-OD2 3.37Å; P502-D505 PolarHBondContact O-N 3.09Å; P502-I506 PolarHBondContact O-N 3.41Å | ||
| 503 | R | 37.6 | Very low | 37.7 | Very low | 196 Ų | 196 | 108.3 Ų | 108.3 | 74% | 0.74 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -31.3 | 177.8 | -174.2 | 173.9 | 179.8 | 150.8 | 0.6 | 111.9 | D505 F507 | R503-D505 VanDerWaalsContact C-N 3.27Å; R503-D505 PolarHBondContact O-N 3.47Å; R503-F507 HydrophobicContact CG-CD2 4.06Å; R503-F507 HydrophobicContact CG-CE2 4.27Å; R503-F507 WeakPolarHBondContact O-CB 3.04Å; R503-F507 WeakPolarHBondContact O-CD2 3.22Å; R503-F507 PolarHBondContact O-N 3.37Å; R503-F507 VanDerWaalsContact O-N 3.14Å |
| 504 | T | 43.5 | Very low | 38.1 | Very low | 89 Ų | 89 | 110.3 Ų | 110.3 | 55% | 0.546 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.5 | -40.4 | 171.8 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | P502 F507 H508 | P502-T504 WeakPolarHBondContact CB-OG1 3.45Å; P502-T504 PolarHBondContact O-N 2.9Å; T504-F507 PolarHBondContact O-N 2.84Å; T504-H508 WeakPolarHBondContact O-CB 3.44Å; T504-H508 PolarHBondContact O-N 3.1Å |
| 505 | D | 48.7 | Very low | 38.6 | Very low | 81 Ų | 81 | 114.7 Ų | 114.7 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -85.7 | -36.8 | -166.6 | -54.2 | 0.5 | 0 | 0 | 0 | 109.9 | I501 P502 R503 F507 H508 W509 | I501-D505 HydrophobicContact CG2-CB 4.3Å; P502-D505 HydrophobicContact CB-CB 4.39Å; P502-D505 WeakPolarHBondContact CD-OD2 3.44Å; P502-D505 VanDerWaalsContact CG-OD2 3.3Å; P502-D505 WeakPolarHBondContact CG-OD2 3.37Å; P502-D505 PolarHBondContact O-N 3.09Å; R503-D505 VanDerWaalsContact C-N 3.27Å; R503-D505 PolarHBondContact O-N 3.47Å; D505-F507 VanDerWaalsContact C-N 3.3Å; D505-F507 PolarHBondContact O-N 3.45Å; D505-H508 PolarHBondContact O-N 3.22Å; D505-W509 WeakPolarHBondContact O-CB 3.15Å; D505-W509 PolarHBondContact O-N 3.18Å |
| 506 | I | 41.8 | Very low | 38.9 | Very low | 85 Ų | 85 | 113.6 Ų | 113.6 | 44% | 0.436 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 166.4 | -61.6 | 171.2 | 0 | 0 | 0 | 110.3 | I501 P502 A510 | I501-I506 HydrophobicContact CB-CD1 4.29Å; I501-I506 HydrophobicContact CB-CG1 4.27Å; I501-I506 HydrophobicContact CG2-CD1 4.3Å; I501-I506 HydrophobicContact CG2-CG1 3.74Å; P502-I506 PolarHBondContact O-N 3.41Å; I506-A510 WeakPolarHBondContact O-CB 3.25Å; I506-A510 PolarHBondContact O-N 2.86Å |
| 507 | F | 43 | Very low | 39 | Very low | 126 Ų | 126 | 116.7 Ų | 116.7 | 55% | 0.553 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.3 | -41.2 | 176.4 | -93.4 | -98.4 | 0 | 0 | 0 | 112.5 | R503 T504 D505 W509 A510 H511 | R503-F507 HydrophobicContact CG-CD2 4.06Å; R503-F507 HydrophobicContact CG-CE2 4.27Å; R503-F507 WeakPolarHBondContact O-CB 3.04Å; R503-F507 WeakPolarHBondContact O-CD2 3.22Å; R503-F507 PolarHBondContact O-N 3.37Å; R503-F507 VanDerWaalsContact O-N 3.14Å; T504-F507 PolarHBondContact O-N 2.84Å; D505-F507 VanDerWaalsContact C-N 3.3Å; D505-F507 PolarHBondContact O-N 3.45Å; F507-W509 VanDerWaalsContact C-N 3.32Å; F507-W509 PolarHBondContact O-N 3.11Å; F507-A510 PolarHBondContact O-N 2.77Å; F507-H511 WeakPolarHBondContact O-CB 3.33Å; F507-H511 PolarHBondContact O-N 3Å |
| 508 | H | 44.3 | Very low | 38.7 | Very low | 144 Ų | 144 | 119.8 Ų | 119.8 | 67% | 0.667 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.6 | -37.2 | 175.7 | -104.3 | -76.2 | 0 | 0 | 0 | 112.5 | T504 D505 R512 | T504-H508 WeakPolarHBondContact O-CB 3.44Å; T504-H508 PolarHBondContact O-N 3.1Å; D505-H508 PolarHBondContact O-N 3.22Å; H508-R512 WeakPolarHBondContact O-CB 3.49Å; H508-R512 PolarHBondContact O-N 3.13Å |
| 509 | W | 40.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 46% | 0.462 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.7 | -53.4 | 173.7 | 176.9 | 87.8 | 0 | 0 | 0 | 110.7 | W478 D505 F507 H511 R512 F513 | W478-W509 AromaticContact CH2-CH2 3.43Å; W478-W509 HydrophobicContact CH2-CH2 3.43Å; W478-W509 VanDerWaalsContact CH2-CH2 3.43Å; W478-W509 AromaticContact CH2-CZ2 3.83Å; W478-W509 HydrophobicContact CH2-CZ2 3.83Å; W478-W509 AromaticContact CZ2-CH2 3.85Å; W478-W509 HydrophobicContact CZ2-CH2 3.85Å; W478-W509 HydrophobicContact CZ2-CZ2 4.39Å; W478-W509 AromaticContact CZ3-CH2 3.84Å; W478-W509 HydrophobicContact CZ3-CH2 3.84Å; W478-W509 HydrophobicContact CZ3-CZ2 4.47Å; D505-W509 WeakPolarHBondContact O-CB 3.15Å; D505-W509 PolarHBondContact O-N 3.18Å; F507-W509 VanDerWaalsContact C-N 3.32Å; F507-W509 PolarHBondContact O-N 3.11Å; W509-H511 VanDerWaalsContact C-N 3.32Å; W509-H511 PolarHBondContact O-N 3.07Å; W509-R512 WeakPolarHBondContact O-CB 3.4Å; W509-R512 PolarHBondContact O-N 3.23Å; W509-R512 VanDerWaalsContact O-N 3.15Å; W509-F513 HydrophobicContact CD2-CD2 4.44Å; W509-F513 AromaticContact CE2-CE2 3.88Å; W509-F513 HydrophobicContact CZ2-CD2 4.43Å; W509-F513 HydrophobicContact CZ2-CE2 4.21Å; W509-F513 AromaticContact NE1-CE2 3.62Å; W509-F513 WeakPolarHBondContact O-CD2 3.24Å; W509-F513 PolarHBondContact O-N 2.81Å |
| 510 | A | 39.6 | Very low | 38.2 | Very low | 32 Ų | 32 | 127.4 Ų | 127.4 | 26% | 0.264 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.2 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I506 F507 R512 F513 H514 | I506-A510 WeakPolarHBondContact O-CB 3.25Å; I506-A510 PolarHBondContact O-N 2.86Å; F507-A510 PolarHBondContact O-N 2.77Å; A510-R512 VanDerWaalsContact C-N 3.28Å; A510-R512 PolarHBondContact O-N 3.42Å; A510-F513 PolarHBondContact O-N 3.42Å; A510-H514 PolarHBondContact O-CD2 2.95Å; A510-H514 PolarHBondContact O-N 3.43Å |
| 511 | H | 41.7 | Very low | 37.9 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 55% | 0.551 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.2 | -16.8 | -179 | -149.5 | -37.1 | 0 | 0 | 0 | 113.3 | F507 W509 | F507-H511 WeakPolarHBondContact O-CB 3.33Å; F507-H511 PolarHBondContact O-N 3Å; W509-H511 VanDerWaalsContact C-N 3.32Å; W509-H511 PolarHBondContact O-N 3.07Å |
| 512 | R | 38.5 | Very low | 37.6 | Very low | 212 Ų | 212 | 124.4 Ų | 124.4 | 80% | 0.8 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.7 | -48.4 | 166.5 | -112.2 | 177.5 | 173.1 | 161.4 | -2.4 | 111.2 | H508 W509 A510 H514 R515 | H508-R512 WeakPolarHBondContact O-CB 3.49Å; H508-R512 PolarHBondContact O-N 3.13Å; W509-R512 WeakPolarHBondContact O-CB 3.4Å; W509-R512 PolarHBondContact O-N 3.23Å; W509-R512 VanDerWaalsContact O-N 3.15Å; A510-R512 VanDerWaalsContact C-N 3.28Å; A510-R512 PolarHBondContact O-N 3.42Å; R512-H514 PolarHBondContact O-N 3.09Å; R512-R515 PolarHBondContact O-N 3.48Å |
| 513 | F | 38.8 | Very low | 37.1 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 49% | 0.491 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.6 | -30.8 | 179.9 | -83 | -83 | 0 | 0 | 0 | 113.5 | W509 A510 R515 S516 | W509-F513 HydrophobicContact CD2-CD2 4.44Å; W509-F513 AromaticContact CE2-CE2 3.88Å; W509-F513 HydrophobicContact CZ2-CD2 4.43Å; W509-F513 HydrophobicContact CZ2-CE2 4.21Å; W509-F513 AromaticContact NE1-CE2 3.62Å; W509-F513 WeakPolarHBondContact O-CD2 3.24Å; W509-F513 PolarHBondContact O-N 2.81Å; A510-F513 PolarHBondContact O-N 3.42Å; F513-R515 PolarHBondContact O-N 3.25Å; F513-S516 PolarHBondContact O-OG 3.43Å |
| 514 | H | 37.7 | Very low | 36.6 | Very low | 153 Ų | 153 | 131.3 Ų | 131.3 | 71% | 0.708 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 1.6 | 177.2 | -91.4 | -64.3 | 0 | 0 | 0 | 115.9 | A510 R512 | A510-H514 PolarHBondContact O-CD2 2.95Å; A510-H514 PolarHBondContact O-N 3.43Å; R512-H514 PolarHBondContact O-N 3.09Å |
| 515 | R | 35.9 | Very low | 35.9 | Very low | 215 Ų | 215 | 133.9 Ų | 133.9 | 81% | 0.811 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | -5.2 | -178.9 | -78 | -168.7 | 171.2 | -162 | -0.7 | 115.9 | R512 F513 | R512-R515 PolarHBondContact O-N 3.48Å; F513-R515 PolarHBondContact O-N 3.25Å |
| 516 | S | 36 | Very low | 34.9 | Very low | 83 Ų | 83 | 137 Ų | 137 | 58% | 0.58 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -110.7 | -14.9 | -168.5 | 52.4 | 0 | 0 | 0 | 0 | 116.8 | F513 | F513-S516 PolarHBondContact O-OG 3.43Š|
| 517 | T | 31.4 | Very low | 34.3 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | trans | -150.3 | 109.7 | -173 | 14.5 | 0 | 0 | 0 | 0 | 112.1 | S519 | T517-S519 PolarHBondContact O-N 2.8Š| ||
| 518 | P | 28.5 | Very low | 33.7 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 89% | 0.89 | 70% | 0.7 | S | S | * | * | trans | -93.1 | 59.5 | -171.4 | 37.5 | -36.6 | 0 | 0 | 0 | 113.5 | ||||
| 519 | S | 32.2 | Very low | 33 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -157.1 | 41.4 | -174.5 | 68.3 | 0 | 0 | 0 | 0 | 116.4 | T517 | T517-S519 PolarHBondContact O-N 2.8Š| ||
| 520 | F | 31.2 | Very low | 32.6 | Very low | 202 Ų | 202 | 137 Ų | 137 | 89% | 0.886 | 72% | 0.723 | S | S | * | * | trans | -144.8 | 37.7 | -179.1 | -111.8 | -72.3 | 0 | 0 | 0 | 116.5 | ||||
| 521 | T | 28.3 | Very low | 32.2 | Very low | 127 Ų | 127 | 140 Ų | 140 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -131.6 | 130.3 | 168.4 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 522 | P | 30.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | cis | -128.9 | 147.7 | 26.6 | 38.7 | -23.7 | 0 | 0 | 0 | 115.8 | ||||
| 523 | Y | 30.2 | Very low | 31.5 | Very low | 235 Ų | 235 | 139.5 Ų | 139.5 | 92% | 0.922 | 75% | 0.753 | S | S | * | * | trans | -158 | 42 | 160.3 | -129.7 | -76.1 | 0 | 0 | 0 | 114 | ||||
| 524 | I | 26.8 | Very low | 31.2 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 86% | 0.862 | 77% | 0.768 | S | S | * | * | trans | -139.4 | 101.2 | 173.9 | -54.2 | 176.7 | 0 | 0 | 0 | 109.3 | ||||
| 525 | D | 28.1 | Very low | 30.9 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -166.8 | -160.9 | 130.4 | -145 | -34.7 | 0 | 0 | 0 | 109.9 | ||||
| 526 | I | 28.9 | Very low | 30.8 | Very low | 146 Ų | 146 | 135.2 Ų | 135.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 90.1 | 72.4 | -177.9 | -47.7 | 173 | 0 | 0 | 0 | 113.1 | A528 | I526-A528 HydrophobicContact CG2-CB 3.84Š| ||
| 527 | S | 28.3 | Very low | 31 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | -70.9 | 125.1 | 125.3 | 53.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 528 | A | 29.5 | Very low | 31.2 | Very low | 82 Ų | 82 | 137.8 Ų | 137.8 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -109.4 | 132.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I526 | I526-A528 HydrophobicContact CG2-CB 3.84Š| ||
| 529 | D | 30.8 | Very low | 31.4 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -155.6 | 113.7 | 160.4 | -112.2 | -28.3 | 0 | 0 | 0 | 110.5 | ||||
| 530 | V | 31.1 | Very low | 31.7 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 71.8 | 139.5 | 150.7 | -170.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 531 | S | 32.1 | Very low | 32 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 75.4 | 95.1 | 159.7 | 49.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 532 | D | 30.1 | Very low | 32.3 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | 41.7 | 111.9 | 112.6 | -42.2 | -18.5 | 0 | 0 | 0 | 120 | |||||
| 533 | H | 35.7 | Very low | 32.5 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | -172 | 166.9 | 96.4 | -106.8 | -60.4 | 0 | 0 | 0 | 114.1 | |||||
| 534 | D | 30.9 | Very low | 32.7 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | trans | -77.2 | 158.3 | -164.1 | -41.6 | -100.3 | 0 | 0 | 0 | 115.8 | ||||
| 535 | G | 32.6 | Very low | 32.8 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | trans | 171.8 | 94.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 536 | D | 33.8 | Very low | 32.9 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | trans | -97.7 | -173 | -176.7 | -149.7 | 25.1 | 0 | 0 | 0 | 111.3 | ||||
| 537 | P | 40.4 | Very low | 33.1 | Very low | 89 Ų | 89 | 130.3 Ų | 130.3 | 58% | 0.578 | 72% | 0.722 | S | S | * | * | -115.3 | -127 | -105.8 | 39.6 | -22.5 | 0 | 0 | 0 | 112.9 | |||||
| 538 | H | 34.2 | Very low | 33.2 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | trans | 82.7 | 142 | -172 | -58.2 | -76.6 | 0 | 0 | 0 | 115.3 | ||||
| 539 | D | 34.4 | Very low | 33.1 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | cis | -164.8 | 177.6 | -8.9 | -109 | -6.8 | 0 | 0 | 0 | 110.5 | ||||
| 540 | D | 38 | Very low | 33.1 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | 65.2 | 148.6 | 152.7 | -60.2 | -11.1 | 0 | 0 | 0 | 121.7 | ||||
| 541 | E | 36.9 | Very low | 33.1 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | cis | -163.9 | 165.2 | -36 | -134.1 | 179.1 | -170.1 | 0 | 0 | 110.3 | ||||
| 542 | D | 34.6 | Very low | 32.9 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 66% | 0.658 | 71% | 0.707 | S | S | * | * | trans | 64.5 | 137.9 | 144.6 | -83.8 | 10.2 | 0 | 0 | 0 | 127.4 | ||||
| 543 | D | 36.3 | Very low | 32.9 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 66% | 0.663 | 71% | 0.709 | S | S | * | * | trans | 81 | 147 | 130.6 | -86.6 | 29.2 | 0 | 0 | 0 | 125.6 | ||||
| 544 | T | 32.6 | Very low | 32.6 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 60% | 0.595 | 70% | 0.701 | S | S | * | * | cis | -157.8 | 134.6 | -30.1 | 18.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 545 | L | 30.1 | Very low | 32.5 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | 83.7 | 145.5 | 74 | -151.7 | 89.8 | 0 | 0 | 0 | 115 | |||||
| 546 | E | 29.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 137 Ų | 137 | 61% | 0.612 | 69% | 0.691 | S | S | * | * | trans | 70.4 | 159.3 | 163.5 | -79.5 | -168.7 | 134.8 | 0 | 0 | 118.9 | ||||
| 547 | R | 32 | Very low | 32.2 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | cis | -155.1 | 153.3 | 9.6 | -137.7 | 163.6 | -156.7 | 161.7 | 22.7 | 115 | ||||
| 548 | T | 31.6 | Very low | 31.7 | Very low | 109 Ų | 109 | 139 Ų | 139 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | 41.2 | 125.1 | 148.3 | 45.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 549 | K | 28.1 | Very low | 31.4 | Very low | 172 Ų | 172 | 137.3 Ų | 137.3 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | 77.3 | 139.9 | 62.1 | -77.2 | -172.5 | 171.3 | -177.1 | 0 | 116.3 | |||||
| 550 | H | 29.9 | Very low | 31.1 | Very low | 154 Ų | 154 | 138 Ų | 138 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | trans | 72.9 | 151.3 | 164.6 | -59.5 | -53.6 | 0 | 0 | 0 | 116.1 | ||||
| 551 | Q | 31.7 | Very low | 30.6 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | cis | -151.1 | 151.4 | 2 | -133.1 | 168.2 | -66.2 | 0 | 0 | 114.4 | ||||
| 552 | S | 27.8 | Very low | 30.3 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 51% | 0.51 | 69% | 0.685 | S | S | . | * | trans | -9.4 | 152 | 158 | 59.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 553 | Q | 28.8 | Very low | 30 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | trans | 73.1 | 150.7 | 146.4 | -73.8 | 164.3 | -9.6 | 0 | 0 | 116.5 | ||||
| 554 | I | 30.4 | Very low | 29.6 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 66% | 0.656 | 69% | 0.691 | S | S | * | * | cis | -161.5 | 152.9 | 31.4 | -138.1 | 149.6 | 0 | 0 | 0 | 111.4 | ||||
| 555 | Q | 29.4 | Very low | 29.5 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | trans | 48 | 122.6 | 154.4 | -66.2 | 177.8 | -86.7 | 0 | 0 | 120.5 | ||||
| 556 | D | 28.8 | Very low | 29.5 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | 85.4 | 146.2 | 64.5 | -73.3 | -42 | 0 | 0 | 0 | 115.2 | |||||
| 557 | Q | 30.6 | Very low | 29.4 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 73% | 0.729 | 70% | 0.698 | S | S | * | * | trans | 92.6 | 116.6 | 162.3 | -56.3 | -156.4 | -4.2 | 0 | 0 | 119.8 | ||||
| 558 | N | 29.5 | Very low | 29 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | 65.7 | 142.9 | 122 | -57.9 | -3 | 0 | 0 | 0 | 120.6 | |||||
| 559 | D | 28 | Very low | 28.8 | Very low | 119 Ų | 119 | 147 Ų | 147 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | cis | -166.5 | 162.9 | -24.4 | -156 | -2.6 | 0 | 0 | 0 | 108.7 | ||||
| 560 | Q | 27.6 | Very low | 28.9 | Very low | 132 Ų | 132 | 147 Ų | 147 | 62% | 0.617 | 71% | 0.713 | S | S | * | * | trans | 59.6 | 137.6 | 148.6 | -84.1 | 174.1 | 68.9 | 0 | 0 | 123.7 | ||||
| 561 | Q | 27.7 | Very low | 28.6 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | trans | 70.1 | 96 | 139.8 | -69.8 | -175 | 62.4 | 0 | 0 | 121.2 | ||||
| 562 | H | 31.4 | Very low | 28.5 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | -176.7 | 135.5 | 104.5 | -94.8 | 45.4 | 0 | 0 | 0 | 108.1 | |||||
| 563 | K | 28 | Very low | 28.4 | Very low | 169 Ų | 169 | 148 Ų | 148 | 74% | 0.735 | 73% | 0.726 | S | S | * | * | 56.3 | 129 | 68.8 | -72.3 | -172.7 | 176.8 | -176 | 0 | 112.1 | |||||
| 564 | Q | 27.7 | Very low | 28.4 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 70% | 0.696 | 73% | 0.727 | S | S | * | * | cis | -165.5 | 177.6 | 3.2 | -144.1 | 164.9 | -48.2 | 0 | 0 | 107.1 | ||||
| 565 | I | 29.8 | Very low | 28.2 | Very low | 138 Ų | 138 | 148 Ų | 148 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | trans | 71 | 130.8 | 160.1 | -66.1 | 159 | 0 | 0 | 0 | 114.3 | ||||
| 566 | D | 30.1 | Very low | 28 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | cis | -153.8 | 156.8 | 3.9 | -111.6 | -1.2 | 0 | 0 | 0 | 115.2 | ||||
| 567 | H | 28 | Very low | 27.8 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 70% | 0.704 | 72% | 0.722 | S | S | * | * | trans | 17.6 | 133.8 | 154.7 | -73.5 | -84.5 | 0 | 0 | 0 | 125.5 | ||||
| 568 | M | 25.1 | Very low | 27.6 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 83% | 0.833 | 72% | 0.715 | S | S | * | * | trans | 60.6 | 107.9 | 139.2 | -69.8 | -179.2 | 160.2 | 0 | 0 | 121 | ||||
| 569 | K | 26.9 | Very low | 27.5 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | 179.7 | 164 | 106.8 | -101.4 | -179.6 | 174.8 | -163.6 | 0 | 114.3 | |||||
| 570 | E | 28.9 | Very low | 27.4 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 71.2 | 120.1 | 156.5 | -77.6 | 147.2 | -137.6 | 0 | 0 | 120.5 | ||||
| 571 | S | 25.3 | Very low | 27.2 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | trans | -74 | 156.7 | 174.4 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 572 | N | 28.4 | Very low | 27.2 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | -163.6 | 159.5 | 126.2 | -104.2 | -43.1 | 0 | 0 | 0 | 112.8 | |||||
| 573 | H | 27.1 | Very low | 26.9 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 143.3 | -165 | -65 | -96.8 | 0 | 0 | 0 | 114.6 | ||
| 574 | Q | 27.9 | Very low | 26.8 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 141.7 | 163.4 | -69.7 | -175.8 | -15 | 0 | 0 | 110.3 | I576 | Q574-I576 PolarHBondContact O-N 3.42Š|
| 575 | L | 25 | Very low | 26.8 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 63% | 0.628 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 122.9 | 171 | -72.5 | 83.5 | 0 | 0 | 0 | 109.6 | S253 | S253-L575 WeakPolarHBondContact O-CD2 3.34Š|
| 576 | I | 25.9 | Very low | 26.6 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 119.2 | 170.9 | -62 | -177.5 | 0 | 0 | 0 | 109.5 | Q574 L578 | Q574-I576 PolarHBondContact O-N 3.42Å; I576-L578 HydrophobicContact CG2-CD2 3.85Å; I576-L578 HydrophobicContact CG2-CG 4.15Å; I576-L578 PolarHBondContact O-N 3.01Å |
| 577 | K | 25.1 | Very low | 26.6 | Very low | 148 Ų | 148 | 142 Ų | 142 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | trans | -79.3 | 80.2 | -176.9 | -160.5 | -166.5 | -162.5 | 86.6 | 0 | 110 | E258 T579 | E258-K577 IonicContact OE1-NZ 2.7Å; E258-K577 PolarHBondContact OE1-NZ 2.87Å; K577-T579 PolarHBondContact O-N 2.85Å | ||
| 578 | L | 26.6 | Very low | 26.5 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 59% | 0.592 | 73% | 0.729 | S | S | * | * | trans | -73.2 | 81.9 | -175.7 | -69.2 | 176.9 | 0 | 0 | 0 | 112.9 | I576 C580 D930 | I576-L578 HydrophobicContact CG2-CD2 3.85Å; I576-L578 HydrophobicContact CG2-CG 4.15Å; I576-L578 PolarHBondContact O-N 3.01Å; L578-C580 PolarHBondContact O-N 3.18Å; L578-D930 WeakPolarHBondContact CD1-O 3.44Å | ||
| 579 | T | 26.3 | Very low | 26.7 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | trans | -69.8 | 112.3 | 154.2 | 50.8 | 0 | 0 | 0 | 0 | 108.5 | K577 K581 | K577-T579 PolarHBondContact O-N 2.85Å; T579-K581 PolarHBondContact O-N 2.87Å | ||
| 580 | C | 26.9 | Very low | 26.9 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | trans | -60.1 | 113.2 | 176.7 | -168 | 0 | 0 | 0 | 0 | 109.8 | L578 | L578-C580 PolarHBondContact O-N 3.18Š| ||
| 581 | K | 23.9 | Very low | 27 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | trans | -135.3 | 75.3 | -178.6 | -165.8 | 176 | -173.5 | 178.6 | 0 | 108.3 | T579 I583 | T579-K581 PolarHBondContact O-N 2.87Å; K581-I583 PolarHBondContact O-N 2.99Å | ||
| 582 | R | 27.3 | Very low | 27.1 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 51% | 0.506 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -50 | 122.4 | 173.7 | -102.6 | 176.3 | 167.2 | 150.3 | -3.5 | 109 | D126 S584 | D126-R582 IonicContact OD1-NH1 4Å; D126-R582 PolarHBondContact OD1-NH1 2.94Å; D126-R582 IonicContact OD2-CZ 2.83Å; D126-R582 IonicContact OD2-NH1 3.18Å; D126-R582 PolarHBondContact OD2-NH1 2.86Å; R582-S584 PolarHBondContact O-N 3.44Å |
| 583 | I | 24.7 | Very low | 27.2 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 117.4 | 169.4 | -64.7 | 173.9 | 0 | 0 | 0 | 106.2 | K581 C585 | K581-I583 PolarHBondContact O-N 2.99Å; I583-C585 PolarHBondContact O-N 3.45Å |
| 584 | S | 26.9 | Very low | 27.2 | Very low | 84 Ų | 84 | 138.4 Ų | 138.4 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 126.5 | 171 | 50.4 | 0 | 0 | 0 | 0 | 109.1 | R582 D586 | R582-S584 PolarHBondContact O-N 3.44Å; S584-D586 PolarHBondContact O-N 3.4Å |
| 585 | C | 26.1 | Very low | 27.4 | Very low | 132 Ų | 132 | 136 Ų | 136 | 89% | 0.892 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -78.2 | 40.9 | 178 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | I583 | I583-C585 PolarHBondContact O-N 3.45Š|
| 586 | D | 26.8 | Very low | 27.7 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | trans | -118.8 | 87.6 | 179.3 | -75.2 | -54.1 | 0 | 0 | 0 | 109.1 | S584 | S584-D586 PolarHBondContact O-N 3.4Š| ||
| 587 | N | 28.8 | Very low | 27.9 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | trans | -156.6 | 91.7 | 161 | -95.5 | -60.4 | 0 | 0 | 0 | 109 | ||||
| 588 | S | 27.1 | Very low | 28.3 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | -95.2 | 155.1 | 161.9 | 39.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 589 | D | 29 | Very low | 28.6 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | 73.2 | 146.4 | 175.1 | -61.6 | -26.3 | 0 | 0 | 0 | 119.6 | ||||
| 590 | L | 30.8 | Very low | 28.8 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | trans | 72.2 | 127.5 | 170.7 | -56.9 | 171.3 | 0 | 0 | 0 | 115.4 | ||||
| 591 | I | 30.9 | Very low | 29 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | cis | -140.8 | 145.9 | 13 | -63.1 | -177.9 | 0 | 0 | 0 | 112 | ||||
| 592 | N | 27.5 | Very low | 29.2 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -62.4 | 131.8 | 173 | -74.3 | -75.7 | 0 | 0 | 0 | 115.7 | ||||
| 593 | K | 30.3 | Very low | 29.4 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | trans | 170.5 | 135.9 | 139.6 | -95.2 | 152.9 | -174.5 | 174.5 | 0 | 108.9 | ||||
| 594 | S | 28.5 | Very low | 29.4 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | cis | 157.1 | 158.9 | -5.1 | 46.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 595 | V | 30.6 | Very low | 29.7 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 78% | 0.782 | 78% | 0.781 | S | S | * | * | trans | 75.3 | 122.1 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 596 | L | 32.8 | Very low | 29.7 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -148.5 | 127.7 | -9 | -87.6 | 155.7 | 0 | 0 | 0 | 106.1 | ||||
| 597 | K | 28.7 | Very low | 29.9 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | 83.2 | 140.1 | 74.5 | -96.7 | -107.2 | 168.9 | -166.6 | 0 | 115.7 | |||||
| 598 | P | 34.3 | Very low | 29.7 | Very low | 89 Ų | 89 | 140.1 Ų | 140.1 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | trans | -132.6 | -165.9 | -153.6 | 44 | -25.2 | 0 | 0 | 0 | 115.2 | ||||
| 599 | V | 32 | Very low | 29.9 | Very low | 136 Ų | 136 | 142.6 Ų | 142.6 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | -143 | 112.3 | 158.6 | -179.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 600 | E | 30 | Very low | 30 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 63% | 0.626 | 77% | 0.766 | S | S | * | * | cis | 74.8 | 108.9 | 46.9 | -70.5 | -174.1 | -160.5 | 0 | 0 | 116 | ||||
| 601 | N | 31.8 | Very low | 29.9 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | -166 | 152.6 | 126.7 | -98.9 | -42.5 | 0 | 0 | 0 | 111.8 | |||||
| 602 | T | 28 | Very low | 30 | Very low | 125 Ų | 125 | 141 Ų | 141 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | -152.3 | 143.3 | -162.2 | 56.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 603 | T | 31.7 | Very low | 30.1 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | -163.1 | 121.8 | 155.6 | 43.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 604 | K | 25 | Very low | 30 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | cis | 91.4 | 87.7 | 4.2 | -152.7 | -89.7 | 179.3 | 177 | 0 | 118.1 | D606 | K604-D606 IonicContact NZ-OD2 3.21Å; K604-D606 PolarHBondContact NZ-OD2 3.07Å | ||
| 605 | I | 32.4 | Very low | 30 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -142.3 | 131.3 | 155.9 | -61.3 | 174.8 | 0 | 0 | 0 | 105 | ||||
| 606 | D | 26.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 56% | 0.556 | 78% | 0.776 | S | S | * | * | cis | 105.6 | 146.4 | 6 | -148.5 | -6.1 | 0 | 0 | 0 | 116 | K604 | K604-D606 IonicContact NZ-OD2 3.21Å; K604-D606 PolarHBondContact NZ-OD2 3.07Å | ||
| 607 | L | 31.4 | Very low | 30.1 | Very low | 154 Ų | 154 | 137 Ų | 137 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 70.2 | 152.7 | -172.4 | -49.5 | 176.2 | 0 | 0 | 0 | 117.5 | ||||
| 608 | S | 24.8 | Very low | 30 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | 171.7 | 137.5 | -64.2 | 56.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 609 | L | 30.6 | Very low | 30 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 168.5 | 110.2 | 153.9 | -92.8 | 159 | 0 | 0 | 0 | 109.3 | ||||
| 610 | K | 31.2 | Very low | 29.8 | Very low | 188 Ų | 188 | 137 Ų | 137 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | 67.1 | 140.9 | 91.9 | -72.3 | -165.8 | -163.4 | 172.9 | 0 | 117.3 | |||||
| 611 | S | 29.2 | Very low | 29.7 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | cis | 171.4 | 123.6 | -29.8 | 46.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 612 | T | 32 | Very low | 29.7 | Very low | 153 Ų | 153 | 134 Ų | 134 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | 162.3 | 135.8 | 149.4 | 37.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 613 | G | 29.6 | Very low | 29.7 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | cis | 144.2 | 96.2 | -14.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 614 | E | 28.9 | Very low | 29.6 | Very low | 206 Ų | 206 | 134.9 Ų | 134.9 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | trans | -151.3 | 154.9 | 157.6 | -129.7 | 166.3 | -148.4 | 0 | 0 | 109 | ||||
| 615 | A | 28.9 | Very low | 29.7 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -145.7 | 140.9 | -158.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 616 | V | 31.4 | Very low | 29.5 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -139.5 | 139.6 | 171.2 | -178.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 617 | P | 34.4 | Very low | 29.6 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -92 | 164.6 | -163.3 | 35.8 | -37.5 | 0 | 0 | 0 | 115.7 | ||
| 618 | S | 25.9 | Very low | 29.5 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 142.3 | 178.2 | 48.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 619 | P | 34.2 | Very low | 29.7 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 159.6 | 161.4 | 36 | -30.5 | 0 | 0 | 0 | 112.7 | ||
| 620 | Q | 27.7 | Very low | 29.5 | Very low | 169 Ų | 169 | 125 Ų | 125 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 162.4 | 176 | -68.1 | 179.9 | -74.2 | 0 | 0 | 112.1 | T622 | Q620-T622 PolarHBondContact O-N 3.24Š|
| 621 | P | 28.9 | Very low | 29.4 | Very low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 120.1 | 172.6 | 26.3 | -34.9 | 0 | 0 | 0 | 111.5 | ||
| 622 | T | 30.2 | Very low | 29.2 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -119 | 140.7 | 169.8 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | Q620 I624 | Q620-T622 PolarHBondContact O-N 3.24Å; T622-I624 PolarHBondContact O-N 2.82Å; T622-I624 VanDerWaalsContact O-N 3.16Å | ||
| 623 | P | 28.7 | Very low | 29.2 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | -63.3 | 118.1 | -176 | 26 | -34.4 | 0 | 0 | 0 | 110.9 | T625 | P623-T625 PolarHBondContact O-N 2.9Å; P623-T625 VanDerWaalsContact O-N 3.08Å | ||
| 624 | I | 29.4 | Very low | 29 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | trans | -71.3 | 107 | -175.8 | -61 | 176.2 | 0 | 0 | 0 | 109.2 | T622 | T622-I624 PolarHBondContact O-N 2.82Å; T622-I624 VanDerWaalsContact O-N 3.16Å | ||
| 625 | T | 27.7 | Very low | 29.1 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | trans | -85.7 | 116.2 | 164.4 | -57.9 | 0 | 0 | 0 | 0 | 107.7 | P623 T627 | P623-T625 PolarHBondContact O-N 2.9Å; P623-T625 VanDerWaalsContact O-N 3.08Å; T625-T627 PolarHBondContact O-N 2.99Å; T625-T627 VanDerWaalsContact O-N 3.11Å; T625-T627 PolarHBondContact O-OG1 3.23Å | ||
| 626 | A | 27.9 | Very low | 29.1 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -54.2 | 118.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 627 | T | 29 | Very low | 29.1 | Very low | 89 Ų | 89 | 121.4 Ų | 121.4 | 55% | 0.546 | 77% | 0.765 | S | S | . | * | trans | -141 | 98.1 | -176.6 | -48.4 | 0 | 0 | 0 | 0 | 108.7 | T625 T629 | T625-T627 PolarHBondContact O-N 2.99Å; T625-T627 VanDerWaalsContact O-N 3.11Å; T625-T627 PolarHBondContact O-OG1 3.23Å; T627-T629 PolarHBondContact O-N 2.98Å | ||
| 628 | L | 29.3 | Very low | 28.8 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 50% | 0.503 | 77% | 0.768 | S | S | . | * | trans | -57.7 | 126.3 | 173.3 | -68 | 152.8 | 0 | 0 | 0 | 110.4 | N405 | N405-L628 PolarHBondContact ND2-N 3.34Å; N405-L628 PolarHBondContact ND2-O 2.89Å | ||
| 629 | T | 29.5 | Very low | 29.1 | Very low | 126 Ų | 126 | 122 Ų | 122 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -126.2 | 120.5 | 174.9 | 32.9 | 0 | 0 | 0 | 0 | 111.4 | T627 | T627-T629 PolarHBondContact O-N 2.98Š| ||
| 630 | S | 26.5 | Very low | 29 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -73.7 | 128 | -178.6 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 631 | C | 27.7 | Very low | 29.3 | Very low | 125 Ų | 125 | 121.6 Ų | 121.6 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -90.9 | 112.9 | 166.7 | -72.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 632 | T | 25.8 | Very low | 29.6 | Very low | 131 Ų | 131 | 121.8 Ų | 121.8 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -116.7 | 118.8 | 163.9 | 49.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 633 | T | 31.5 | Very low | 29.9 | Very low | 141 Ų | 141 | 120 Ų | 120 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -122.7 | 107.8 | 177.5 | 49.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 634 | S | 25.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -105 | 131.5 | 175.5 | 55.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 635 | T | 31.7 | Very low | 30.5 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | -151.9 | 153.5 | 164.2 | -37.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 636 | T | 27.2 | Very low | 30.8 | Very low | 134 Ų | 134 | 118 Ų | 118 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -112.4 | 150.9 | -163.6 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 637 | A | 31.4 | Very low | 31 | Very low | 89 Ų | 89 | 120.3 Ų | 120.3 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -178.7 | 108.1 | 133.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 638 | N | 29.5 | Very low | 31.2 | Very low | 157 Ų | 157 | 120.6 Ų | 120.6 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | 44.5 | 145.5 | 131.7 | -58.9 | -15.4 | 0 | 0 | 0 | 124.8 | ||||
| 639 | A | 31.6 | Very low | 31.3 | Very low | 91 Ų | 91 | 122.2 Ų | 122.2 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 81.3 | 136.3 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 640 | T | 32.2 | Very low | 31.5 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | cis | -165.5 | 144.6 | -7.5 | 13.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 641 | K | 33.5 | Very low | 31.7 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 74% | 0.735 | 73% | 0.732 | S | S | * | * | trans | 65.1 | 157.3 | 146.5 | -67 | 177.5 | 150 | -82.3 | 0 | 117.7 | ||||
| 642 | D | 35.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | cis | -164.3 | 155.4 | -17.7 | -95.5 | -16.2 | 0 | 0 | 0 | 105.5 | ||||
| 643 | A | 36.7 | Very low | 31.9 | Very low | 73 Ų | 73 | 123 Ų | 123 | 60% | 0.603 | 72% | 0.723 | S | S | * | * | cis | -171.1 | -176.5 | -17.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 644 | N | 33.9 | Very low | 31.9 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 71.2 | 150.8 | 162.8 | -72.1 | 37 | 0 | 0 | 0 | 117.8 | ||||
| 645 | D | 36.3 | Very low | 31.9 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | cis | -152.4 | 149.2 | 1.9 | -119.2 | -27.8 | 0 | 0 | 0 | 112.7 | ||||
| 646 | T | 35 | Very low | 32.1 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 64% | 0.638 | 71% | 0.707 | S | S | * | * | trans | 38.6 | 149.3 | 147.9 | 61.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 647 | N | 31.9 | Very low | 32.2 | Very low | 135 Ų | 135 | 121 Ų | 121 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | cis | -177.7 | 166.6 | 1.4 | -100.4 | -1.8 | 0 | 0 | 0 | 106.4 | ||||
| 648 | T | 33.6 | Very low | 32.1 | Very low | 96 Ų | 96 | 123 Ų | 123 | 59% | 0.589 | 70% | 0.703 | S | S | * | * | cis | -170.2 | 144.4 | -12.2 | 27.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 649 | N | 31.1 | Very low | 32.1 | Very low | 129 Ų | 129 | 121.7 Ų | 121.7 | 69% | 0.69 | 70% | 0.695 | S | S | * | * | trans | 69 | 147.4 | 144.4 | -61.9 | 23.7 | 0 | 0 | 0 | 118.6 | ||||
| 650 | E | 33.4 | Very low | 32 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 65% | 0.654 | 69% | 0.694 | S | S | * | * | cis | -161.4 | 161.8 | -4.4 | -117.5 | 178.5 | -109.7 | 0 | 0 | 112 | ||||
| 651 | N | 30.2 | Very low | 31.8 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 65% | 0.647 | 69% | 0.694 | S | S | * | * | trans | 21.7 | 141.3 | 141.5 | -51.6 | -32.3 | 0 | 0 | 0 | 119.8 | ||||
| 652 | S | 30.1 | Very low | 31.6 | Very low | 100 Ų | 100 | 120.2 Ų | 120.2 | 70% | 0.699 | 69% | 0.692 | S | S | * | * | cis | -171.8 | 135.3 | 42.2 | -31.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 653 | I | 28.9 | Very low | 31.2 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | 81.8 | 132.2 | 91.9 | -64.5 | 170.7 | 0 | 0 | 0 | 117.2 | |||||
| 654 | L | 29.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 123 Ų | 123 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | trans | 79.8 | 109.4 | 160 | -81.1 | 164.8 | 0 | 0 | 0 | 123.3 | ||||
| 655 | S | 27 | Very low | 30.5 | Very low | 95 Ų | 95 | 120.7 Ų | 120.7 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | trans | -69.6 | -171.6 | 153.5 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 656 | P | 34.6 | Very low | 30.1 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | -125.4 | -134.1 | -55.6 | 34 | -12.3 | 0 | 0 | 0 | 109.7 | |||||
| 657 | V | 29.9 | Very low | 29.9 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | 75.4 | 129.6 | 166.8 | 171.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 658 | D | 28.5 | Very low | 29.7 | Very low | 132 Ų | 132 | 127 Ų | 127 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | cis | -168.4 | -175.3 | -2.6 | -142.7 | -27 | 0 | 0 | 0 | 113 | ||||
| 659 | I | 30.3 | Very low | 29.5 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 67% | 0.667 | 74% | 0.744 | S | S | * | * | trans | 84.1 | 108.7 | 142 | -80.2 | 165.3 | 0 | 0 | 0 | 122.8 | ||||
| 660 | I | 29.5 | Very low | 29.4 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | 75.2 | 100.7 | 129.4 | -60 | -178.9 | 0 | 0 | 0 | 122.8 | |||||
| 661 | S | 28 | Very low | 29.2 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 76.3 | 147.4 | 122.1 | -59.4 | 0 | 0 | 0 | 0 | 127 | |||||
| 662 | S | 29.1 | Very low | 29 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | 78.5 | 97.6 | 143.2 | 51.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 663 | D | 27.6 | Very low | 29 | Very low | 165 Ų | 165 | 129.8 Ų | 129.8 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | 73.9 | 156.3 | 118.8 | -71.7 | -42 | 0 | 0 | 0 | 124 | |||||
| 664 | A | 28.2 | Very low | 28.9 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | 71.7 | 92.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 665 | A | 27.5 | Very low | 29.1 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | 67.2 | 114.2 | 126.4 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 666 | V | 26.9 | Very low | 29.4 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 58.7 | 101.7 | 137.8 | -172 | 0 | 0 | 0 | 0 | 117 | ||||
| 667 | N | 31.1 | Very low | 29.2 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | -155 | 161.7 | 116.1 | -104.6 | -48.7 | 0 | 0 | 0 | 112.4 | |||||
| 668 | K | 27.5 | Very low | 29.4 | Very low | 201 Ų | 201 | 132.7 Ų | 132.7 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -103.9 | 130.9 | 174.8 | -73 | -178.2 | 175.2 | -176.6 | 0 | 110.4 | ||||
| 669 | S | 31.2 | Very low | 29.6 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -143 | 112.3 | 161.6 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 670 | T | 27.5 | Very low | 29.7 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -87.1 | 131.6 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 671 | T | 30.2 | Very low | 29.9 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -139.2 | 132.7 | 161.3 | 37.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 672 | N | 26.3 | Very low | 30.2 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -103 | 143.4 | -177.4 | -69.7 | -0.3 | 0 | 0 | 0 | 110.1 | ||||
| 673 | T | 28.7 | Very low | 30.5 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -147.9 | 77.1 | 166.3 | -47.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 674 | T | 27.7 | Very low | 30.9 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | 45.3 | 113.7 | 125.5 | 54.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 675 | L | 34.5 | Very low | 31.3 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | 67.4 | 154.8 | 122 | -86.5 | 162.4 | 0 | 0 | 0 | 118.4 | |||||
| 676 | P | 33 | Very low | 31.6 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | -129.7 | 170.4 | 55.8 | 40.4 | -25.7 | 0 | 0 | 0 | 117.1 | |||||
| 677 | S | 29.4 | Very low | 32.2 | Very low | 90 Ų | 90 | 141.3 Ų | 141.3 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -132.2 | 164.4 | 167.7 | 53.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 678 | Y | 34.9 | Very low | 32.5 | Very low | 238 Ų | 238 | 138.1 Ų | 138.1 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | trans | -112.1 | 154 | 169.7 | -105.1 | -96.2 | 0 | 0 | 0 | 110.8 | ||||
| 679 | Q | 32.4 | Very low | 32.9 | Very low | 162 Ų | 162 | 135.1 Ų | 135.1 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -121.6 | 166.2 | -170.3 | -55 | 175 | -79.8 | 0 | 0 | 111.6 | ||||
| 680 | I | 32.4 | Very low | 33.2 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | 166.9 | 135.6 | 140.2 | -89.1 | 152.4 | 0 | 0 | 0 | 107.2 | ||||
| 681 | N | 33.6 | Very low | 33.6 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | cis | -154.2 | 168.7 | -22.9 | -100.4 | -15.6 | 0 | 0 | 0 | 108.4 | ||||
| 682 | I | 34 | Very low | 33.8 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | trans | -127 | 143.9 | 178.3 | -60.3 | 172.1 | 0 | 0 | 0 | 110.3 | ||||
| 683 | V | 36.8 | Very low | 34 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | -156.2 | 147.5 | 161.4 | 175.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 684 | D | 34.7 | Very low | 34.1 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | cis | -166.4 | 163.5 | -39.9 | -87.2 | -32.9 | 0 | 0 | 0 | 105.2 | ||||
| 685 | G | 36.7 | Very low | 34.3 | Very low | 57 Ų | 57 | 141.5 Ų | 141.5 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | cis | 177.5 | -175.1 | 1.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 686 | D | 34.2 | Very low | 34.3 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | 57.1 | 151.2 | 166.3 | -52.4 | -27.7 | 0 | 0 | 0 | 118.8 | ||||
| 687 | D | 38.8 | Very low | 34.4 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | cis | -146.8 | 154.5 | 19.2 | -170.8 | 40.7 | 0 | 0 | 0 | 110 | ||||
| 688 | P | 37 | Very low | 34.6 | Very low | 94 Ų | 94 | 145.1 Ų | 145.1 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | trans | -110.2 | -158.4 | -169.2 | 41 | -30.9 | 0 | 0 | 0 | 115 | ||||
| 689 | N | 36.4 | Very low | 34.6 | Very low | 137 Ų | 137 | 143 Ų | 143 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 76.2 | 147.4 | -176.8 | -39.3 | -76.2 | 0 | 0 | 0 | 113.6 | ||||
| 690 | H | 37.3 | Very low | 34.7 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | cis | -142.3 | 172.1 | -1.2 | -119.2 | -81.4 | 0 | 0 | 0 | 105.5 | ||||
| 691 | D | 36.7 | Very low | 34.8 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | cis | -144.4 | -128.3 | 12.8 | -170.1 | 60.2 | 0 | 0 | 0 | 111 | ||||
| 692 | D | 33.5 | Very low | 34.8 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | trans | -129.4 | 169.3 | -163.2 | -160.2 | -0.5 | 0 | 0 | 0 | 115.3 | ||||
| 693 | S | 31.6 | Very low | 34.6 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | trans | 84.2 | 102.9 | 160.4 | 77 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 694 | T | 30.6 | Very low | 34.5 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | trans | -173 | 61.3 | 130.5 | 20.4 | 0 | 0 | 0 | 0 | 113.7 | V696 | T694-V696 PolarHBondContact O-N 2.82Š| ||
| 695 | H | 31.6 | Very low | 34.5 | Very low | 199 Ų | 199 | 141.2 Ų | 141.2 | 92% | 0.921 | 72% | 0.719 | S | S | * | * | trans | -73.7 | 116.2 | 163.4 | -101.9 | -51.2 | 0 | 0 | 0 | 110.8 | ||||
| 696 | V | 34.8 | Very low | 34.3 | Very low | 129 Ų | 129 | 146.5 Ų | 146.5 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -174.3 | -37.1 | 140.3 | 135.6 | 0 | 0 | 0 | 0 | 115.5 | T694 | T694-V696 PolarHBondContact O-N 2.82Š|
| 697 | E | 34.8 | Very low | 34.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -85.3 | -23.3 | -158.4 | -65.4 | -152.7 | 110.2 | 0 | 0 | 117.9 | K699 R700 | E697-K699 PolarHBondContact O-N 3.23Å; E697-R700 PolarHBondContact O-N 2.84Å |
| 698 | E | 33.2 | Very low | 34.3 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -55.6 | -20.9 | -174 | -93.2 | -136.7 | 93.5 | 0 | 0 | 116.1 | R700 R702 | E698-R700 VanDerWaalsContact C-N 3.27Å; E698-R700 PolarHBondContact O-N 3.27Å; E698-R702 IonicContact OE1-CZ 2.86Å; E698-R702 IonicContact OE1-NE 3.03Å; E698-R702 IonicContact OE1-NH2 2.69Å; E698-R702 PolarHBondContact OE1-NH2 2.94Å; E698-R702 IonicContact OE2-NH2 3.97Å; E698-R702 PolarHBondContact OE2-NH2 2.91Å |
| 699 | K | 35.1 | Very low | 34.3 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -73.6 | -5.6 | -174.8 | -96.4 | 177.8 | 178.5 | 170 | 0 | 115.5 | E697 | E697-K699 PolarHBondContact O-N 3.23Š|
| 700 | R | 34.9 | Very low | 34.6 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 82% | 0.815 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -37.7 | -179.4 | -86.3 | -179.3 | 166.3 | 161.7 | -2.7 | 115.6 | E697 E698 R702 | E697-R700 PolarHBondContact O-N 2.84Å; E698-R700 VanDerWaalsContact C-N 3.27Å; E698-R700 PolarHBondContact O-N 3.27Å; R700-R702 PolarHBondContact O-N 2.88Å |
| 701 | E | 34.8 | Very low | 35.2 | Very low | 109 Ų | 109 | 140.1 Ų | 140.1 | 51% | 0.509 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -65.5 | -41.1 | -173.6 | -78 | -106.1 | 111 | 0 | 0 | 113.7 | F703 C704 | E701-F703 PolarHBondContact O-N 2.92Å; E701-C704 PolarHBondContact O-N 3.37Å |
| 702 | R | 33.3 | Very low | 35.8 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 65% | 0.645 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -66.4 | -12 | -172 | -57 | -172.6 | -169.4 | -163.5 | 5.8 | 114.1 | E698 R700 | E698-R702 IonicContact OE1-CZ 2.86Å; E698-R702 IonicContact OE1-NE 3.03Å; E698-R702 IonicContact OE1-NH2 2.69Å; E698-R702 PolarHBondContact OE1-NH2 2.94Å; E698-R702 IonicContact OE2-NH2 3.97Å; E698-R702 PolarHBondContact OE2-NH2 2.91Å; R700-R702 PolarHBondContact O-N 2.88Å |
| 703 | F | 30.4 | Very low | 36.9 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 72% | 0.715 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -89.1 | -26.6 | 172 | -100.1 | -93.1 | 0 | 0 | 0 | 114.2 | E701 T707 | E701-F703 PolarHBondContact O-N 2.92Å; F703-T707 WeakPolarHBondContact O-CG2 3.39Å; F703-T707 PolarHBondContact O-N 2.76Å; F703-T707 PolarHBondContact O-OG1 3.4Å |
| 704 | C | 34.6 | Very low | 38.4 | Very low | 77 Ų | 77 | 137.4 Ų | 137.4 | 52% | 0.52 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -80.4 | -36.3 | -175.2 | -74 | 0 | 0 | 0 | 0 | 113.3 | E701 T707 K708 | E701-C704 PolarHBondContact O-N 3.37Å; C704-T707 PolarHBondContact O-OG1 3.01Å; C704-T707 VanDerWaalsContact O-OG1 3.13Å; C704-K708 PolarHBondContact O-N 2.92Å |
| 705 | K | 34.6 | Very low | 40 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 50% | 0.496 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.4 | -43.7 | 177 | -69.5 | 178.6 | 178.8 | 173.2 | 0 | 111.4 | T707 K708 L709 | K705-T707 VanDerWaalsContact C-N 3.34Å; K705-T707 PolarHBondContact O-N 3.44Å; K705-K708 PolarHBondContact O-N 2.88Å; K705-L709 PolarHBondContact O-N 2.9Å |
| 706 | K | 32.9 | Very low | 41.6 | Very low | 168 Ų | 168 | 129 Ų | 129 | 73% | 0.73 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.1 | -29.2 | 177.2 | -74.7 | -177.2 | 174.9 | 177.8 | 0 | 114.2 | S710 | K706-S710 VanDerWaalsContact O-CB 3.3Å; K706-S710 WeakPolarHBondContact O-CB 3.09Å; K706-S710 PolarHBondContact O-N 2.99Å |
| 707 | T | 37.5 | Very low | 43.2 | Very low | 78 Ų | 78 | 131 Ų | 131 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -82.6 | -23.1 | 179.7 | 44.9 | 0 | 0 | 0 | 0 | 114.1 | F703 C704 K705 | F703-T707 WeakPolarHBondContact O-CG2 3.39Å; F703-T707 PolarHBondContact O-N 2.76Å; F703-T707 PolarHBondContact O-OG1 3.4Å; C704-T707 PolarHBondContact O-OG1 3.01Å; C704-T707 VanDerWaalsContact O-OG1 3.13Å; K705-T707 VanDerWaalsContact C-N 3.34Å; K705-T707 PolarHBondContact O-N 3.44Å |
| 708 | K | 35.2 | Very low | 45 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 73% | 0.73 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.5 | -51.3 | 170.9 | -74.9 | -174.1 | 177 | -178.6 | 0 | 112.1 | C704 K705 S710 K711 H712 | C704-K708 PolarHBondContact O-N 2.92Å; K705-K708 PolarHBondContact O-N 2.88Å; K708-S710 VanDerWaalsContact C-N 3.26Å; K708-S710 PolarHBondContact O-N 2.94Å; K708-K711 PolarHBondContact O-N 3.38Å; K708-H712 PolarHBondContact O-N 3.24Å |
| 709 | L | 36.5 | Very low | 46.7 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -55.5 | -40.6 | 175.3 | -80.2 | 157.8 | 0 | 0 | 0 | 112.1 | K705 K711 S713 | K705-L709 PolarHBondContact O-N 2.9Å; L709-K711 PolarHBondContact O-N 3.32Å; L709-S713 WeakPolarHBondContact O-CB 3.49Å; L709-S713 PolarHBondContact O-N 3.24Å; L709-S713 VanDerWaalsContact O-N 3.09Å |
| 710 | S | 44 | Very low | 48.3 | Very low | 47 Ų | 47 | 117.6 Ų | 117.6 | 33% | 0.329 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.4 | -26.7 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 114.3 | K706 K708 R714 | K706-S710 VanDerWaalsContact O-CB 3.3Å; K706-S710 WeakPolarHBondContact O-CB 3.09Å; K706-S710 PolarHBondContact O-N 2.99Å; K708-S710 VanDerWaalsContact C-N 3.26Å; K708-S710 PolarHBondContact O-N 2.94Å; S710-R714 VanDerWaalsContact O-CB 3.3Å; S710-R714 WeakPolarHBondContact O-CB 3.47Å; S710-R714 VanDerWaalsContact O-CD 3.3Å; S710-R714 WeakPolarHBondContact O-CD 3.37Å; S710-R714 WeakPolarHBondContact O-CG 3.38Å; S710-R714 PolarHBondContact O-N 2.89Å |
| 711 | K | 48.1 | Very low | 50 | Low | 163 Ų | 163 | 116.3 Ų | 116.3 | 71% | 0.709 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -81.9 | -45.9 | 179.2 | -76.6 | -177 | 177.2 | -174.6 | 0 | 112.9 | K708 L709 R714 R715 | K708-K711 PolarHBondContact O-N 3.38Å; L709-K711 PolarHBondContact O-N 3.32Å; K711-R714 PolarHBondContact O-N 3.45Å; K711-R715 PolarHBondContact O-N 2.78Å |
| 712 | H | 49.9 | Very low | 51.7 | Low | 91 Ų | 91 | 115.7 Ų | 115.7 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -47.4 | 176.8 | 164.5 | 84.1 | 0 | 0 | 0 | 110.9 | D318 K708 R714 R715 L716 | D318-H712 IonicContact OD1-CE1 3.9Å; D318-H712 PolarHBondContact OD1-CE1 2.93Å; D318-H712 IonicContact OD1-ND1 3.88Å; D318-H712 PolarHBondContact OD1-ND1 3.25Å; D318-H712 IonicContact OD2-CE1 3.6Å; D318-H712 IonicContact OD2-ND1 3.24Å; D318-H712 PolarHBondContact OD2-ND1 2.9Å; K708-H712 PolarHBondContact O-N 3.24Å; H712-R714 VanDerWaalsContact C-N 3.3Å; H712-R714 PolarHBondContact O-N 3.18Å; H712-R715 PolarHBondContact O-N 3.18Å; H712-L716 PolarHBondContact O-N 2.96Å |
| 713 | S | 57.2 | Low | 53.3 | Low | 50 Ų | 50 | 107.5 Ų | 107.5 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -36.5 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 113.2 | L709 R717 | L709-S713 WeakPolarHBondContact O-CB 3.49Å; L709-S713 PolarHBondContact O-N 3.24Å; L709-S713 VanDerWaalsContact O-N 3.09Å; S713-R717 VanDerWaalsContact O-CG 3.25Å; S713-R717 WeakPolarHBondContact O-CG 3.19Å; S713-R717 PolarHBondContact O-N 3.02Å; S713-R717 VanDerWaalsContact O-N 3.13Å |
| 714 | R | 63.3 | Low | 55.1 | Low | 172 Ų | 172 | 103.4 Ų | 103.4 | 65% | 0.649 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.3 | -38.9 | 172.8 | -79.9 | 173.9 | -172.4 | -153.7 | -0.4 | 112.8 | S710 K711 H712 R717 V718 | S710-R714 VanDerWaalsContact O-CB 3.3Å; S710-R714 WeakPolarHBondContact O-CB 3.47Å; S710-R714 VanDerWaalsContact O-CD 3.3Å; S710-R714 WeakPolarHBondContact O-CD 3.37Å; S710-R714 WeakPolarHBondContact O-CG 3.38Å; S710-R714 PolarHBondContact O-N 2.89Å; K711-R714 PolarHBondContact O-N 3.45Å; H712-R714 VanDerWaalsContact C-N 3.3Å; H712-R714 PolarHBondContact O-N 3.18Å; R714-R717 PolarHBondContact O-N 3.34Å; R714-V718 WeakPolarHBondContact O-CG2 3.35Å; R714-V718 PolarHBondContact O-N 3.32Å; R714-V718 VanDerWaalsContact O-N 3.16Å |
| 715 | R | 63.7 | Low | 56.9 | Low | 121 Ų | 121 | 105.6 Ų | 105.6 | 46% | 0.457 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.7 | -48.7 | 178.1 | -172.7 | -178.8 | -178.8 | -164.3 | -4.3 | 110.9 | K711 H712 R717 V718 L719 | K711-R715 PolarHBondContact O-N 2.78Å; H712-R715 PolarHBondContact O-N 3.18Å; R715-R717 VanDerWaalsContact C-N 3.32Å; R715-R717 PolarHBondContact O-N 2.85Å; R715-V718 PolarHBondContact O-N 3.11Å; R715-L719 HydrophobicContact CG-CD1 4.27Å; R715-L719 WeakPolarHBondContact O-CG 3.41Å; R715-L719 PolarHBondContact O-N 2.96Å |
| 716 | L | 64.8 | Low | 58.5 | Low | 47 Ų | 47 | 102.4 Ų | 102.4 | 25% | 0.246 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 176.2 | -70.6 | 170.6 | 0 | 0 | 0 | 112 | V200 D318 H712 V718 L719 R720 | V200-L716 HydrophobicContact CG2-CD2 4.21Å; D318-L716 HydrophobicContact CB-CD2 4.15Å; H712-L716 PolarHBondContact O-N 2.96Å; L716-V718 VanDerWaalsContact C-N 3.3Å; L716-V718 PolarHBondContact O-N 3.01Å; L716-L719 PolarHBondContact O-N 3.01Å; L716-R720 WeakPolarHBondContact O-CB 3.33Å; L716-R720 PolarHBondContact O-N 2.96Å |
| 717 | R | 68.3 | Low | 60 | Low | 171 Ų | 171 | 96.7 Ų | 96.7 | 65% | 0.645 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.5 | -30.6 | 173.6 | -72.4 | 173.8 | -165.6 | -142.2 | -0.1 | 114.3 | S713 R714 R715 R721 | S713-R717 VanDerWaalsContact O-CG 3.25Å; S713-R717 WeakPolarHBondContact O-CG 3.19Å; S713-R717 PolarHBondContact O-N 3.02Å; S713-R717 VanDerWaalsContact O-N 3.13Å; R714-R717 PolarHBondContact O-N 3.34Å; R715-R717 VanDerWaalsContact C-N 3.32Å; R715-R717 PolarHBondContact O-N 2.85Å; R717-R721 WeakPolarHBondContact O-CG 3.36Å; R717-R721 PolarHBondContact O-N 3.27Å |
| 718 | V | 73.5 | Confident | 61.4 | Low | 82 Ų | 82 | 99.8 Ų | 99.8 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -75.4 | -43.7 | 175.3 | 171 | 0 | 0 | 0 | 0 | 110.5 | R714 R715 L716 R720 R721 Q722 | R714-V718 WeakPolarHBondContact O-CG2 3.35Å; R714-V718 PolarHBondContact O-N 3.32Å; R714-V718 VanDerWaalsContact O-N 3.16Å; R715-V718 PolarHBondContact O-N 3.11Å; L716-V718 VanDerWaalsContact C-N 3.3Å; L716-V718 PolarHBondContact O-N 3.01Å; V718-R720 VanDerWaalsContact C-N 3.3Å; V718-R720 PolarHBondContact O-N 2.82Å; V718-R721 PolarHBondContact O-N 3.01Å; V718-Q722 WeakPolarHBondContact O-CG 3.45Å; V718-Q722 PolarHBondContact O-N 2.8Å |
| 719 | L | 68.9 | Low | 62.6 | Low | 24 Ų | 24 | 98.7 Ų | 98.7 | 13% | 0.126 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62 | -39 | 174.8 | -64 | 171.3 | 0 | 0 | 0 | 111.5 | L164 F182 V320 R715 L716 Q722 A723 | L164-L719 HydrophobicContact CD1-CD2 3.7Å; F182-L719 HydrophobicContact CZ-CB 4.13Å; V320-L719 HydrophobicContact CG2-CB 4.17Å; V320-L719 HydrophobicContact CG2-CD1 4.16Å; R715-L719 HydrophobicContact CG-CD1 4.27Å; R715-L719 WeakPolarHBondContact O-CG 3.41Å; R715-L719 PolarHBondContact O-N 2.96Å; L716-L719 PolarHBondContact O-N 3.01Å; L719-Q722 WeakPolarHBondContact O-CB 3.49Å; L719-Q722 PolarHBondContact O-N 3.13Å; L719-Q722 VanDerWaalsContact O-N 3.14Å; L719-A723 PolarHBondContact O-N 3.14Å |
| 720 | R | 68 | Low | 63.6 | Low | 113 Ų | 113 | 98.9 Ų | 98.9 | 43% | 0.426 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.5 | -51.4 | 177 | 177.6 | 164.3 | -76.8 | -178.6 | -3.7 | 111 | F182 L716 V718 Q722 A723 E724 | F182-R720 VanDerWaalsContact CE1-CA 3.5Å; F182-R720 HydrophobicContact CE1-CB 4.09Å; F182-R720 HydrophobicContact CE2-CB 4.38Å; F182-R720 VanDerWaalsContact CZ-CA 3.41Å; F182-R720 HydrophobicContact CZ-CB 3.68Å; F182-R720 PolarHBondContact O-NH2 3.02Å; L716-R720 WeakPolarHBondContact O-CB 3.33Å; L716-R720 PolarHBondContact O-N 2.96Å; V718-R720 VanDerWaalsContact C-N 3.3Å; V718-R720 PolarHBondContact O-N 2.82Å; R720-Q722 PolarHBondContact O-N 2.9Å; R720-Q722 VanDerWaalsContact O-N 3.15Å; R720-A723 PolarHBondContact O-N 3.49Å; R720-A723 VanDerWaalsContact O-N 3.11Å; R720-E724 WeakPolarHBondContact CD-OE1 3.47Å; R720-E724 VanDerWaalsContact CG-CD 3.43Å; R720-E724 HydrophobicContact CG-CG 4.08Å; R720-E724 WeakPolarHBondContact CG-OE1 3.35Å; R720-E724 WeakPolarHBondContact O-CB 3.44Å; R720-E724 VanDerWaalsContact O-CG 3.23Å; R720-E724 WeakPolarHBondContact O-CG 3.22Å; R720-E724 PolarHBondContact O-N 3.12Å |
| 721 | R | 69.8 | Low | 64.1 | Low | 189 Ų | 189 | 99.5 Ų | 99.5 | 71% | 0.713 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.2 | -28 | 172.8 | -73.3 | 176.4 | 173.7 | -165.1 | -5.2 | 114.5 | R717 V718 E724 Y725 | R717-R721 WeakPolarHBondContact O-CG 3.36Å; R717-R721 PolarHBondContact O-N 3.27Å; V718-R721 PolarHBondContact O-N 3.01Å; R721-E724 WeakPolarHBondContact CA-OE2 3.23Å; R721-E724 PolarHBondContact N-OE2 3.34Å; R721-Y725 WeakPolarHBondContact O-CB 3.31Å; R721-Y725 PolarHBondContact O-N 3.14Å; R721-Y725 VanDerWaalsContact O-N 3.15Å |
| 722 | Q | 71.4 | Confident | 64.5 | Low | 96 Ų | 96 | 96.4 Ų | 96.4 | 45% | 0.449 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -77.3 | -41.1 | 175.8 | -74.7 | 176.2 | -34.5 | 0 | 0 | 112.1 | V718 L719 R720 I726 | V718-Q722 WeakPolarHBondContact O-CG 3.45Å; V718-Q722 PolarHBondContact O-N 2.8Å; L719-Q722 WeakPolarHBondContact O-CB 3.49Å; L719-Q722 PolarHBondContact O-N 3.13Å; L719-Q722 VanDerWaalsContact O-N 3.14Å; R720-Q722 PolarHBondContact O-N 2.9Å; R720-Q722 VanDerWaalsContact O-N 3.15Å; Q722-I726 WeakPolarHBondContact O-CB 3.23Å; Q722-I726 WeakPolarHBondContact O-CD1 3.48Å; Q722-I726 WeakPolarHBondContact O-CG1 3.28Å; Q722-I726 PolarHBondContact O-N 2.85Å |
| 723 | A | 67.1 | Low | 65.3 | Low | 0 Ų | 0 | 99.9 Ų | 99.9 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.5 | -48.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F182 W198 L719 R720 Y725 I726 Q727 | F182-A723 HydrophobicContact CD1-CB 3.87Å; F182-A723 HydrophobicContact CE1-CB 3.64Å; W198-A723 HydrophobicContact CD2-CB 4.23Å; W198-A723 HydrophobicContact CE3-CB 4.33Å; L719-A723 PolarHBondContact O-N 3.14Å; R720-A723 PolarHBondContact O-N 3.49Å; R720-A723 VanDerWaalsContact O-N 3.11Å; A723-Y725 VanDerWaalsContact C-N 3.33Å; A723-Y725 PolarHBondContact O-N 3.16Å; A723-I726 CarbonylContact O-C 3.51Å; A723-I726 PolarHBondContact O-N 3.46Å; A723-Q727 WeakPolarHBondContact O-CB 3.47Å; A723-Q727 PolarHBondContact O-N 2.93Å |
| 724 | E | 69 | Low | 66.3 | Low | 76 Ų | 76 | 98.4 Ų | 98.4 | 36% | 0.355 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -49.8 | -51.9 | 173.7 | -71.7 | 165.2 | 163.4 | 0 | 0 | 110.5 | R720 R721 I726 Q727 E728 | R720-E724 WeakPolarHBondContact CD-OE1 3.47Å; R720-E724 VanDerWaalsContact CG-CD 3.43Å; R720-E724 HydrophobicContact CG-CG 4.08Å; R720-E724 WeakPolarHBondContact CG-OE1 3.35Å; R720-E724 WeakPolarHBondContact O-CB 3.44Å; R720-E724 VanDerWaalsContact O-CG 3.23Å; R720-E724 WeakPolarHBondContact O-CG 3.22Å; R720-E724 PolarHBondContact O-N 3.12Å; R721-E724 WeakPolarHBondContact CA-OE2 3.23Å; R721-E724 PolarHBondContact N-OE2 3.34Å; E724-I726 PolarHBondContact O-N 2.94Å; E724-Q727 WeakPolarHBondContact O-CB 3.11Å; E724-Q727 PolarHBondContact O-N 2.84Å; E724-Q727 VanDerWaalsContact O-N 3.17Å; E724-E728 WeakPolarHBondContact O-CG 3.28Å; E724-E728 PolarHBondContact O-N 2.72Å |
| 725 | Y | 70.8 | Confident | 67.1 | Low | 124 Ų | 124 | 96.6 Ų | 96.6 | 49% | 0.486 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65 | -33.1 | 178.3 | 179.8 | -106.1 | 0 | 0 | 0 | 114.3 | R721 A723 K729 | R721-Y725 WeakPolarHBondContact O-CB 3.31Å; R721-Y725 PolarHBondContact O-N 3.14Å; R721-Y725 VanDerWaalsContact O-N 3.15Å; A723-Y725 VanDerWaalsContact C-N 3.33Å; A723-Y725 PolarHBondContact O-N 3.16Å; Y725-K729 HydrophobicContact CD1-CD 4.41Å; Y725-K729 HydrophobicContact CE1-CD 3.81Å; Y725-K729 HydrophobicContact CE2-CD 4.33Å; Y725-K729 WeakPolarHBondContact O-CB 3.29Å; Y725-K729 PolarHBondContact O-N 2.95Å; Y725-K729 VanDerWaalsContact O-N 3.11Å; Y725-K729 VanDerWaalsContact OH-CE 3.25Å; Y725-K729 WeakPolarHBondContact OH-CE 3.03Å; Y725-K729 PolarHBondContact OH-NZ 3.39Å |
| 726 | I | 68.8 | Low | 68 | Low | 46 Ų | 46 | 91.5 Ų | 91.5 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -72.2 | -34.2 | 174.9 | -72.3 | 164.8 | 0 | 0 | 0 | 110.7 | L164 W198 Q722 A723 E724 R730 | L164-I726 HydrophobicContact CD2-CD1 3.64Å; W198-I726 HydrophobicContact CH2-CG2 4.25Å; W198-I726 HydrophobicContact CZ2-CB 4.44Å; W198-I726 HydrophobicContact CZ2-CG2 3.79Å; Q722-I726 WeakPolarHBondContact O-CB 3.23Å; Q722-I726 WeakPolarHBondContact O-CD1 3.48Å; Q722-I726 WeakPolarHBondContact O-CG1 3.28Å; Q722-I726 PolarHBondContact O-N 2.85Å; A723-I726 CarbonylContact O-C 3.51Å; A723-I726 PolarHBondContact O-N 3.46Å; E724-I726 PolarHBondContact O-N 2.94Å; I726-R730 VanDerWaalsContact O-CB 3.25Å; I726-R730 WeakPolarHBondContact O-CB 3.36Å; I726-R730 VanDerWaalsContact O-CG 3.24Å; I726-R730 WeakPolarHBondContact O-CG 3.17Å; I726-R730 PolarHBondContact O-N 2.74Å |
| 727 | Q | 64.7 | Low | 68.8 | Low | 48 Ų | 48 | 91 Ų | 91 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -72.6 | -47.5 | 177.1 | -176.5 | 175.7 | 4.7 | 0 | 0 | 111.3 | D115 A723 E724 K729 R730 A731 | D115-Q727 PolarHBondContact O-NE2 2.62Å; A723-Q727 WeakPolarHBondContact O-CB 3.47Å; A723-Q727 PolarHBondContact O-N 2.93Å; E724-Q727 WeakPolarHBondContact O-CB 3.11Å; E724-Q727 PolarHBondContact O-N 2.84Å; E724-Q727 VanDerWaalsContact O-N 3.17Å; Q727-K729 VanDerWaalsContact C-N 3.29Å; Q727-K729 PolarHBondContact O-N 2.85Å; Q727-R730 CarbonylContact O-C 3.56Å; Q727-R730 WeakPolarHBondContact O-CA 3.14Å; Q727-R730 PolarHBondContact O-N 3.14Å; Q727-A731 PolarHBondContact O-N 3.32Å |
| 728 | E | 65.8 | Low | 69.6 | Low | 143 Ų | 143 | 84.6 Ų | 84.6 | 67% | 0.668 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -52.1 | -46.9 | 169.2 | -74.7 | 178.5 | 161.2 | 0 | 0 | 111.4 | E724 R730 A731 | E724-E728 WeakPolarHBondContact O-CG 3.28Å; E724-E728 PolarHBondContact O-N 2.72Å; E728-R730 VanDerWaalsContact C-N 3.27Å; E728-R730 PolarHBondContact O-N 3.49Å; E728-A731 VanDerWaalsContact O-CB 3.28Å; E728-A731 WeakPolarHBondContact O-CB 3.42Å; E728-A731 PolarHBondContact O-N 2.74Å |
| 729 | K | 60.4 | Low | 70.3 | Confident | 146 Ų | 146 | 84.4 Ų | 84.4 | 64% | 0.635 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -15.8 | 176.4 | -84.1 | -172.3 | 154.9 | -179.4 | 0 | 115.1 | Y725 Q727 | Y725-K729 HydrophobicContact CD1-CD 4.41Å; Y725-K729 HydrophobicContact CE1-CD 3.81Å; Y725-K729 HydrophobicContact CE2-CD 4.33Å; Y725-K729 WeakPolarHBondContact O-CB 3.29Å; Y725-K729 PolarHBondContact O-N 2.95Å; Y725-K729 VanDerWaalsContact O-N 3.11Å; Y725-K729 VanDerWaalsContact OH-CE 3.25Å; Y725-K729 WeakPolarHBondContact OH-CE 3.03Å; Y725-K729 PolarHBondContact OH-NZ 3.39Å; Q727-K729 VanDerWaalsContact C-N 3.29Å; Q727-K729 PolarHBondContact O-N 2.85Å |
| 730 | R | 57.3 | Low | 71.3 | Confident | 128 Ų | 128 | 83.5 Ų | 83.5 | 48% | 0.483 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -3.2 | 175.4 | -83.5 | 179.2 | 162.4 | -140.6 | -8.6 | 113.2 | I726 Q727 E728 I732 | I726-R730 VanDerWaalsContact O-CB 3.25Å; I726-R730 WeakPolarHBondContact O-CB 3.36Å; I726-R730 VanDerWaalsContact O-CG 3.24Å; I726-R730 WeakPolarHBondContact O-CG 3.17Å; I726-R730 PolarHBondContact O-N 2.74Å; Q727-R730 CarbonylContact O-C 3.56Å; Q727-R730 WeakPolarHBondContact O-CA 3.14Å; Q727-R730 PolarHBondContact O-N 3.14Å; E728-R730 VanDerWaalsContact C-N 3.27Å; E728-R730 PolarHBondContact O-N 3.49Å; R730-I732 WeakPolarHBondContact O-CG1 3.48Å; R730-I732 PolarHBondContact O-N 2.82Å |
| 731 | A | 54.7 | Low | 72.4 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | trans | -37.6 | 97 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q727 E728 H733 | Q727-A731 PolarHBondContact O-N 3.32Å; E728-A731 VanDerWaalsContact O-CB 3.28Å; E728-A731 WeakPolarHBondContact O-CB 3.42Å; E728-A731 PolarHBondContact O-N 2.74Å; A731-H733 PolarHBondContact O-N 3.47Å; A731-H733 VanDerWaalsContact O-N 3.16Å; A731-H733 PolarHBondContact O-ND1 3.15Å | ||
| 732 | I | 58.2 | Low | 73.3 | Confident | 98 Ų | 98 | 69.7 Ų | 69.7 | 50% | 0.503 | 33% | 0.333 | S | S | . | . | trans | -65.7 | 122.4 | -170.5 | -58.3 | 178.7 | 0 | 0 | 0 | 106.9 | R730 L734 | R730-I732 WeakPolarHBondContact O-CG1 3.48Å; R730-I732 PolarHBondContact O-N 2.82Å; I732-L734 HydrophobicContact CB-CD2 4.26Å; I732-L734 HydrophobicContact CG2-CD2 4.09Å; I732-L734 PolarHBondContact O-N 3.23Å | ||
| 733 | H | 66.3 | Low | 74.1 | Confident | 163 Ų | 163 | 65.8 Ų | 65.8 | 76% | 0.755 | 31% | 0.314 | S | S | * | . | trans | -71.4 | 86.9 | 169 | -75.1 | 33.7 | 0 | 0 | 0 | 107 | A731 R735 | A731-H733 PolarHBondContact O-N 3.47Å; A731-H733 VanDerWaalsContact O-N 3.16Å; A731-H733 PolarHBondContact O-ND1 3.15Å; H733-R735 WeakPolarHBondContact O-CG 3.47Å; H733-R735 PolarHBondContact O-N 2.63Å | ||
| 734 | L | 77.7 | Confident | 75.1 | Confident | 19 Ų | 19 | 65.8 Ų | 65.8 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | trans | -53.6 | 124.3 | 177 | -56.6 | -176.9 | 0 | 0 | 0 | 109.1 | I113 K118 L380 I386 L416 I732 V740 | I113-L734 HydrophobicContact CD1-CD1 3.94Å; K118-L734 HydrophobicContact CD-CD1 3.94Å; L380-L734 HydrophobicContact CD1-CB 3.86Å; L380-L734 HydrophobicContact CD1-CD1 4.49Å; L380-L734 HydrophobicContact CD1-CD2 4.32Å; L380-L734 HydrophobicContact CD1-CG 4.44Å; I386-L734 HydrophobicContact CD1-CD1 4.21Å; L416-L734 HydrophobicContact CD2-CB 4.19Å; L416-L734 WeakPolarHBondContact CD2-O 3.49Å; I732-L734 HydrophobicContact CB-CD2 4.26Å; I732-L734 HydrophobicContact CG2-CD2 4.09Å; I732-L734 PolarHBondContact O-N 3.23Å; L734-V740 HydrophobicContact CD2-CG1 3.87Å | ||
| 735 | R | 79.9 | Confident | 75.6 | Confident | 134 Ų | 134 | 62.6 Ų | 62.6 | 51% | 0.506 | 30% | 0.299 | S | S | . | . | trans | -125.8 | 158.9 | 173.7 | -59.6 | 153.8 | -57.6 | 166.2 | 13.3 | 109.3 | H733 G737 D738 | H733-R735 WeakPolarHBondContact O-CG 3.47Å; H733-R735 PolarHBondContact O-N 2.63Å; R735-G737 PolarHBondContact O-N 2.68Å; R735-D738 WeakPolarHBondContact CB-OD2 3.45Å; R735-D738 IonicContact CZ-OD1 3.93Å; R735-D738 IonicContact CZ-OD2 3.68Å; R735-D738 PolarHBondContact N-OD2 3.1Å; R735-D738 IonicContact NE-OD1 2.71Å; R735-D738 IonicContact NE-OD2 3.79Å; R735-D738 PolarHBondContact NE-OD2 3.29Å; R735-D738 IonicContact NH2-OD1 3.31Å; R735-D738 PolarHBondContact NH2-OD1 3.28Å; R735-D738 IonicContact NH2-OD2 2.76Å; R735-D738 PolarHBondContact NH2-OD2 3.41Å; R735-D738 WeakPolarHBondContact O-CB 3.34Å; R735-D738 PolarHBondContact O-N 3.33Å; R735-D738 VanDerWaalsContact O-N 3.12Å | ||
| 736 | A | 82.1 | Confident | 76.3 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 12% | 0.116 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 136.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | E382 L416 | E382-A736 HydrophobicContact CB-CB 4.29Å; E382-A736 HydrophobicContact CG-CB 3.36Å; L416-A736 HydrophobicContact CB-CB 4.36Å |
| 737 | G | 82.9 | Confident | 77.3 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | -18.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L380 R735 | L380-G737 PolarHBondContact O-N 3.49Å; R735-G737 PolarHBondContact O-N 2.68Å |
| 738 | D | 85 | Confident | 78.4 | Confident | 37 Ų | 37 | 54.7 Ų | 54.7 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | trans | -68.4 | 139 | 170.8 | -68.7 | -39.6 | 0 | 0 | 0 | 109.7 | L380 R735 | L380-D738 PolarHBondContact N-O 2.83Å; R735-D738 WeakPolarHBondContact CB-OD2 3.45Å; R735-D738 IonicContact CZ-OD1 3.93Å; R735-D738 IonicContact CZ-OD2 3.68Å; R735-D738 PolarHBondContact N-OD2 3.1Å; R735-D738 IonicContact NE-OD1 2.71Å; R735-D738 IonicContact NE-OD2 3.79Å; R735-D738 PolarHBondContact NE-OD2 3.29Å; R735-D738 IonicContact NH2-OD1 3.31Å; R735-D738 PolarHBondContact NH2-OD1 3.28Å; R735-D738 IonicContact NH2-OD2 2.76Å; R735-D738 PolarHBondContact NH2-OD2 3.41Å; R735-D738 WeakPolarHBondContact O-CB 3.34Å; R735-D738 PolarHBondContact O-N 3.33Å; R735-D738 VanDerWaalsContact O-N 3.12Å | ||
| 739 | W | 88.7 | Confident | 79.6 | Confident | 78 Ų | 78 | 48 Ų | 48 | 30% | 0.295 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 138.6 | 172 | -72.4 | 85 | 0 | 0 | 0 | 109.8 | R129 P261 L262 Y378 K379 | R129-W739 HydrophobicContact CB-CH2 4.34Å; R129-W739 HydrophobicContact CB-CZ3 3.94Å; P261-W739 HydrophobicContact CB-CD2 3.92Å; P261-W739 HydrophobicContact CB-CG 4.15Å; P261-W739 HydrophobicContact CB-CZ2 4.01Å; L262-W739 HydrophobicContact CB-CB 4.41Å; L262-W739 HydrophobicContact CD1-CB 3.96Å; L262-W739 WeakPolarHBondContact CD1-O 3.04Å; L262-W739 HydrophobicContact CG-CB 3.79Å; Y378-W739 WeakPolarHBondContact O-CA 3.15Å; K379-W739 HydrophobicContact CB-CD2 3.82Å; K379-W739 HydrophobicContact CB-CE3 3.86Å; K379-W739 HydrophobicContact CB-CG 4.5Å; K379-W739 HydrophobicContact CB-CH2 3.97Å; K379-W739 HydrophobicContact CB-CZ2 3.93Å; K379-W739 HydrophobicContact CB-CZ3 3.93Å; K379-W739 HydrophobicContact CD-CZ2 4Å; K379-W739 HydrophobicContact CG-CD2 4.23Å; K379-W739 HydrophobicContact CG-CZ2 4.28Å |
| 740 | V | 89.2 | Confident | 81.2 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.9 | 179.8 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | I113 Y378 L380 L734 V742 | I113-V740 HydrophobicContact CG2-CB 4.2Å; I113-V740 HydrophobicContact CG2-CG1 4.48Å; I113-V740 HydrophobicContact CG2-CG2 4.28Å; Y378-V740 PolarHBondContact N-O 2.94Å; Y378-V740 PolarHBondContact O-N 3.45Å; L380-V740 HydrophobicContact CD1-CG1 4.14Å; L380-V740 HydrophobicContact CD1-CG2 4.43Å; L380-V740 HydrophobicContact CD2-CG2 4.02Å; L380-V740 HydrophobicContact CG-CG2 4.01Å; L734-V740 HydrophobicContact CD2-CG1 3.87Å; V740-V742 HydrophobicContact CG2-CG1 3.95Å |
| 741 | P | 90.2 | Very high | 82.9 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.6 | 166.3 | 31.5 | -33.2 | 0 | 0 | 0 | 109.6 | L114 Y194 Y377 | L114-P741 HydrophobicContact CB-CG 4.41Å; L114-P741 HydrophobicContact CD1-CB 4.47Å; L114-P741 PolarHBondContact N-O 3.11Å; Y194-P741 HydrophobicContact CD2-CB 3.4Å; Y194-P741 HydrophobicContact CD2-CG 3.54Å; Y194-P741 HydrophobicContact CE2-CB 3.81Å; Y194-P741 HydrophobicContact CE2-CG 3.61Å; Y194-P741 HydrophobicContact CG-CB 3.96Å; Y377-P741 HydrophobicContact CD1-CB 4.29Å; Y377-P741 HydrophobicContact CE1-CB 4.29Å |
| 742 | V | 89.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.4 | 175.1 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | A111 E112 I113 M120 L128 I375 W376 V740 I744 | A111-V742 HydrophobicContact CB-CB 4.11Å; A111-V742 HydrophobicContact CB-CG2 4.23Å; E112-V742 CarbonylContact O-C 3.55Å; E112-V742 VanDerWaalsContact O-CA 3.22Å; E112-V742 WeakPolarHBondContact O-CA 3.45Å; I113-V742 HydrophobicContact CG1-CG1 4.45Å; M120-V742 HydrophobicContact CE-CG1 3.9Å; L128-V742 HydrophobicContact CD2-CG2 4.01Å; I375-V742 WeakPolarHBondContact CA-O 3.25Å; W376-V742 HydrophobicContact CB-CG2 4.49Å; W376-V742 PolarHBondContact N-O 3.44Å; W376-V742 PolarHBondContact O-N 3.27Å; V740-V742 HydrophobicContact CG2-CG1 3.95Å; V742-I744 HydrophobicContact CG2-CD1 4.13Å |
| 743 | R | 87.6 | Confident | 86.5 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 129.3 | 168.5 | -179.7 | -177.4 | -77.6 | -165.9 | -12.1 | 109.4 | A111 E112 L114 D187 N192 D374 | A111-R743 CarbonylContact C-O 3.58Å; A111-R743 VanDerWaalsContact CA-O 3.3Å; A111-R743 WeakPolarHBondContact CA-O 3.37Å; E112-R743 PolarHBondContact N-O 3.39Å; E112-R743 PolarHBondContact O-N 3.37Å; L114-R743 HydrophobicContact CD1-CB 4.15Å; L114-R743 HydrophobicContact CD2-CB 3.82Å; L114-R743 HydrophobicContact CG-CB 4.04Å; D187-R743 IonicContact OD2-CZ 2.71Å; D187-R743 IonicContact OD2-NH1 3.84Å; D187-R743 PolarHBondContact OD2-NH1 3.34Å; D187-R743 IonicContact OD2-NH2 3.71Å; D187-R743 PolarHBondContact OD2-NH2 2.71Å; N192-R743 PolarHBondContact OD1-NH2 2.86Å; D374-R743 CarbonylContact O-C 3.47Å; D374-R743 VanDerWaalsContact O-CA 3.3Å; D374-R743 WeakPolarHBondContact O-CA 3.36Å |
| 744 | I | 87.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.7 | -177.9 | -58.1 | -67.8 | 0 | 0 | 0 | 109.5 | A109 A111 L128 C370 G373 D374 V742 | A109-I744 HydrophobicContact CB-CD1 3.95Å; A109-I744 HydrophobicContact CB-CG2 4.21Å; A111-I744 HydrophobicContact CB-CD1 4.03Å; L128-I744 HydrophobicContact CD1-CD1 4.17Å; L128-I744 HydrophobicContact CD2-CD1 4.22Å; C370-I744 VanDerWaalsContact SG-CG1 3.58Å; G373-I744 PolarHBondContact N-O 2.89Å; D374-I744 PolarHBondContact O-N 2.73Å; V742-I744 HydrophobicContact CG2-CD1 4.13Å |
| 745 | Y | 80.1 | Confident | 88.6 | Confident | 9 Ų | 9 | 21.7 Ų | 21.7 | 4% | 0.035 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | -28.2 | -162.9 | -153 | -80.1 | 0 | 0 | 0 | 113.1 | I25 R58 T59 F60 H110 V372 L399 | I25-Y745 HydrophobicContact CB-CE1 4.32Å; I25-Y745 HydrophobicContact CD1-CD1 4.17Å; I25-Y745 HydrophobicContact CD1-CE1 4.4Å; R58-Y745 PolarHBondContact O-OH 3.15Å; T59-Y745 WeakPolarHBondContact CA-OH 3.32Å; T59-Y745 PolarHBondContact N-OH 3.16Å; F60-Y745 HydrophobicContact CB-CE2 4.29Å; F60-Y745 AromaticContact CD1-CD2 3.68Å; F60-Y745 HydrophobicContact CD1-CD2 3.68Å; F60-Y745 HydrophobicContact CD1-CE1 4.43Å; F60-Y745 AromaticContact CD1-CE2 3.24Å; F60-Y745 HydrophobicContact CD1-CE2 3.24Å; F60-Y745 HydrophobicContact CD1-CG 4.42Å; F60-Y745 AromaticContact CD1-CZ 3.65Å; F60-Y745 HydrophobicContact CD2-CE1 4.34Å; F60-Y745 HydrophobicContact CD2-CE2 4.15Å; F60-Y745 AromaticContact CD2-CZ 3.7Å; F60-Y745 VanDerWaalsContact CD2-OH 3.27Å; F60-Y745 WeakPolarHBondContact CD2-OH 3.31Å; F60-Y745 HydrophobicContact CE1-CD1 4.08Å; F60-Y745 AromaticContact CE1-CD2 3.55Å; F60-Y745 HydrophobicContact CE1-CD2 3.55Å; F60-Y745 HydrophobicContact CE1-CE1 4.01Å; F60-Y745 AromaticContact CE1-CE2 3.47Å; F60-Y745 HydrophobicContact CE1-CE2 3.47Å; F60-Y745 VanDerWaalsContact CE1-CE2 3.47Å; F60-Y745 AromaticContact CE1-CG 3.85Å; F60-Y745 HydrophobicContact CE1-CG 3.85Å; F60-Y745 AromaticContact CE1-CZ 3.69Å; F60-Y745 AromaticContact CE2-CE1 3.94Å; F60-Y745 HydrophobicContact CE2-CE1 3.94Å; F60-Y745 HydrophobicContact CE2-CE2 4.36Å; F60-Y745 AromaticContact CE2-CZ 3.76Å; F60-Y745 HydrophobicContact CG-CD2 4.47Å; F60-Y745 AromaticContact CG-CE2 3.6Å; F60-Y745 HydrophobicContact CG-CE2 3.6Å; F60-Y745 AromaticContact CG-CZ 3.65Å; F60-Y745 WeakPolarHBondContact CG-OH 3.45Å; F60-Y745 HydrophobicContact CZ-CD1 4Å; F60-Y745 HydrophobicContact CZ-CD2 4.28Å; F60-Y745 AromaticContact CZ-CE1 3.75Å; F60-Y745 HydrophobicContact CZ-CE1 3.75Å; F60-Y745 HydrophobicContact CZ-CE2 4.04Å; F60-Y745 HydrophobicContact CZ-CG 4.25Å; F60-Y745 AromaticContact CZ-CZ 3.74Å; F60-Y745 PolarHBondContact N-OH 2.99Å; H110-Y745 WeakPolarHBondContact O-CB 3.31Å; H110-Y745 PolarHBondContact O-N 3.1Å; V372-Y745 WeakPolarHBondContact CG1-O 3.28Å; L399-Y745 HydrophobicContact CD1-CE1 3.99Å |
| 746 | A | 84.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 152.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | I25 L81 A109 H110 | I25-A746 HydrophobicContact CD1-CB 4.05Å; I25-A746 HydrophobicContact CG2-CB 4.29Å; L81-A746 HydrophobicContact CD2-CB 3.72Å; A109-A746 CarbonylContact C-O 3.59Å; A109-A746 VanDerWaalsContact CA-O 3.3Å; A109-A746 WeakPolarHBondContact CA-O 3.1Å; H110-A746 HydrophobicContact CB-CB 4.13Å; H110-A746 PolarHBondContact N-O 2.75Å |
| 747 | T | 89.5 | Confident | 89.6 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.012 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 163.8 | 164 | 59 | 0 | 0 | 0 | 0 | 109.7 | I12 D82 M107 T108 | I12-T747 WeakPolarHBondContact CD1-OG1 3.23Å; D82-T747 WeakPolarHBondContact CB-O 3.5Å; D82-T747 WeakPolarHBondContact OD2-CB 3.25Å; D82-T747 PolarHBondContact OD2-OG1 3.49Å; M107-T747 HydrophobicContact CE-CG2 3.93Å; M107-T747 HydrophobicContact CG-CG2 4.32Å; M107-T747 HydrophobicContact SD-CG2 3.54Å; M107-T747 VanDerWaalsContact SD-CG2 3.54Å; T108-T747 CarbonylContact O-C 3.42Å; T108-T747 WeakPolarHBondContact O-CA 3.25Å |
| 748 | N | 89.5 | Confident | 89.9 | Confident | 49 Ų | 49 | 18.5 Ų | 18.5 | 26% | 0.262 | 10% | 0.1 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 112.9 | 166 | 172.5 | 7.3 | 0 | 0 | 0 | 107 | D82 T108 | D82-N748 WeakPolarHBondContact OD2-CA 3.35Å; D82-N748 PolarHBondContact OD2-N 3.44Å; T108-N748 PolarHBondContact N-O 3.08Å; T108-N748 PolarHBondContact O-N 3.08Å; T108-N748 PolarHBondContact OG1-O 3.42Å |
| 749 | S | 91.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.1 | -164 | -56 | 0 | 0 | 0 | 0 | 112.5 | D82 M107 Y751 | D82-S749 WeakPolarHBondContact OD1-CB 3.43Å; D82-S749 PolarHBondContact OD1-N 2.96Å; D82-S749 VanDerWaalsContact OD2-CB 3.29Å; D82-S749 WeakPolarHBondContact OD2-CB 3.43Å; D82-S749 PolarHBondContact OD2-N 3.12Å; D82-S749 PolarHBondContact OD2-OG 2.89Å; M107-S749 PolarHBondContact SD-OG 2.84Å; M107-S749 VanDerWaalsContact SD-OG 3.42Å; S749-Y751 WeakPolarHBondContact CB-OH 3.45Å |
| 750 | V | 92.5 | Very high | 90.5 | Very high | 34 Ų | 34 | 18.7 Ų | 18.7 | 21% | 0.206 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.5 | -170.5 | -178.7 | 0 | 0 | 0 | 0 | 110 | R106 G763 V764 T765 | R106-V750 HydrophobicContact CB-CB 4.5Å; R106-V750 PolarHBondContact N-O 2.93Å; R106-V750 PolarHBondContact O-N 2.7Å; V750-G763 VanDerWaalsContact CG1-CA 3.48Å; V750-V764 CarbonylContact C-O 3.59Å; V750-V764 WeakPolarHBondContact CA-O 3.19Å; V750-T765 HydrophobicContact CG2-CG2 4.44Å |
| 751 | Y | 94 | Very high | 90.7 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 142.3 | -165.8 | -58.6 | -77.5 | 0 | 0 | 0 | 112.3 | R83 Y85 I102 V105 S749 G763 V764 I769 | R83-Y751 PolarHBondContact O-OH 2.88Å; Y85-Y751 HydrophobicContact CD2-CE1 4.41Å; Y85-Y751 HydrophobicContact CD2-CE2 4.1Å; Y85-Y751 AromaticContact CD2-CZ 3.87Å; Y85-Y751 PolarHBondContact N-OH 3.34Å; Y85-Y751 VanDerWaalsContact N-OH 3.16Å; I102-Y751 HydrophobicContact CD1-CD1 3.92Å; I102-Y751 HydrophobicContact CD1-CE1 4.31Å; I102-Y751 HydrophobicContact CD1-CG 4.49Å; I102-Y751 HydrophobicContact CG1-CD1 4.44Å; I102-Y751 HydrophobicContact CG2-CD1 3.89Å; V105-Y751 HydrophobicContact CB-CD1 4.48Å; V105-Y751 HydrophobicContact CB-CE1 4.33Å; V105-Y751 HydrophobicContact CG1-CD1 4.27Å; V105-Y751 HydrophobicContact CG1-CE1 3.75Å; V105-Y751 HydrophobicContact CG2-CD1 3.91Å; V105-Y751 HydrophobicContact CG2-CE1 3.79Å; S749-Y751 WeakPolarHBondContact CB-OH 3.45Å; Y751-G763 PolarHBondContact O-N 3.47Å; Y751-G763 VanDerWaalsContact O-N 3.12Å; Y751-V764 PolarHBondContact N-O 3.03Å; Y751-V764 PolarHBondContact O-N 2.84Å; Y751-I769 HydrophobicContact CD2-CD1 3.85Å; Y751-I769 HydrophobicContact CE2-CD1 4.31Å; Y751-I769 HydrophobicContact CG-CD1 4.28Å |
| 752 | D | 94.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 27.7 Ų | 27.7 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 116 | 164.4 | -55.1 | -40 | 0 | 0 | 0 | 107.7 | S103 N104 R106 S761 K762 G763 | S103-D752 PolarHBondContact N-O 2.95Å; S103-D752 PolarHBondContact OG-O 2.84Å; N104-D752 HydrophobicContact CB-CB 4.19Å; N104-D752 PolarHBondContact N-O 3.42Å; N104-D752 PolarHBondContact ND2-OD2 2.58Å; N104-D752 PolarHBondContact O-N 2.83Å; R106-D752 IonicContact CZ-OD1 3.44Å; R106-D752 IonicContact CZ-OD2 3.93Å; R106-D752 IonicContact NE-OD1 3.06Å; R106-D752 IonicContact NE-OD2 3.04Å; R106-D752 PolarHBondContact NE-OD2 3.31Å; R106-D752 IonicContact NH2-OD1 2.66Å; R106-D752 PolarHBondContact NH2-OD1 2.91Å; R106-D752 IonicContact NH2-OD2 2.97Å; R106-D752 PolarHBondContact NH2-OD2 3.17Å; D752-S761 CarbonylContact C-O 3.57Å; D752-S761 WeakPolarHBondContact CA-O 3.15Å; D752-K762 HydrophobicContact CB-CG 4.23Å; D752-K762 WeakPolarHBondContact OD1-CA 3.37Å; D752-K762 VanDerWaalsContact OD1-CB 3.29Å; D752-K762 WeakPolarHBondContact OD1-CB 3.29Å; D752-G763 PolarHBondContact OD1-N 2.96Å |
| 753 | I | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.5 | -167.1 | -52.8 | 175.4 | 0 | 0 | 0 | 109.8 | V91 T101 I102 W755 V760 S761 V764 I769 | V91-I753 HydrophobicContact CG2-CD1 3.98Å; V91-I753 HydrophobicContact CG2-CG2 4.18Å; T101-I753 WeakPolarHBondContact O-CA 3.15Å; T101-I753 WeakPolarHBondContact O-CG2 3.35Å; I102-I753 HydrophobicContact CG1-CG1 4.36Å; I753-W755 HydrophobicContact CB-CH2 4.24Å; I753-W755 HydrophobicContact CB-CZ2 3.93Å; I753-W755 HydrophobicContact CD1-CH2 3.71Å; I753-W755 HydrophobicContact CD1-CZ2 3.88Å; I753-W755 HydrophobicContact CG1-CZ2 4.49Å; I753-W755 HydrophobicContact CG2-CD2 3.94Å; I753-W755 HydrophobicContact CG2-CE3 3.91Å; I753-W755 HydrophobicContact CG2-CH2 3.75Å; I753-W755 HydrophobicContact CG2-CZ2 3.82Å; I753-W755 HydrophobicContact CG2-CZ3 3.8Å; I753-V760 CarbonylContact O-C 3.51Å; I753-V760 WeakPolarHBondContact O-CA 3.37Å; I753-S761 PolarHBondContact N-O 3.19Å; I753-S761 PolarHBondContact O-N 3.23Å; I753-V764 HydrophobicContact CD1-CB 3.87Å; I753-V764 HydrophobicContact CD1-CG1 3.89Å; I753-V764 HydrophobicContact CD1-CG2 4.03Å; I753-V764 HydrophobicContact CG1-CB 4.47Å; I753-V764 HydrophobicContact CG1-CG2 4.4Å; I753-I769 HydrophobicContact CD1-CD1 4.29Å; I753-I769 HydrophobicContact CD1-CG2 3.86Å |
| 754 | K | 93.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 108.9 | 174.2 | -162.3 | 174.9 | -151 | 158.7 | 0 | 108.5 | G100 T101 V760 P782 Y892 D916 I917 | G100-K754 CarbonylContact C-O 3.47Å; G100-K754 WeakPolarHBondContact CA-O 3.38Å; T101-K754 PolarHBondContact N-O 2.78Å; T101-K754 PolarHBondContact O-N 3.11Å; K754-V760 HydrophobicContact CB-CG2 4.4Å; K754-V760 HydrophobicContact CG-CG2 3.99Å; K754-P782 HydrophobicContact CD-CB 4.23Å; K754-P782 HydrophobicContact CG-CB 4.34Å; K754-Y892 WeakPolarHBondContact CD-OH 3.38Å; K754-Y892 PolarHBondContact NZ-OH 3.49Å; K754-D916 IonicContact NZ-OD1 2.58Å; K754-D916 PolarHBondContact NZ-OD1 3.4Å; K754-I917 PolarHBondContact NZ-O 3.23Å |
| 755 | W | 94.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 159 | -174.9 | -56.6 | 108.5 | 0 | 0 | 0 | 111.7 | N93 M98 I753 D757 G758 S759 S761 I769 P782 | N93-W755 HydrophobicContact CB-CH2 3.66Å; N93-W755 HydrophobicContact CB-CZ2 4.43Å; N93-W755 HydrophobicContact CB-CZ3 3.76Å; M98-W755 HydrophobicContact CE-CB 3.68Å; M98-W755 HydrophobicContact CE-CD2 4.03Å; M98-W755 HydrophobicContact CE-CG 3.61Å; M98-W755 HydrophobicContact CG-CB 4.15Å; M98-W755 HydrophobicContact CG-CE3 4.22Å; M98-W755 HydrophobicContact SD-CB 3.89Å; M98-W755 HydrophobicContact SD-CG 4.42Å; I753-W755 HydrophobicContact CB-CH2 4.24Å; I753-W755 HydrophobicContact CB-CZ2 3.93Å; I753-W755 HydrophobicContact CD1-CH2 3.71Å; I753-W755 HydrophobicContact CD1-CZ2 3.88Å; I753-W755 HydrophobicContact CG1-CZ2 4.49Å; I753-W755 HydrophobicContact CG2-CD2 3.94Å; I753-W755 HydrophobicContact CG2-CE3 3.91Å; I753-W755 HydrophobicContact CG2-CH2 3.75Å; I753-W755 HydrophobicContact CG2-CZ2 3.82Å; I753-W755 HydrophobicContact CG2-CZ3 3.8Å; W755-D757 WeakPolarHBondContact CB-OD1 3.37Å; W755-D757 PolarHBondContact O-N 3.15Å; W755-D757 VanDerWaalsContact O-N 3.14Å; W755-G758 PolarHBondContact O-N 2.84Å; W755-S759 VanDerWaalsContact CD1-OG 3.31Å; W755-S759 PolarHBondContact N-O 3.24Å; W755-S761 VanDerWaalsContact NE1-CB 3.29Å; W755-S761 PolarHBondContact NE1-OG 3.49Å; W755-I769 HydrophobicContact CH2-CG2 4.29Å; W755-P782 VanDerWaalsContact O-CG 3.31Å; W755-P782 WeakPolarHBondContact O-CG 3.48Å |
| 756 | I | 92.1 | Very high | 91.8 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.4 | -177.1 | -167.1 | 160.6 | 0 | 0 | 0 | 114 | M98 V99 G758 Y779 F781 Y844 T846 | M98-I756 HydrophobicContact CG-CG2 4Å; V99-I756 WeakPolarHBondContact O-CB 3.45Å; V99-I756 WeakPolarHBondContact O-CG2 3.17Å; V99-I756 PolarHBondContact O-N 2.87Å; I756-G758 PolarHBondContact O-N 3.25Å; I756-Y779 HydrophobicContact CD1-CD1 3.49Å; I756-Y779 VanDerWaalsContact CD1-CD1 3.49Å; I756-Y779 HydrophobicContact CD1-CE1 4.42Å; I756-Y779 HydrophobicContact CD1-CG 4.19Å; I756-F781 HydrophobicContact CB-CD1 4.3Å; I756-F781 HydrophobicContact CB-CE1 4.27Å; I756-F781 HydrophobicContact CD1-CE1 4.23Å; I756-F781 HydrophobicContact CG1-CD1 4.4Å; I756-F781 HydrophobicContact CG1-CE1 4.48Å; I756-Y844 HydrophobicContact CD1-CD1 3.67Å; I756-Y844 HydrophobicContact CD1-CE1 4.43Å; I756-Y844 HydrophobicContact CD1-CG 4.2Å; I756-Y844 HydrophobicContact CG1-CD1 4.06Å; I756-Y844 HydrophobicContact CG1-CG 4.27Å; I756-Y844 PolarHBondContact O-N 3.42Å; I756-T846 HydrophobicContact CD1-CG2 4.23Å |
| 757 | D | 91.1 | Very high | 91.9 | Very high | 78 Ų | 78 | 35 Ų | 35 | 42% | 0.417 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 0.8 | 174.8 | 75.8 | -21 | 0 | 0 | 0 | 114.3 | M98 W755 S759 S843 | M98-D757 HydrophobicContact SD-CB 4.12Å; W755-D757 WeakPolarHBondContact CB-OD1 3.37Å; W755-D757 PolarHBondContact O-N 3.15Å; W755-D757 VanDerWaalsContact O-N 3.14Å; D757-S759 VanDerWaalsContact C-N 3.34Å; D757-S759 WeakPolarHBondContact OD1-CB 3.07Å; D757-S759 PolarHBondContact OD1-N 2.77Å; D757-S759 PolarHBondContact OD1-OG 2.51Å; D757-S759 PolarHBondContact OD2-OG 3.17Å; D757-S843 VanDerWaalsContact C-CB 3.45Å; D757-S843 WeakPolarHBondContact O-CB 3.33Å |
| 758 | G | 89 | Confident | 91.9 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 33% | 0.33 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 87.8 | -6.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | W755 I756 | W755-G758 PolarHBondContact O-N 2.84Å; I756-G758 PolarHBondContact O-N 3.25Å |
| 759 | S | 92.3 | Very high | 92.1 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | trans | -75.3 | 156.6 | 176.8 | 72.6 | 0 | 0 | 0 | 0 | 112.1 | W755 D757 | W755-S759 VanDerWaalsContact CD1-OG 3.31Å; W755-S759 PolarHBondContact N-O 3.24Å; D757-S759 VanDerWaalsContact C-N 3.34Å; D757-S759 WeakPolarHBondContact OD1-CB 3.07Å; D757-S759 PolarHBondContact OD1-N 2.77Å; D757-S759 PolarHBondContact OD1-OG 2.51Å; D757-S759 PolarHBondContact OD2-OG 3.17Å | ||
| 760 | V | 92.6 | Very high | 91.9 | Very high | 74 Ų | 74 | 38.4 Ų | 38.4 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 118.2 | 179.9 | 177.5 | 0 | 0 | 0 | 0 | 110 | I753 K754 K762 | I753-V760 CarbonylContact O-C 3.51Å; I753-V760 WeakPolarHBondContact O-CA 3.37Å; K754-V760 HydrophobicContact CB-CG2 4.4Å; K754-V760 HydrophobicContact CG-CG2 3.99Å; V760-K762 HydrophobicContact CG1-CG 4.02Å |
| 761 | S | 94.1 | Very high | 91.6 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.7 | 167.5 | -70.5 | 0 | 0 | 0 | 0 | 109.8 | D752 I753 W755 V764 | D752-S761 CarbonylContact C-O 3.57Å; D752-S761 WeakPolarHBondContact CA-O 3.15Å; I753-S761 PolarHBondContact N-O 3.19Å; I753-S761 PolarHBondContact O-N 3.23Å; W755-S761 VanDerWaalsContact NE1-CB 3.29Å; W755-S761 PolarHBondContact NE1-OG 3.49Å; S761-V764 VanDerWaalsContact CB-CG2 3.44Å |
| 762 | K | 93.3 | Very high | 91.1 | Very high | 161 Ų | 161 | 41.9 Ų | 41.9 | 70% | 0.7 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141.2 | 171.6 | -60.4 | -165.4 | 178.3 | -170.5 | 0 | 110.5 | D752 V760 | D752-K762 HydrophobicContact CB-CG 4.23Å; D752-K762 WeakPolarHBondContact OD1-CA 3.37Å; D752-K762 VanDerWaalsContact OD1-CB 3.29Å; D752-K762 WeakPolarHBondContact OD1-CB 3.29Å; V760-K762 HydrophobicContact CG1-CG 4.02Å |
| 763 | G | 91.8 | Very high | 89.5 | Confident | 38 Ų | 38 | 45.8 Ų | 45.8 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.6 | 29.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V750 Y751 D752 | V750-G763 VanDerWaalsContact CG1-CA 3.48Å; Y751-G763 PolarHBondContact O-N 3.47Å; Y751-G763 VanDerWaalsContact O-N 3.12Å; D752-G763 PolarHBondContact OD1-N 2.96Å |
| 764 | V | 92.7 | Very high | 87.9 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 134.5 | 177.7 | -173.3 | 0 | 0 | 0 | 0 | 110 | V750 Y751 I753 S761 K768 I769 | V750-V764 CarbonylContact C-O 3.59Å; V750-V764 WeakPolarHBondContact CA-O 3.19Å; Y751-V764 PolarHBondContact N-O 3.03Å; Y751-V764 PolarHBondContact O-N 2.84Å; I753-V764 HydrophobicContact CD1-CB 3.87Å; I753-V764 HydrophobicContact CD1-CG1 3.89Å; I753-V764 HydrophobicContact CD1-CG2 4.03Å; I753-V764 HydrophobicContact CG1-CB 4.47Å; I753-V764 HydrophobicContact CG1-CG2 4.4Å; S761-V764 VanDerWaalsContact CB-CG2 3.44Å; V764-K768 HydrophobicContact CG1-CB 4.28Å; V764-I769 HydrophobicContact CG1-CG2 4.02Å |
| 765 | T | 91.8 | Very high | 86.2 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 24% | 0.239 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 152.4 | 178.6 | 43.4 | 0 | 0 | 0 | 0 | 111.8 | V750 D767 K768 | V750-T765 HydrophobicContact CG2-CG2 4.44Å; T765-D767 WeakPolarHBondContact CB-OD1 3.47Å; T765-D767 PolarHBondContact O-N 2.95Å; T765-D767 PolarHBondContact OG1-OD1 2.83Å; T765-K768 PolarHBondContact O-N 3.03Å; T765-K768 VanDerWaalsContact O-N 3.11Å |
| 766 | S | 89.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -61.9 | -19.9 | -174.8 | 42.4 | 0 | 0 | 0 | 0 | 114.5 | D82 K768 | D82-S766 WeakPolarHBondContact OD1-CB 3.45Å; D82-S766 PolarHBondContact OD1-OG 2.71Å; S766-K768 PolarHBondContact O-N 2.7Å |
| 767 | D | 86.6 | Confident | 83 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 43% | 0.428 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -68.7 | -14.5 | 174 | 71.1 | -49.3 | 0 | 0 | 0 | 114.4 | F80 L94 T765 | F80-D767 HydrophobicContact CD1-CB 4.09Å; F80-D767 HydrophobicContact CE1-CB 4.08Å; L94-D767 WeakPolarHBondContact CD1-O 3.5Å; T765-D767 WeakPolarHBondContact CB-OD1 3.47Å; T765-D767 PolarHBondContact O-N 2.95Å; T765-D767 PolarHBondContact OG1-OD1 2.83Å |
| 768 | K | 90.2 | Very high | 81.7 | Confident | 81 Ų | 81 | 64.2 Ų | 64.2 | 35% | 0.352 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -106.2 | 0.8 | -175.2 | -70.2 | 166.4 | -169.8 | 163.5 | 0 | 114 | L94 V764 T765 S766 | L94-K768 PolarHBondContact N-O 3.37Å; V764-K768 HydrophobicContact CG1-CB 4.28Å; T765-K768 PolarHBondContact O-N 3.03Å; T765-K768 VanDerWaalsContact O-N 3.11Å; S766-K768 PolarHBondContact O-N 2.7Å |
| 769 | I | 91.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 152.7 | -174.5 | 54.4 | 175.6 | 0 | 0 | 0 | 111.6 | R83 Y85 V91 Q92 Y751 I753 W755 V764 | R83-I769 PolarHBondContact NH1-O 2.96Å; Y85-I769 HydrophobicContact CD2-CD1 3.9Å; Y85-I769 HydrophobicContact CE2-CD1 3.69Å; Y85-I769 HydrophobicContact CE2-CG1 3.87Å; V91-I769 HydrophobicContact CB-CB 4.3Å; V91-I769 HydrophobicContact CG1-CD1 4.5Å; V91-I769 HydrophobicContact CG2-CG2 4.38Å; Q92-I769 WeakPolarHBondContact O-CA 3.47Å; Y751-I769 HydrophobicContact CD2-CD1 3.85Å; Y751-I769 HydrophobicContact CE2-CD1 4.31Å; Y751-I769 HydrophobicContact CG-CD1 4.28Å; I753-I769 HydrophobicContact CD1-CD1 4.29Å; I753-I769 HydrophobicContact CD1-CG2 3.86Å; W755-I769 HydrophobicContact CH2-CG2 4.29Å; V764-I769 HydrophobicContact CG1-CG2 4.02Å |
| 770 | L | 89 | Confident | 80.9 | Confident | 45 Ų | 45 | 64.5 Ų | 64.5 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.1 | 166.8 | -75.8 | 178.7 | 0 | 0 | 0 | 109.7 | F8 Y85 V91 Q92 L94 F772 | F8-L770 HydrophobicContact CD2-CD2 4.31Å; F8-L770 HydrophobicContact CE2-CD2 3.63Å; F8-L770 HydrophobicContact CZ-CD1 4.19Å; F8-L770 HydrophobicContact CZ-CD2 3.76Å; Y85-L770 VanDerWaalsContact OH-CA 3.31Å; Y85-L770 WeakPolarHBondContact OH-CA 3.44Å; V91-L770 CarbonylContact C-O 3.51Å; V91-L770 VanDerWaalsContact CA-O 3.25Å; V91-L770 WeakPolarHBondContact CA-O 3.14Å; V91-L770 WeakPolarHBondContact CB-O 3.47Å; Q92-L770 PolarHBondContact N-O 3.4Å; Q92-L770 PolarHBondContact O-N 3.41Å; L94-L770 HydrophobicContact CD1-CG 4.4Å; L94-L770 HydrophobicContact CD2-CD1 3.63Å; L94-L770 HydrophobicContact CD2-CG 3.86Å; L94-L770 HydrophobicContact CG-CG 4.28Å; L770-F772 PolarHBondContact O-N 2.91Å |
| 771 | S | 85.6 | Confident | 80.6 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 51% | 0.51 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 133.4 | 169.4 | -36.9 | 0 | 0 | 0 | 0 | 109.3 | Y85 G773 | Y85-S771 WeakPolarHBondContact CE1-OG 3.23Å; Y85-S771 PolarHBondContact OH-N 3.13Å; S771-G773 PolarHBondContact O-N 2.69Å; S771-G773 VanDerWaalsContact O-N 3.14Å |
| 772 | F | 83.2 | Confident | 80.4 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | trans | -84.4 | 89.6 | -178.4 | -178.2 | -104.5 | 0 | 0 | 0 | 111.3 | V90 Q92 V99 L770 G774 T776 Y779 | V90-F772 HydrophobicContact CG1-CB 3.98Å; V90-F772 HydrophobicContact CG1-CD1 4.2Å; V90-F772 HydrophobicContact CG1-CG 4.4Å; V90-F772 WeakPolarHBondContact O-CB 3.41Å; V90-F772 PolarHBondContact O-N 3.03Å; Q92-F772 HydrophobicContact CB-CD2 4.18Å; V99-F772 HydrophobicContact CG1-CB 4.12Å; V99-F772 HydrophobicContact CG1-CD1 4.14Å; V99-F772 HydrophobicContact CG1-CD2 4.15Å; V99-F772 HydrophobicContact CG1-CG 3.86Å; V99-F772 HydrophobicContact CG2-CD2 3.73Å; V99-F772 HydrophobicContact CG2-CE2 3.72Å; V99-F772 HydrophobicContact CG2-CG 4.28Å; V99-F772 HydrophobicContact CG2-CZ 4.29Å; L770-F772 PolarHBondContact O-N 2.91Å; F772-G774 WeakPolarHBondContact CE1-O 3.07Å; F772-G774 PolarHBondContact O-N 2.86Å; F772-T776 HydrophobicContact CD1-CG2 3.99Å; F772-T776 HydrophobicContact CE1-CG2 4.36Å; F772-Y779 HydrophobicContact CE1-CD2 4.12Å; F772-Y779 AromaticContact CE1-CE2 3.67Å; F772-Y779 HydrophobicContact CE1-CE2 3.67Å; F772-Y779 HydrophobicContact CZ-CD2 4.49Å; F772-Y779 AromaticContact CZ-CE2 3.65Å; F772-Y779 HydrophobicContact CZ-CE2 3.65Å; F772-Y779 AromaticContact CZ-CZ 3.89Å | ||
| 773 | G | 61 | Low | 80.2 | Confident | 91 Ų | 91 | 51.4 Ų | 51.4 | 94% | 0.938 | 30% | 0.3 | S | S | * | . | trans | -74.1 | 22.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S771 | S771-G773 PolarHBondContact O-N 2.69Å; S771-G773 VanDerWaalsContact O-N 3.14Å | ||
| 774 | G | 60.2 | Low | 80 | Confident | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -97.7 | 157.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F772 T776 | F772-G774 WeakPolarHBondContact CE1-O 3.07Å; F772-G774 PolarHBondContact O-N 2.86Å; G774-T776 PolarHBondContact O-N 3.12Å |
| 775 | H | 57.7 | Low | 79.7 | Confident | 126 Ų | 126 | 51.3 Ų | 51.3 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | trans | -56.2 | 109.2 | 177.7 | -60.1 | -64.8 | 0 | 0 | 0 | 111.5 | ||||
| 776 | T | 59.7 | Low | 79.5 | Confident | 64 Ų | 64 | 49.5 Ų | 49.5 | 39% | 0.393 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -77.5 | -20.1 | -176.3 | 46.1 | 0 | 0 | 0 | 0 | 113.4 | V90 F772 G774 H778 Y779 | V90-T776 HydrophobicContact CB-CG2 4.43Å; V90-T776 HydrophobicContact CG1-CG2 4.34Å; V90-T776 HydrophobicContact CG2-CG2 4.33Å; F772-T776 HydrophobicContact CD1-CG2 3.99Å; F772-T776 HydrophobicContact CE1-CG2 4.36Å; G774-T776 PolarHBondContact O-N 3.12Å; T776-H778 PolarHBondContact O-N 2.85Å; T776-Y779 PolarHBondContact O-N 3.32Å |
| 777 | E | 59.3 | Low | 79.2 | Confident | 133 Ų | 133 | 49.9 Ų | 49.9 | 62% | 0.621 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -58.3 | -14.7 | -175.8 | -63 | -162.9 | 136.1 | 0 | 0 | 114.9 | R1164 | E777-R1164 IonicContact OE1-CZ 2.67Å; E777-R1164 VanDerWaalsContact OE1-CZ 3.31Å; E777-R1164 IonicContact OE1-NH1 2.65Å; E777-R1164 PolarHBondContact OE1-NH1 2.98Å; E777-R1164 IonicContact OE1-NH2 3.12Å; E777-R1164 PolarHBondContact OE1-NH2 2.92Å |
| 778 | H | 65 | Low | 78.9 | Confident | 134 Ų | 134 | 46.5 Ų | 46.5 | 62% | 0.62 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -99.5 | -5.7 | 178.6 | -56.2 | -32.2 | 0 | 0 | 0 | 114.4 | T776 Y844 | T776-H778 PolarHBondContact O-N 2.85Å; H778-Y844 PolarHBondContact O-OH 2.67Å |
| 779 | Y | 77.6 | Confident | 78.3 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 26% | 0.255 | 25% | 0.249 | S | C | . | . | trans | -103.9 | 125.5 | -176.3 | -66.2 | -83.5 | 0 | 0 | 0 | 111.6 | I756 F772 T776 Y844 T846 | I756-Y779 HydrophobicContact CD1-CD1 3.49Å; I756-Y779 VanDerWaalsContact CD1-CD1 3.49Å; I756-Y779 HydrophobicContact CD1-CE1 4.42Å; I756-Y779 HydrophobicContact CD1-CG 4.19Å; F772-Y779 HydrophobicContact CE1-CD2 4.12Å; F772-Y779 AromaticContact CE1-CE2 3.67Å; F772-Y779 HydrophobicContact CE1-CE2 3.67Å; F772-Y779 HydrophobicContact CZ-CD2 4.49Å; F772-Y779 AromaticContact CZ-CE2 3.65Å; F772-Y779 HydrophobicContact CZ-CE2 3.65Å; F772-Y779 AromaticContact CZ-CZ 3.89Å; T776-Y779 PolarHBondContact O-N 3.32Å; Y779-Y844 HydrophobicContact CD1-CE1 4.46Å; Y779-T846 HydrophobicContact CD1-CG2 4.2Å; Y779-T846 HydrophobicContact CE1-CG2 3.84Å | ||
| 780 | L | 85.4 | Confident | 77 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | trans | -99.7 | 101.6 | 177 | -56.7 | 172.2 | 0 | 0 | 0 | 109.7 | F784 V786 A841 Y844 C851 I882 | L780-F784 HydrophobicContact CD2-CD2 4.34Å; L780-V786 HydrophobicContact CD1-CG1 4.13Å; L780-V786 HydrophobicContact CD2-CG1 4.19Å; L780-A841 HydrophobicContact CB-CB 4.43Å; L780-Y844 HydrophobicContact CB-CD2 3.71Å; L780-Y844 HydrophobicContact CB-CE2 4.26Å; L780-Y844 HydrophobicContact CB-CG 4.45Å; L780-Y844 HydrophobicContact CD1-CD2 4.04Å; L780-Y844 HydrophobicContact CD1-CE2 4.12Å; L780-Y844 HydrophobicContact CG-CD2 4.04Å; L780-Y844 HydrophobicContact CG-CE2 4.11Å; L780-Y844 VanDerWaalsContact O-CB 3.25Å; L780-Y844 WeakPolarHBondContact O-CB 3.34Å; L780-C851 HydrophobicContact CD1-CB 4.4Å; L780-I882 HydrophobicContact CD1-CD1 3.52Å; L780-I882 HydrophobicContact CD1-CG1 4.21Å | ||
| 781 | F | 88.1 | Confident | 75.4 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | trans | -79.9 | 152.5 | -179.5 | -65.5 | -84.2 | 0 | 0 | 0 | 112.3 | V90 V99 T101 I756 G783 F784 | V90-F781 HydrophobicContact CG1-CE1 4.13Å; V90-F781 HydrophobicContact CG1-CE2 4.16Å; V90-F781 HydrophobicContact CG1-CZ 3.51Å; V90-F781 HydrophobicContact CG2-CE2 4.34Å; V90-F781 HydrophobicContact CG2-CZ 4.43Å; V99-F781 HydrophobicContact CB-CE1 4.43Å; V99-F781 HydrophobicContact CG1-CE1 3.93Å; V99-F781 HydrophobicContact CG1-CZ 3.87Å; T101-F781 HydrophobicContact CG2-CB 4.44Å; T101-F781 HydrophobicContact CG2-CD1 4.12Å; T101-F781 HydrophobicContact CG2-CD2 4.44Å; T101-F781 HydrophobicContact CG2-CG 4.07Å; I756-F781 HydrophobicContact CB-CD1 4.3Å; I756-F781 HydrophobicContact CB-CE1 4.27Å; I756-F781 HydrophobicContact CD1-CE1 4.23Å; I756-F781 HydrophobicContact CG1-CD1 4.4Å; I756-F781 HydrophobicContact CG1-CE1 4.48Å; F781-G783 PolarHBondContact O-N 3.14Å; F781-F784 HydrophobicContact CB-CD1 3.93Å; F781-F784 HydrophobicContact CB-CE1 3.78Å; F781-F784 HydrophobicContact CB-CG 4.45Å; F781-F784 HydrophobicContact CB-CZ 4.14Å; F781-F784 HydrophobicContact CD2-CE1 4.21Å; F781-F784 HydrophobicContact CD2-CE2 4.05Å; F781-F784 AromaticContact CD2-CZ 3.72Å; F781-F784 HydrophobicContact CD2-CZ 3.72Å; F781-F784 HydrophobicContact CG-CE1 4.46Å; F781-F784 HydrophobicContact CG-CZ 4.41Å; F781-F784 VanDerWaalsContact O-CB 3.24Å; F781-F784 WeakPolarHBondContact O-CB 3.29Å; F781-F784 WeakPolarHBondContact O-CD1 3.37Å; F781-F784 WeakPolarHBondContact O-CG 3.3Å; F781-F784 PolarHBondContact O-N 3.12Å | ||
| 782 | P | 89.8 | Confident | 73.6 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 123.9 | 177.4 | -27.2 | 34.8 | 0 | 0 | 0 | 112.9 | K754 W755 A841 L842 | K754-P782 HydrophobicContact CD-CB 4.23Å; K754-P782 HydrophobicContact CG-CB 4.34Å; W755-P782 VanDerWaalsContact O-CG 3.31Å; W755-P782 WeakPolarHBondContact O-CG 3.48Å; P782-A841 WeakPolarHBondContact CA-O 3.36Å; P782-L842 WeakPolarHBondContact CB-O 3.4Å; P782-L842 WeakPolarHBondContact CG-O 3.47Å |
| 783 | G | 87.9 | Confident | 71.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | -3.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F781 A841 R938 | F781-G783 PolarHBondContact O-N 3.14Å; G783-A841 PolarHBondContact N-O 3.35Å; G783-R938 PolarHBondContact O-NH1 3.13Å |
| 784 | F | 88.1 | Confident | 69.9 | Low | 49 Ų | 49 | 49.8 Ų | 49.8 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | trans | -69 | 142.2 | 172.3 | -83.8 | 27.4 | 0 | 0 | 0 | 111.7 | L780 F781 V840 A841 Q889 | L780-F784 HydrophobicContact CD2-CD2 4.34Å; F781-F784 HydrophobicContact CB-CD1 3.93Å; F781-F784 HydrophobicContact CB-CE1 3.78Å; F781-F784 HydrophobicContact CB-CG 4.45Å; F781-F784 HydrophobicContact CB-CZ 4.14Å; F781-F784 HydrophobicContact CD2-CE1 4.21Å; F781-F784 HydrophobicContact CD2-CE2 4.05Å; F781-F784 AromaticContact CD2-CZ 3.72Å; F781-F784 HydrophobicContact CD2-CZ 3.72Å; F781-F784 HydrophobicContact CG-CE1 4.46Å; F781-F784 HydrophobicContact CG-CZ 4.41Å; F781-F784 VanDerWaalsContact O-CB 3.24Å; F781-F784 WeakPolarHBondContact O-CB 3.29Å; F781-F784 WeakPolarHBondContact O-CD1 3.37Å; F781-F784 WeakPolarHBondContact O-CG 3.3Å; F781-F784 PolarHBondContact O-N 3.12Å; F784-V840 WeakPolarHBondContact O-CA 3.31Å; F784-A841 HydrophobicContact CB-CB 4.37Å; F784-A841 PolarHBondContact O-N 3.48Å; F784-Q889 VanDerWaalsContact CD1-NE2 3.33Å | ||
| 785 | L | 86.9 | Confident | 68.4 | Low | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.9 | 174.1 | -66.6 | -175 | 0 | 0 | 0 | 111.6 | L838 V840 G884 S885 | L785-L838 HydrophobicContact CB-CD1 4.16Å; L785-L838 HydrophobicContact CD1-CD1 4.33Å; L785-L838 HydrophobicContact CD1-CD2 4.47Å; L785-L838 HydrophobicContact CD2-CD1 4.16Å; L785-L838 HydrophobicContact CD2-CD2 4.12Å; L785-L838 HydrophobicContact CD2-CG 4.23Å; L785-L838 HydrophobicContact CG-CD1 4.46Å; L785-V840 HydrophobicContact CD2-CG2 3.98Å; L785-G884 WeakPolarHBondContact O-CA 3.41Å; L785-S885 WeakPolarHBondContact CB-OG 3.41Å; L785-S885 PolarHBondContact O-N 3.36Å; L785-S885 VanDerWaalsContact O-N 3.08Å |
| 786 | V | 87 | Confident | 67 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 153.6 | -177.6 | -63.9 | 0 | 0 | 0 | 0 | 112 | L780 G839 V853 S883 | L780-V786 HydrophobicContact CD1-CG1 4.13Å; L780-V786 HydrophobicContact CD2-CG1 4.19Å; V786-G839 PolarHBondContact N-O 2.83Å; V786-G839 PolarHBondContact O-N 2.77Å; V786-V853 HydrophobicContact CG2-CB 4.47Å; V786-V853 HydrophobicContact CG2-CG1 3.57Å; V786-V853 HydrophobicContact CG2-CG2 3.99Å; V786-S883 WeakPolarHBondContact CA-O 3.43Å |
| 787 | S | 83.4 | Confident | 65.4 | Low | 12 Ų | 12 | 60.6 Ų | 60.6 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 142.1 | -176.6 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | K792 I882 S883 | S787-K792 WeakPolarHBondContact OG-CE 3.16Å; S787-K792 PolarHBondContact OG-NZ 2.92Å; S787-I882 CarbonylContact O-C 3.55Å; S787-I882 WeakPolarHBondContact O-CA 3.3Å; S787-S883 PolarHBondContact N-O 2.84Å; S787-S883 PolarHBondContact O-N 2.84Å; S787-S883 PolarHBondContact O-OG 2.87Å; S787-S883 PolarHBondContact OG-O 3Å; S787-S883 PolarHBondContact OG-OG 3.45Å |
| 788 | L | 80.9 | Confident | 63.7 | Low | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 136.1 | 176.8 | -70.4 | 175.4 | 0 | 0 | 0 | 110.8 | S790 D791 R836 W855 E881 I882 | L788-S790 PolarHBondContact O-N 2.91Å; L788-D791 PolarHBondContact O-N 3.21Å; L788-R836 HydrophobicContact CD1-CB 4.27Å; L788-W855 HydrophobicContact CD2-CH2 4.04Å; L788-W855 HydrophobicContact CD2-CZ2 3.9Å; L788-W855 HydrophobicContact CG-CH2 3.7Å; L788-W855 HydrophobicContact CG-CZ2 3.93Å; L788-W855 HydrophobicContact CG-CZ3 4.47Å; L788-E881 HydrophobicContact CD2-CB 4.4Å; L788-I882 HydrophobicContact CD2-CG2 4.03Å |
| 789 | K | 76.3 | Confident | 62 | Low | 21 Ų | 21 | 61.1 Ų | 61.1 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.4 | -28.6 | 179.5 | -64.4 | -177.8 | -163.6 | -174.2 | 0 | 112.6 | D791 Y880 E881 I882 E1543 | K789-D791 PolarHBondContact O-N 2.64Å; K789-Y880 WeakPolarHBondContact CD-O 3.49Å; K789-Y880 VanDerWaalsContact CE-O 3.24Å; K789-Y880 WeakPolarHBondContact CE-O 3.46Å; K789-Y880 PolarHBondContact NZ-O 2.87Å; K789-Y880 VanDerWaalsContact NZ-O 3.16Å; K789-E881 PolarHBondContact N-O 2.97Å; K789-I882 VanDerWaalsContact CE-C 3.46Å; K789-I882 WeakPolarHBondContact CE-O 3.06Å; K789-E1543 WeakPolarHBondContact CD-OE1 3.26Å; K789-E1543 WeakPolarHBondContact CE-OE1 3.34Å; K789-E1543 IonicContact NZ-OE1 3.52Å; K789-E1543 PolarHBondContact NZ-OE1 2.94Å; K789-E1543 IonicContact NZ-OE2 3.84Å; K789-E1543 PolarHBondContact NZ-OE2 2.66Å |
| 790 | S | 64.8 | Low | 59.5 | Low | 62 Ų | 62 | 62.9 Ų | 62.9 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.3 | -44 | 177.6 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | L788 K792 N793 | L788-S790 PolarHBondContact O-N 2.91Å; S790-K792 PolarHBondContact O-N 3.37Å; S790-N793 PolarHBondContact O-N 3.23Å |
| 791 | D | 55.5 | Low | 56.7 | Low | 66 Ų | 66 | 67.8 Ų | 67.8 | 35% | 0.353 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -80.9 | -22.3 | -162.9 | -63 | 24 | 0 | 0 | 0 | 111.5 | L788 K789 C794 | L788-D791 PolarHBondContact O-N 3.21Å; K789-D791 PolarHBondContact O-N 2.64Å; D791-C794 PolarHBondContact O-N 3.12Å |
| 792 | K | 48.2 | Very low | 54 | Low | 76 Ų | 76 | 74.7 Ų | 74.7 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.8 | -32.6 | 176.5 | -72 | 179.7 | 175.8 | 170.8 | 0 | 112.9 | S787 S790 C794 R795 S883 | S787-K792 WeakPolarHBondContact OG-CE 3.16Å; S787-K792 PolarHBondContact OG-NZ 2.92Å; S790-K792 PolarHBondContact O-N 3.37Å; K792-C794 PolarHBondContact O-N 2.85Å; K792-C794 VanDerWaalsContact O-N 3.07Å; K792-R795 PolarHBondContact O-N 3.36Å; K792-R795 VanDerWaalsContact O-N 3.1Å; K792-S883 PolarHBondContact NZ-OG 3.4Å |
| 793 | N | 35.8 | Very low | 51 | Low | 58 Ų | 58 | 80.2 Ų | 80.2 | 31% | 0.31 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -11.9 | 179.1 | -77.6 | 9.8 | 0 | 0 | 0 | 113.3 | S790 F1540 N1542 S1631 | S790-N793 PolarHBondContact O-N 3.23Å; N793-F1540 PolarHBondContact ND2-O 3Å; N793-N1542 PolarHBondContact OD1-ND2 3.16Å; N793-S1631 PolarHBondContact ND2-OG 3.06Å |
| 794 | C | 29.4 | Very low | 48.3 | Very low | 110 Ų | 110 | 86.8 Ų | 86.8 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.4 | 174.8 | -64.6 | 0 | 0 | 0 | 0 | 114.9 | D791 K792 | D791-C794 PolarHBondContact O-N 3.12Å; K792-C794 PolarHBondContact O-N 2.85Å; K792-C794 VanDerWaalsContact O-N 3.07Å |
| 795 | R | 29.8 | Very low | 45.7 | Very low | 199 Ų | 199 | 90.7 Ų | 90.7 | 75% | 0.751 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -11.9 | -173.6 | -68.7 | -168.9 | -179.3 | 173.2 | 6.1 | 115.8 | K792 D837 | K792-R795 PolarHBondContact O-N 3.36Å; K792-R795 VanDerWaalsContact O-N 3.1Å; R795-D837 IonicContact CZ-OD1 2.78Å; R795-D837 IonicContact NH2-OD1 2.89Å; R795-D837 PolarHBondContact NH2-OD1 3.18Å |
| 796 | S | 28.6 | Very low | 43 | Very low | 92 Ų | 92 | 98.8 Ų | 98.8 | 64% | 0.643 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -98 | -3.1 | -166.2 | 55.6 | 0 | 0 | 0 | 0 | 116.9 | ||
| 797 | Q | 25.8 | Very low | 40.3 | Very low | 159 Ų | 159 | 105.6 Ų | 105.6 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -139.6 | 135.4 | 163.8 | -69.6 | -165.5 | 7.1 | 0 | 0 | 111.3 | I799 | Q797-I799 PolarHBondContact O-N 2.81Å; Q797-I799 VanDerWaalsContact O-N 3.15Å |
| 798 | P | 23.9 | Very low | 37.9 | Very low | 124 Ų | 124 | 113 Ų | 113 | 81% | 0.805 | 63% | 0.625 | S | S | * | * | trans | -71.7 | 109.1 | 173.4 | 29.3 | -32.7 | 0 | 0 | 0 | 109.5 | P800 | P798-P800 VanDerWaalsContact O-CD 3.28Å; P798-P800 WeakPolarHBondContact O-CD 3.36Å | ||
| 799 | I | 28 | Very low | 35.5 | Very low | 155 Ų | 155 | 117.4 Ų | 117.4 | 80% | 0.795 | 66% | 0.657 | S | S | * | * | trans | -64.2 | 116.7 | 169.1 | -59.4 | 174.4 | 0 | 0 | 0 | 107.3 | Q797 | Q797-I799 PolarHBondContact O-N 2.81Å; Q797-I799 VanDerWaalsContact O-N 3.15Å | ||
| 800 | P | 25.2 | Very low | 33.3 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 66% | 0.662 | 69% | 0.689 | S | S | * | * | trans | -65.5 | 127.8 | 175.9 | 27 | -32.8 | 0 | 0 | 0 | 108.8 | P798 N802 | P798-P800 VanDerWaalsContact O-CD 3.28Å; P798-P800 WeakPolarHBondContact O-CD 3.36Å; P800-N802 PolarHBondContact O-N 2.81Å | ||
| 801 | P | 28.1 | Very low | 31.8 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 79% | 0.786 | 71% | 0.709 | S | S | * | * | trans | -68.2 | 103.3 | -177.1 | 26.8 | -33.8 | 0 | 0 | 0 | 109.7 | P803 | P801-P803 VanDerWaalsContact O-CD 3.23Å; P801-P803 WeakPolarHBondContact O-CD 3.48Å | ||
| 802 | N | 30.2 | Very low | 30.6 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | trans | -69.2 | 110.4 | -176.8 | -131.7 | -9.5 | 0 | 0 | 0 | 109.1 | P800 I804 | P800-N802 PolarHBondContact O-N 2.81Å; N802-I804 VanDerWaalsContact C-N 3.3Å; N802-I804 PolarHBondContact O-N 3.36Å | ||
| 803 | P | 27 | Very low | 29.8 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -92 | 54.9 | -161.5 | 37.3 | -35.8 | 0 | 0 | 0 | 112.1 | P801 | P801-P803 VanDerWaalsContact O-CD 3.23Å; P801-P803 WeakPolarHBondContact O-CD 3.48Å | ||
| 804 | I | 30.8 | Very low | 29.5 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | trans | -137.9 | 147.8 | -176.8 | -53.5 | 177.6 | 0 | 0 | 0 | 109.4 | N802 | N802-I804 VanDerWaalsContact C-N 3.3Å; N802-I804 PolarHBondContact O-N 3.36Å | ||
| 805 | V | 34.4 | Very low | 29.5 | Very low | 131 Ų | 131 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 71.7 | 60.6 | -173.7 | -158.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 806 | N | 28.9 | Very low | 29.6 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | trans | -113.5 | 66 | 160.9 | -133.9 | 4.3 | 0 | 0 | 0 | 108.9 | ||||
| 807 | D | 31.7 | Very low | 29.9 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -159.5 | 157.4 | 163.6 | -141.4 | -21.2 | 0 | 0 | 0 | 112.5 | ||||
| 808 | L | 33.3 | Very low | 30.3 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | 98.1 | 71.2 | -173.9 | -65.2 | 166.9 | 0 | 0 | 0 | 116.6 | ||||
| 809 | S | 29.1 | Very low | 30.9 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 157.7 | 150.8 | 62 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 810 | S | 30.5 | Very low | 31.1 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 70.8 | 97.9 | 176 | 73.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 811 | V | 33.7 | Very low | 31.2 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | -139.1 | 139.3 | 119.4 | 175.3 | 0 | 0 | 0 | 0 | 107.5 | V813 | V811-V813 HydrophobicContact CG1-CG2 4.45Š| |||
| 812 | V | 30.4 | Very low | 31.3 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -118.9 | 119.2 | 175 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 813 | V | 31.5 | Very low | 31.4 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -142.5 | 106.8 | 159.9 | -175.6 | 0 | 0 | 0 | 0 | 109 | V811 | V811-V813 HydrophobicContact CG1-CG2 4.45Š| ||
| 814 | T | 28.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | trans | -89.5 | 176.9 | 162.8 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 815 | E | 29 | Very low | 31.3 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | 73.1 | 70.9 | 170.9 | -54.4 | -173.9 | 179 | 0 | 0 | 117.6 | ||||
| 816 | T | 32.9 | Very low | 30.9 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | -168.8 | 109.9 | 131.5 | 7.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 817 | I | 34.5 | Very low | 31 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 72% | 0.723 | 80% | 0.798 | S | S | * | * | trans | -175.5 | 21.3 | 148.1 | -97.9 | 155.4 | 0 | 0 | 0 | 114.3 | K819 | I817-K819 PolarHBondContact O-N 2.89Š| ||
| 818 | E | 33.7 | Very low | 31.1 | Very low | 199 Ų | 199 | 140 Ų | 140 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 30.8 | 171.4 | -65.3 | -166.9 | 124.8 | 0 | 0 | 115.2 | ||
| 819 | K | 36.6 | Very low | 30.8 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | 12.2 | -169.8 | -77.7 | -171.9 | 175.2 | 174.3 | 0 | 116.5 | I817 | I817-K819 PolarHBondContact O-N 2.89Š|
| 820 | L | 32 | Very low | 30.8 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | trans | -117.5 | 7.9 | 178.8 | -74.1 | 170.8 | 0 | 0 | 0 | 115.6 | T822 | L820-T822 PolarHBondContact O-N 2.85Š| ||
| 821 | N | 28.5 | Very low | 30.7 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -78.3 | 79.7 | 170.6 | -74.4 | -14.4 | 0 | 0 | 0 | 111.5 | ||||
| 822 | T | 28.9 | Very low | 30.6 | Very low | 136 Ų | 136 | 134.1 Ų | 134.1 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | -165.2 | 31.2 | 164.1 | 2.8 | 0 | 0 | 0 | 0 | 116.5 | L820 | L820-T822 PolarHBondContact O-N 2.85Š| ||
| 823 | V | 32.3 | Very low | 30.8 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -129.8 | 125.7 | 167.9 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | S825 | V823-S825 PolarHBondContact O-N 2.93Š| ||
| 824 | T | 25.5 | Very low | 31.3 | Very low | 144 Ų | 144 | 134 Ų | 134 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | trans | -88.1 | 98.6 | -178.5 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 825 | S | 30.2 | Very low | 32.3 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | trans | -138.9 | 137.8 | 163.3 | -68.9 | 0 | 0 | 0 | 0 | 109 | V823 I827 | V823-S825 PolarHBondContact O-N 2.93Å; S825-I827 PolarHBondContact O-N 2.69Å | ||
| 826 | S | 26.9 | Very low | 33.9 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 86% | 0.86 | 69% | 0.691 | S | S | * | * | trans | -75.2 | 83.9 | 178.7 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | I828 | S826-I828 PolarHBondContact O-N 3.19Š| ||
| 827 | I | 31.1 | Very low | 35.3 | Very low | 142 Ų | 142 | 121.7 Ų | 121.7 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | trans | -73.5 | 120.2 | 170 | -63 | 173.3 | 0 | 0 | 0 | 107.9 | S825 E829 | S825-I827 PolarHBondContact O-N 2.69Å; I827-E829 HydrophobicContact CG2-CG 4.48Å; I827-E829 PolarHBondContact O-N 2.89Å | ||
| 828 | I | 33 | Very low | 37.5 | Very low | 130 Ų | 130 | 116.4 Ų | 116.4 | 67% | 0.667 | 64% | 0.637 | S | S | * | * | trans | -80.1 | 106.1 | 168.7 | -59.5 | 175.7 | 0 | 0 | 0 | 107 | S826 L830 | S826-I828 PolarHBondContact O-N 3.19Å; I828-L830 HydrophobicContact CG2-CG 4.33Å; I828-L830 PolarHBondContact O-N 3.26Å | ||
| 829 | E | 26.9 | Very low | 40 | Very low | 162 Ų | 162 | 107 Ų | 107 | 76% | 0.757 | 59% | 0.593 | S | S | * | * | trans | -70.5 | 92.9 | 174.8 | -69 | -174.8 | 136.7 | 0 | 0 | 110.1 | I827 S831 | I827-E829 HydrophobicContact CG2-CG 4.48Å; I827-E829 PolarHBondContact O-N 2.89Å; E829-S831 PolarHBondContact O-N 3.31Å | ||
| 830 | L | 30.6 | Very low | 42.6 | Very low | 79 Ų | 79 | 97.9 Ų | 97.9 | 41% | 0.414 | 55% | 0.553 | S | S | . | * | trans | -75.3 | 56.5 | 171.6 | -80.1 | 160.2 | 0 | 0 | 0 | 111.2 | I828 I1712 | I828-L830 HydrophobicContact CG2-CG 4.33Å; I828-L830 PolarHBondContact O-N 3.26Å; L830-I1712 HydrophobicContact CD1-CB 4.44Å; L830-I1712 HydrophobicContact CD1-CG2 4.03Å | ||
| 831 | S | 27 | Very low | 45.4 | Very low | 78 Ų | 78 | 91.3 Ų | 91.3 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | trans | -121.7 | 72.6 | 174.2 | 55.5 | 0 | 0 | 0 | 0 | 109.9 | E829 D833 | E829-S831 PolarHBondContact O-N 3.31Å; S831-D833 PolarHBondContact O-N 3.48Å | ||
| 832 | C | 31.2 | Very low | 48.5 | Very low | 74 Ų | 74 | 84.8 Ų | 84.8 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | trans | -90.8 | 85.8 | 174.4 | -71.2 | 0 | 0 | 0 | 0 | 110 | H834 | C832-H834 PolarHBondContact O-N 3.48Š| ||
| 833 | D | 35.3 | Very low | 51.5 | Low | 152 Ų | 152 | 79.8 Ų | 79.8 | 81% | 0.813 | 46% | 0.455 | S | S | * | . | trans | -70 | 20.7 | 176.6 | -67.8 | -31 | 0 | 0 | 0 | 113.9 | S831 | S831-D833 PolarHBondContact O-N 3.48Š| ||
| 834 | H | 42.5 | Very low | 54.4 | Low | 111 Ų | 111 | 74.1 Ų | 74.1 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -134.3 | 131.1 | -178.3 | -67.5 | -4.6 | 0 | 0 | 0 | 109.2 | C832 | C832-H834 PolarHBondContact O-N 3.48Š|
| 835 | P | 50.2 | Low | 57.5 | Low | 71 Ų | 71 | 70.1 Ų | 70.1 | 46% | 0.461 | 39% | 0.392 | S | S | . | . | trans | -65.6 | 138 | 177.8 | 30.1 | -35.9 | 0 | 0 | 0 | 110.5 | D837 | P835-D837 VanDerWaalsContact C-N 3.34Å; P835-D837 WeakPolarHBondContact CB-OD2 3.49Å; P835-D837 WeakPolarHBondContact CG-OD2 3.39Å; P835-D837 PolarHBondContact O-N 2.95Å | ||
| 836 | R | 62.1 | Low | 60.1 | Low | 47 Ų | 47 | 69.1 Ų | 69.1 | 18% | 0.177 | 38% | 0.382 | C | S | . | . | trans | -98.3 | 55.9 | 179.2 | -69 | 177.4 | 167.2 | -133.1 | 1.3 | 109.9 | L788 L838 W855 E875 | L788-R836 HydrophobicContact CD1-CB 4.27Å; R836-L838 VanDerWaalsContact C-N 3.27Å; R836-L838 PolarHBondContact O-N 2.83Å; R836-W855 HydrophobicContact CB-CE3 4.36Å; R836-E875 IonicContact CZ-OE2 3.81Å; R836-E875 VanDerWaalsContact CZ-OE2 3.22Å; R836-E875 IonicContact NH1-OE1 3.91Å; R836-E875 PolarHBondContact NH1-OE1 2.83Å; R836-E875 IonicContact NH1-OE2 3.18Å; R836-E875 PolarHBondContact NH1-OE2 3.43Å; R836-E875 IonicContact NH2-OE1 2.73Å; R836-E875 IonicContact NH2-OE2 3.38Å; R836-E875 PolarHBondContact NH2-OE2 3.38Å | ||
| 837 | D | 63 | Low | 63 | Low | 52 Ų | 52 | 70.8 Ų | 70.8 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | trans | -56.3 | -35.2 | -169.2 | -74.5 | -77.5 | 0 | 0 | 0 | 114.4 | R795 P835 | R795-D837 IonicContact CZ-OD1 2.78Å; R795-D837 IonicContact NH2-OD1 2.89Å; R795-D837 PolarHBondContact NH2-OD1 3.18Å; P835-D837 VanDerWaalsContact C-N 3.34Å; P835-D837 WeakPolarHBondContact CB-OD2 3.49Å; P835-D837 WeakPolarHBondContact CG-OD2 3.39Å; P835-D837 PolarHBondContact O-N 2.95Å | ||
| 838 | L | 79.3 | Confident | 65.8 | Low | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 141.5 | -175 | -165.6 | 60.1 | 0 | 0 | 0 | 112.9 | L785 R836 F856 M868 | L785-L838 HydrophobicContact CB-CD1 4.16Å; L785-L838 HydrophobicContact CD1-CD1 4.33Å; L785-L838 HydrophobicContact CD1-CD2 4.47Å; L785-L838 HydrophobicContact CD2-CD1 4.16Å; L785-L838 HydrophobicContact CD2-CD2 4.12Å; L785-L838 HydrophobicContact CD2-CG 4.23Å; L785-L838 HydrophobicContact CG-CD1 4.46Å; R836-L838 VanDerWaalsContact C-N 3.27Å; R836-L838 PolarHBondContact O-N 2.83Å; L838-F856 PolarHBondContact O-N 2.85Å; L838-F856 VanDerWaalsContact O-O 3.13Å; L838-M868 HydrophobicContact CD2-CE 3.81Å; L838-M868 HydrophobicContact CD2-SD 4.25Å; L838-M868 HydrophobicContact CG-CE 4.39Å |
| 839 | G | 87.2 | Confident | 68.5 | Low | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 163.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V786 Q854 | V786-G839 PolarHBondContact N-O 2.83Å; V786-G839 PolarHBondContact O-N 2.77Å; G839-Q854 CarbonylContact C-O 3.54Å; G839-Q854 VanDerWaalsContact CA-O 3.26Å; G839-Q854 WeakPolarHBondContact CA-O 3.39Å |
| 840 | V | 89.8 | Confident | 71.7 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.9 | 174.7 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | F784 L785 V853 Q854 F856 M868 P919 | F784-V840 WeakPolarHBondContact O-CA 3.31Å; L785-V840 HydrophobicContact CD2-CG2 3.98Å; V840-V853 WeakPolarHBondContact O-CA 3.22Å; V840-Q854 PolarHBondContact N-O 3.02Å; V840-Q854 PolarHBondContact O-N 3.19Å; V840-F856 HydrophobicContact CB-CE2 3.89Å; V840-F856 HydrophobicContact CG2-CD2 3.84Å; V840-F856 HydrophobicContact CG2-CE2 3.42Å; V840-F856 VanDerWaalsContact CG2-CE2 3.42Å; V840-F856 HydrophobicContact CG2-CZ 4.34Å; V840-M868 HydrophobicContact CG2-CE 4.03Å; V840-P919 HydrophobicContact CG1-CB 3.88Å |
| 841 | A | 91.9 | Very high | 74.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 128 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L780 P782 G783 F784 | L780-A841 HydrophobicContact CB-CB 4.43Å; P782-A841 WeakPolarHBondContact CA-O 3.36Å; G783-A841 PolarHBondContact N-O 3.35Å; F784-A841 HydrophobicContact CB-CB 4.37Å; F784-A841 PolarHBondContact O-N 3.48Å |
| 842 | L | 92.7 | Very high | 77.9 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -40.4 | 174.8 | -51.1 | -172.5 | 0 | 0 | 0 | 111.7 | P782 L852 Q854 P874 P919 | P782-L842 WeakPolarHBondContact CB-O 3.4Å; P782-L842 WeakPolarHBondContact CG-O 3.47Å; L842-L852 HydrophobicContact CB-CB 4.43Å; L842-L852 HydrophobicContact CB-CD2 4.34Å; L842-L852 HydrophobicContact CB-CG 4.44Å; L842-L852 WeakPolarHBondContact CB-O 3.43Å; L842-L852 HydrophobicContact CD1-CD2 4.1Å; L842-L852 HydrophobicContact CD1-CG 4.2Å; L842-L852 PolarHBondContact N-O 3.22Å; L842-Q854 HydrophobicContact CD1-CB 4.27Å; L842-Q854 HydrophobicContact CD2-CB 3.95Å; L842-Q854 HydrophobicContact CG-CB 4.31Å; L842-P874 HydrophobicContact CD1-CB 3.66Å; L842-P874 HydrophobicContact CD1-CG 3.46Å; L842-P874 VanDerWaalsContact CD1-CG 3.46Å; L842-P919 HydrophobicContact CD2-CB 3.53Å |
| 843 | S | 93.3 | Very high | 80.8 | Confident | 31 Ų | 31 | 45.7 Ų | 45.7 | 22% | 0.217 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 143.8 | -178.3 | 61.1 | 0 | 0 | 0 | 0 | 110.5 | D757 L852 | D757-S843 VanDerWaalsContact C-CB 3.45Å; D757-S843 WeakPolarHBondContact O-CB 3.33Å; S843-L852 PolarHBondContact O-N 3.01Å; S843-L852 VanDerWaalsContact OG-CB 3.31Å; S843-L852 WeakPolarHBondContact OG-CB 3.13Å |
| 844 | Y | 92 | Very high | 83.5 | Confident | 14 Ų | 14 | 39 Ų | 39 | 6% | 0.055 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.2 | 179.3 | 178 | -76.6 | 0 | 0 | 0 | 110.9 | I756 H778 Y779 L780 T846 Q849 C851 V879 | I756-Y844 HydrophobicContact CD1-CD1 3.67Å; I756-Y844 HydrophobicContact CD1-CE1 4.43Å; I756-Y844 HydrophobicContact CD1-CG 4.2Å; I756-Y844 HydrophobicContact CG1-CD1 4.06Å; I756-Y844 HydrophobicContact CG1-CG 4.27Å; I756-Y844 PolarHBondContact O-N 3.42Å; H778-Y844 PolarHBondContact O-OH 2.67Å; Y779-Y844 HydrophobicContact CD1-CE1 4.46Å; L780-Y844 HydrophobicContact CB-CD2 3.71Å; L780-Y844 HydrophobicContact CB-CE2 4.26Å; L780-Y844 HydrophobicContact CB-CG 4.45Å; L780-Y844 HydrophobicContact CD1-CD2 4.04Å; L780-Y844 HydrophobicContact CD1-CE2 4.12Å; L780-Y844 HydrophobicContact CG-CD2 4.04Å; L780-Y844 HydrophobicContact CG-CE2 4.11Å; L780-Y844 VanDerWaalsContact O-CB 3.25Å; L780-Y844 WeakPolarHBondContact O-CB 3.34Å; Y844-T846 HydrophobicContact CD1-CG2 3.92Å; Y844-T846 HydrophobicContact CE1-CG2 3.83Å; Y844-Q849 PolarHBondContact OH-OE1 3.29Å; Y844-C851 HydrophobicContact CD2-CB 4.19Å; Y844-V879 HydrophobicContact CD2-CG2 3.86Å; Y844-V879 HydrophobicContact CE2-CB 4.19Å; Y844-V879 HydrophobicContact CE2-CG1 3.86Å; Y844-V879 HydrophobicContact CE2-CG2 3.23Å |
| 845 | N | 91.1 | Very high | 85.7 | Confident | 61 Ų | 61 | 34 Ų | 34 | 33% | 0.326 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 102.6 | 179.8 | 179.5 | -19.4 | 0 | 0 | 0 | 109.4 | K847 D848 Q849 T850 | N845-K847 VanDerWaalsContact C-N 3.28Å; N845-K847 PolarHBondContact O-N 3.23Å; N845-K847 PolarHBondContact OD1-N 2.87Å; N845-D848 HydrophobicContact CB-CB 4.41Å; N845-D848 WeakPolarHBondContact ND2-CB 3.4Å; N845-D848 PolarHBondContact ND2-OD2 3.16Å; N845-D848 PolarHBondContact O-N 2.64Å; N845-D848 PolarHBondContact OD1-N 3.12Å; N845-Q849 WeakPolarHBondContact O-CA 3.2Å; N845-Q849 PolarHBondContact O-N 3.07Å; N845-T850 PolarHBondContact N-O 2.96Å; N845-T850 PolarHBondContact O-N 3.15Å |
| 846 | T | 85.8 | Confident | 87.4 | Confident | 70 Ų | 70 | 30.7 Ų | 30.7 | 43% | 0.429 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.2 | -176.5 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | I756 Y779 Y844 Q849 | I756-T846 HydrophobicContact CD1-CG2 4.23Å; Y779-T846 HydrophobicContact CD1-CG2 4.2Å; Y779-T846 HydrophobicContact CE1-CG2 3.84Å; Y844-T846 HydrophobicContact CD1-CG2 3.92Å; Y844-T846 HydrophobicContact CE1-CG2 3.83Å; T846-Q849 PolarHBondContact O-NE2 3.07Å |
| 847 | K | 86.3 | Confident | 88.2 | Confident | 157 Ų | 157 | 32.2 Ų | 32.2 | 68% | 0.683 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -44.6 | -178 | -177.2 | -172.6 | 173.4 | -168.6 | 0 | 111.7 | N845 Q849 | N845-K847 VanDerWaalsContact C-N 3.28Å; N845-K847 PolarHBondContact O-N 3.23Å; N845-K847 PolarHBondContact OD1-N 2.87Å; K847-Q849 VanDerWaalsContact C-N 3.31Å |
| 848 | D | 90 | Very high | 88.4 | Confident | 57 Ų | 57 | 31.3 Ų | 31.3 | 31% | 0.305 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -5.9 | -178.8 | -68.8 | -40.9 | 0 | 0 | 0 | 112.6 | N845 T850 K1701 G1702 | N845-D848 HydrophobicContact CB-CB 4.41Å; N845-D848 WeakPolarHBondContact ND2-CB 3.4Å; N845-D848 PolarHBondContact ND2-OD2 3.16Å; N845-D848 PolarHBondContact O-N 2.64Å; N845-D848 PolarHBondContact OD1-N 3.12Å; D848-T850 PolarHBondContact O-N 3.19Å; D848-K1701 HydrophobicContact CB-CB 3.92Å; D848-K1701 PolarHBondContact O-N 3.46Å; D848-K1701 VanDerWaalsContact O-N 3.14Å; D848-G1702 PolarHBondContact O-N 2.71Å |
| 849 | Q | 91.3 | Very high | 87.4 | Confident | 19 Ų | 19 | 31.1 Ų | 31.1 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 40.8 | -175.4 | -56.8 | -69.4 | 6.4 | 0 | 0 | 112.9 | Y844 N845 T846 K847 V879 Y880 G1702 | Y844-Q849 PolarHBondContact OH-OE1 3.29Å; N845-Q849 WeakPolarHBondContact O-CA 3.2Å; N845-Q849 PolarHBondContact O-N 3.07Å; T846-Q849 PolarHBondContact O-NE2 3.07Å; K847-Q849 VanDerWaalsContact C-N 3.31Å; Q849-V879 VanDerWaalsContact O-CG2 3.24Å; Q849-V879 WeakPolarHBondContact O-CG2 3.34Å; Q849-V879 PolarHBondContact O-N 2.79Å; Q849-Y880 HydrophobicContact CB-CE2 4.21Å; Q849-G1702 VanDerWaalsContact O-CA 3.31Å; Q849-G1702 WeakPolarHBondContact O-CA 3.47Å |
| 850 | T | 93 | Very high | 85.7 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 144.6 | 178.1 | 48.2 | 0 | 0 | 0 | 0 | 111.4 | N845 D848 E876 I877 K1701 L1705 | N845-T850 PolarHBondContact N-O 2.96Å; N845-T850 PolarHBondContact O-N 3.15Å; D848-T850 PolarHBondContact O-N 3.19Å; T850-E876 HydrophobicContact CG2-CG 4.16Å; T850-E876 PolarHBondContact OG1-OE1 2.81Å; T850-I877 CarbonylContact C-O 3.6Å; T850-I877 WeakPolarHBondContact CA-O 3.3Å; T850-K1701 HydrophobicContact CG2-CB 4.14Å; T850-K1701 HydrophobicContact CG2-CD 4.26Å; T850-K1701 HydrophobicContact CG2-CG 4.19Å; T850-L1705 HydrophobicContact CG2-CD1 3.89Å |
| 851 | C | 93 | Very high | 83.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.4 | 172.2 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | L780 Y844 V853 I877 V879 I882 | L780-C851 HydrophobicContact CD1-CB 4.4Å; Y844-C851 HydrophobicContact CD2-CB 4.19Å; C851-V853 HydrophobicContact CB-CG2 4.23Å; C851-I877 PolarHBondContact N-O 2.96Å; C851-I877 PolarHBondContact O-N 3.3Å; C851-V879 HydrophobicContact CB-CG2 4.25Å; C851-I882 HydrophobicContact CB-CD1 3.65Å |
| 852 | L | 94.1 | Very high | 81.4 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 117.8 | 170 | -170.7 | 68.3 | 0 | 0 | 0 | 108 | L842 S843 P874 E876 | L842-L852 HydrophobicContact CB-CB 4.43Å; L842-L852 HydrophobicContact CB-CD2 4.34Å; L842-L852 HydrophobicContact CB-CG 4.44Å; L842-L852 WeakPolarHBondContact CB-O 3.43Å; L842-L852 HydrophobicContact CD1-CD2 4.1Å; L842-L852 HydrophobicContact CD1-CG 4.2Å; L842-L852 PolarHBondContact N-O 3.22Å; S843-L852 PolarHBondContact O-N 3.01Å; S843-L852 VanDerWaalsContact OG-CB 3.31Å; S843-L852 WeakPolarHBondContact OG-CB 3.13Å; L852-P874 HydrophobicContact CD1-CB 3.85Å; L852-P874 HydrophobicContact CD2-CB 4.32Å; L852-P874 HydrophobicContact CG-CB 3.85Å; L852-E876 HydrophobicContact CD1-CB 4.23Å |
| 853 | V | 92.4 | Very high | 79.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.4 | -171.7 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | V786 V840 C851 W855 P874 E875 I877 I882 | V786-V853 HydrophobicContact CG2-CB 4.47Å; V786-V853 HydrophobicContact CG2-CG1 3.57Å; V786-V853 HydrophobicContact CG2-CG2 3.99Å; V840-V853 WeakPolarHBondContact O-CA 3.22Å; C851-V853 HydrophobicContact CB-CG2 4.23Å; V853-W855 HydrophobicContact CB-CZ2 4.47Å; V853-W855 HydrophobicContact CG1-CD2 4.03Å; V853-W855 HydrophobicContact CG1-CE3 4.41Å; V853-W855 HydrophobicContact CG1-CG 4.49Å; V853-W855 HydrophobicContact CG1-CH2 4.24Å; V853-W855 HydrophobicContact CG1-CZ2 3.88Å; V853-P874 CarbonylContact O-C 3.6Å; V853-P874 WeakPolarHBondContact O-CA 3.39Å; V853-E875 PolarHBondContact N-O 3.28Å; V853-E875 PolarHBondContact O-N 3.38Å; V853-I877 HydrophobicContact CB-CD1 4.49Å; V853-I882 HydrophobicContact CG2-CD1 4.31Å |
| 854 | Q | 92.2 | Very high | 76.8 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 116.7 | 162.4 | -178.2 | 59.2 | 66.3 | 0 | 0 | 108.4 | G839 V840 L842 F856 P870 I871 G872 | G839-Q854 CarbonylContact C-O 3.54Å; G839-Q854 VanDerWaalsContact CA-O 3.26Å; G839-Q854 WeakPolarHBondContact CA-O 3.39Å; V840-Q854 PolarHBondContact N-O 3.02Å; V840-Q854 PolarHBondContact O-N 3.19Å; L842-Q854 HydrophobicContact CD1-CB 4.27Å; L842-Q854 HydrophobicContact CD2-CB 3.95Å; L842-Q854 HydrophobicContact CG-CB 4.31Å; Q854-F856 HydrophobicContact CB-CE2 3.81Å; Q854-F856 HydrophobicContact CB-CZ 4.16Å; Q854-F856 HydrophobicContact CG-CD2 4.27Å; Q854-F856 HydrophobicContact CG-CE1 4.2Å; Q854-F856 HydrophobicContact CG-CE2 3.5Å; Q854-F856 HydrophobicContact CG-CZ 3.47Å; Q854-F856 VanDerWaalsContact CG-CZ 3.47Å; Q854-F856 VanDerWaalsContact O-CD2 3.25Å; Q854-F856 WeakPolarHBondContact O-CD2 3.27Å; Q854-F856 VanDerWaalsContact O-CE2 3.28Å; Q854-F856 WeakPolarHBondContact O-CE2 3.42Å; Q854-P870 HydrophobicContact CG-CB 4.11Å; Q854-I871 PolarHBondContact NE2-O 2.91Å; Q854-G872 PolarHBondContact NE2-O 3.4Å; Q854-G872 VanDerWaalsContact NE2-O 3.1Å |
| 855 | W | 90 | Very high | 74.9 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 2% | 0.023 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 148.9 | 173.2 | -69 | 106.9 | 0 | 0 | 0 | 110.9 | L788 R836 V853 P870 I871 I877 I882 | L788-W855 HydrophobicContact CD2-CH2 4.04Å; L788-W855 HydrophobicContact CD2-CZ2 3.9Å; L788-W855 HydrophobicContact CG-CH2 3.7Å; L788-W855 HydrophobicContact CG-CZ2 3.93Å; L788-W855 HydrophobicContact CG-CZ3 4.47Å; R836-W855 HydrophobicContact CB-CE3 4.36Å; V853-W855 HydrophobicContact CB-CZ2 4.47Å; V853-W855 HydrophobicContact CG1-CD2 4.03Å; V853-W855 HydrophobicContact CG1-CE3 4.41Å; V853-W855 HydrophobicContact CG1-CG 4.49Å; V853-W855 HydrophobicContact CG1-CH2 4.24Å; V853-W855 HydrophobicContact CG1-CZ2 3.88Å; W855-P870 CarbonylContact O-C 3.57Å; W855-P870 WeakPolarHBondContact O-CA 3.27Å; W855-I871 HydrophobicContact CB-CB 4.15Å; W855-I871 HydrophobicContact CB-CD1 4.49Å; W855-I871 PolarHBondContact O-N 3.45Å; W855-I877 HydrophobicContact CZ2-CD1 3.48Å; W855-I877 VanDerWaalsContact CZ2-CD1 3.48Å; W855-I877 VanDerWaalsContact NE1-CD1 3.32Å; W855-I882 HydrophobicContact CH2-CG2 4.28Å; W855-I882 HydrophobicContact CZ2-CG2 4.34Å |
| 856 | F | 85 | Confident | 73.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 147.1 | 179.3 | -66.4 | -91.1 | 0 | 0 | 0 | 111.2 | L838 V840 Q854 M868 I869 P870 | L838-F856 PolarHBondContact O-N 2.85Å; L838-F856 VanDerWaalsContact O-O 3.13Å; V840-F856 HydrophobicContact CB-CE2 3.89Å; V840-F856 HydrophobicContact CG2-CD2 3.84Å; V840-F856 HydrophobicContact CG2-CE2 3.42Å; V840-F856 VanDerWaalsContact CG2-CE2 3.42Å; V840-F856 HydrophobicContact CG2-CZ 4.34Å; Q854-F856 HydrophobicContact CB-CE2 3.81Å; Q854-F856 HydrophobicContact CB-CZ 4.16Å; Q854-F856 HydrophobicContact CG-CD2 4.27Å; Q854-F856 HydrophobicContact CG-CE1 4.2Å; Q854-F856 HydrophobicContact CG-CE2 3.5Å; Q854-F856 HydrophobicContact CG-CZ 3.47Å; Q854-F856 VanDerWaalsContact CG-CZ 3.47Å; Q854-F856 VanDerWaalsContact O-CD2 3.25Å; Q854-F856 WeakPolarHBondContact O-CD2 3.27Å; Q854-F856 VanDerWaalsContact O-CE2 3.28Å; Q854-F856 WeakPolarHBondContact O-CE2 3.42Å; F856-M868 HydrophobicContact CB-CB 4.2Å; F856-M868 HydrophobicContact CB-CE 3.9Å; F856-M868 HydrophobicContact CD1-CB 3.73Å; F856-M868 HydrophobicContact CD1-CE 4.16Å; F856-M868 HydrophobicContact CD2-CE 3.7Å; F856-M868 HydrophobicContact CE1-CB 4.41Å; F856-M868 HydrophobicContact CE2-CE 4.26Å; F856-M868 HydrophobicContact CG-CB 4.14Å; F856-M868 HydrophobicContact CG-CE 3.65Å; F856-I869 CarbonylContact C-O 3.55Å; F856-I869 VanDerWaalsContact CA-O 3.31Å; F856-I869 WeakPolarHBondContact CA-O 3.15Å; F856-P870 HydrophobicContact CD1-CB 4.07Å; F856-P870 HydrophobicContact CE1-CB 3.84Å; F856-P870 HydrophobicContact CE1-CG 4.39Å |
| 857 | K | 78.2 | Confident | 72.5 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 35% | 0.348 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.5 | 170.3 | -169.1 | 169.9 | -174.5 | 171.7 | 0 | 109.3 | I869 I871 | K857-I869 PolarHBondContact N-O 2.95Å; K857-I869 PolarHBondContact O-N 3.4Å; K857-I871 HydrophobicContact CB-CD1 3.9Å; K857-I871 HydrophobicContact CB-CG1 3.95Å |
| 858 | T | 67.2 | Low | 72 | Confident | 32 Ų | 32 | 51.7 Ų | 51.7 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | trans | -76.4 | 122.1 | 165 | 42.3 | 0 | 0 | 0 | 0 | 108.8 | N860 | T858-N860 PolarHBondContact O-N 3.2Š| ||
| 859 | G | 58.9 | Low | 71.5 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | trans | -87.7 | 101.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S861 L866 | G859-S861 PolarHBondContact O-N 2.86Å; G859-L866 WeakPolarHBondContact O-CD2 3.26Å | ||
| 860 | N | 51 | Low | 71.1 | Confident | 162 Ų | 162 | 56 Ų | 56 | 87% | 0.866 | 31% | 0.314 | S | S | * | . | trans | -54.4 | 102.6 | 177.1 | -72.9 | 3 | 0 | 0 | 0 | 112 | T858 | T858-N860 PolarHBondContact O-N 3.2Š| ||
| 861 | S | 43.8 | Very low | 70.7 | Confident | 56 Ų | 56 | 58.6 Ų | 58.6 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | trans | -137.8 | 117.8 | 173.2 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | G859 N863 S864 | G859-S861 PolarHBondContact O-N 2.86Å; S861-N863 PolarHBondContact O-N 2.92Å; S861-N863 VanDerWaalsContact O-N 3.14Å; S861-S864 WeakPolarHBondContact CB-OG 3.42Å; S861-S864 PolarHBondContact OG-OG 3.16Å | ||
| 862 | E | 48.4 | Very low | 70.2 | Confident | 192 Ų | 192 | 61.6 Ų | 61.6 | 90% | 0.897 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -10.2 | -172 | -62.5 | 177.2 | 152.1 | 0 | 0 | 113.6 | ||
| 863 | N | 43.4 | Very low | 69.9 | Low | 152 Ų | 152 | 63.5 Ų | 63.5 | 81% | 0.813 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -140.7 | 21 | -166.8 | -72.8 | -80.3 | 0 | 0 | 0 | 115.1 | S861 | S861-N863 PolarHBondContact O-N 2.92Å; S861-N863 VanDerWaalsContact O-N 3.14Å |
| 864 | S | 45.7 | Very low | 69.8 | Low | 69 Ų | 69 | 66 Ų | 66 | 48% | 0.483 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -152.4 | 166.6 | 178.5 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | S861 | S861-S864 WeakPolarHBondContact CB-OG 3.42Å; S861-S864 PolarHBondContact OG-OG 3.16Å |
| 865 | S | 51.3 | Low | 69.7 | Low | 40 Ų | 40 | 67.7 Ų | 67.7 | 28% | 0.28 | 40% | 0.4 | S | S | . | . | trans | -52.5 | 146 | 169.5 | 35.3 | 0 | 0 | 0 | 0 | 111.7 | P867 D940 | S865-P867 WeakPolarHBondContact O-CD 3.31Å; S865-D940 WeakPolarHBondContact CB-OD1 3.22Å | ||
| 866 | L | 61.1 | Low | 69.8 | Low | 59 Ų | 59 | 71.2 Ų | 71.2 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | trans | -104.1 | 84.4 | -169 | -61.3 | 171.9 | 0 | 0 | 0 | 110.1 | G859 M868 T939 | G859-L866 WeakPolarHBondContact O-CD2 3.26Å; L866-M868 PolarHBondContact O-N 2.95Å; L866-M868 VanDerWaalsContact O-N 3.12Å; L866-T939 HydrophobicContact CB-CG2 3.94Å; L866-T939 WeakPolarHBondContact O-CG2 3.31Å; L866-T939 PolarHBondContact O-OG1 3.23Å | ||
| 867 | P | 66.7 | Low | 70.1 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 34% | 0.338 | 42% | 0.417 | S | S | . | . | trans | -58.5 | 123.1 | -177.8 | 25.6 | -35.4 | 0 | 0 | 0 | 110.5 | S865 I869 | S865-P867 WeakPolarHBondContact O-CD 3.31Å; P867-I869 HydrophobicContact CB-CG1 4.43Å; P867-I869 PolarHBondContact O-N 3.2Å; P867-I869 VanDerWaalsContact O-N 3.1Å | ||
| 868 | M | 74.8 | Confident | 70.7 | Confident | 7 Ų | 7 | 67.4 Ų | 67.4 | 3% | 0.034 | 40% | 0.401 | C | S | . | . | trans | -72.3 | 100.3 | 171 | -72.2 | -179.2 | 61.3 | 0 | 0 | 108.5 | L838 V840 F856 L866 R938 T939 | L838-M868 HydrophobicContact CD2-CE 3.81Å; L838-M868 HydrophobicContact CD2-SD 4.25Å; L838-M868 HydrophobicContact CG-CE 4.39Å; V840-M868 HydrophobicContact CG2-CE 4.03Å; F856-M868 HydrophobicContact CB-CB 4.2Å; F856-M868 HydrophobicContact CB-CE 3.9Å; F856-M868 HydrophobicContact CD1-CB 3.73Å; F856-M868 HydrophobicContact CD1-CE 4.16Å; F856-M868 HydrophobicContact CD2-CE 3.7Å; F856-M868 HydrophobicContact CE1-CB 4.41Å; F856-M868 HydrophobicContact CE2-CE 4.26Å; F856-M868 HydrophobicContact CG-CB 4.14Å; F856-M868 HydrophobicContact CG-CE 3.65Å; L866-M868 PolarHBondContact O-N 2.95Å; L866-M868 VanDerWaalsContact O-N 3.12Å; M868-R938 HydrophobicContact SD-CB 4.2Å; M868-T939 HydrophobicContact CG-CG2 4.07Å; M868-T939 HydrophobicContact SD-CG2 4.41Å | ||
| 869 | I | 79.2 | Confident | 71.8 | Confident | 102 Ų | 102 | 67 Ų | 67 | 52% | 0.523 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.3 | -179.5 | -60.5 | 174 | 0 | 0 | 0 | 108.8 | F856 K857 P867 I871 | F856-I869 CarbonylContact C-O 3.55Å; F856-I869 VanDerWaalsContact CA-O 3.31Å; F856-I869 WeakPolarHBondContact CA-O 3.15Å; K857-I869 PolarHBondContact N-O 2.95Å; K857-I869 PolarHBondContact O-N 3.4Å; P867-I869 HydrophobicContact CB-CG1 4.43Å; P867-I869 PolarHBondContact O-N 3.2Å; P867-I869 VanDerWaalsContact O-N 3.1Å; I869-I871 PolarHBondContact O-N 3.41Å |
| 870 | P | 83.7 | Confident | 73.2 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 131.6 | -178.8 | 24 | -32.4 | 0 | 0 | 0 | 111.9 | Q854 W855 F856 | Q854-P870 HydrophobicContact CG-CB 4.11Å; W855-P870 CarbonylContact O-C 3.57Å; W855-P870 WeakPolarHBondContact O-CA 3.27Å; F856-P870 HydrophobicContact CD1-CB 4.07Å; F856-P870 HydrophobicContact CE1-CB 3.84Å; F856-P870 HydrophobicContact CE1-CG 4.39Å |
| 871 | I | 84.2 | Confident | 74.9 | Confident | 58 Ų | 58 | 59 Ų | 59 | 30% | 0.297 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 102.5 | 178.1 | -53.5 | 174 | 0 | 0 | 0 | 108.5 | Q854 W855 K857 I869 | Q854-I871 PolarHBondContact NE2-O 2.91Å; W855-I871 HydrophobicContact CB-CB 4.15Å; W855-I871 HydrophobicContact CB-CD1 4.49Å; W855-I871 PolarHBondContact O-N 3.45Å; K857-I871 HydrophobicContact CB-CD1 3.9Å; K857-I871 HydrophobicContact CB-CG1 3.95Å; I869-I871 PolarHBondContact O-N 3.41Å |
| 872 | G | 83.9 | Confident | 76.9 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 65.7 | -166.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q854 | Q854-G872 PolarHBondContact NE2-O 3.4Å; Q854-G872 VanDerWaalsContact NE2-O 3.1Å |
| 873 | S | 87 | Confident | 78.3 | Confident | 99 Ų | 99 | 48.3 Ų | 48.3 | 69% | 0.692 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 158.8 | 169.5 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | E875 | S873-E875 PolarHBondContact O-N 3.01Å |
| 874 | P | 90.2 | Very high | 79.7 | Confident | 51 Ų | 51 | 43.2 Ų | 43.2 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 138.4 | 174.8 | -26 | 34.6 | 0 | 0 | 0 | 113.2 | L842 L852 V853 | L842-P874 HydrophobicContact CD1-CB 3.66Å; L842-P874 HydrophobicContact CD1-CG 3.46Å; L842-P874 VanDerWaalsContact CD1-CG 3.46Å; L852-P874 HydrophobicContact CD1-CB 3.85Å; L852-P874 HydrophobicContact CD2-CB 4.32Å; L852-P874 HydrophobicContact CG-CB 3.85Å; V853-P874 CarbonylContact O-C 3.6Å; V853-P874 WeakPolarHBondContact O-CA 3.39Å |
| 875 | E | 90.7 | Very high | 80.6 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.2 | 179.5 | -166.9 | 179.6 | 130.5 | 0 | 0 | 108.8 | R836 V853 S873 I877 R1709 | R836-E875 IonicContact CZ-OE2 3.81Å; R836-E875 VanDerWaalsContact CZ-OE2 3.22Å; R836-E875 IonicContact NH1-OE1 3.91Å; R836-E875 PolarHBondContact NH1-OE1 2.83Å; R836-E875 IonicContact NH1-OE2 3.18Å; R836-E875 PolarHBondContact NH1-OE2 3.43Å; R836-E875 IonicContact NH2-OE1 2.73Å; R836-E875 IonicContact NH2-OE2 3.38Å; R836-E875 PolarHBondContact NH2-OE2 3.38Å; V853-E875 PolarHBondContact N-O 3.28Å; V853-E875 PolarHBondContact O-N 3.38Å; S873-E875 PolarHBondContact O-N 3.01Å; E875-I877 HydrophobicContact CB-CD1 4.02Å; E875-I877 HydrophobicContact CB-CG1 4.08Å; E875-I877 HydrophobicContact CG-CD1 3.87Å; E875-I877 HydrophobicContact CG-CG1 3.68Å; E875-I877 VanDerWaalsContact OE1-CD1 3.29Å; E875-I877 WeakPolarHBondContact OE1-CD1 3.4Å; E875-I877 WeakPolarHBondContact OE1-CG1 3.33Å; E875-R1709 IonicContact OE1-CZ 3.76Å; E875-R1709 IonicContact OE1-NH1 3.29Å; E875-R1709 PolarHBondContact OE1-NH1 3.1Å; E875-R1709 IonicContact OE1-NH2 2.74Å |
| 876 | E | 92.5 | Very high | 80.9 | Confident | 79 Ų | 79 | 42.5 Ų | 42.5 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 119.2 | 170.5 | -173.9 | -174.3 | -173.5 | 0 | 0 | 109.1 | T850 L852 K1701 | T850-E876 HydrophobicContact CG2-CG 4.16Å; T850-E876 PolarHBondContact OG1-OE1 2.81Å; L852-E876 HydrophobicContact CD1-CB 4.23Å; E876-K1701 VanDerWaalsContact OE1-CE 3.3Å; E876-K1701 WeakPolarHBondContact OE1-CE 3.18Å; E876-K1701 IonicContact OE1-NZ 3.3Å; E876-K1701 PolarHBondContact OE1-NZ 2.8Å; E876-K1701 WeakPolarHBondContact OE2-CE 3.47Å; E876-K1701 IonicContact OE2-NZ 2.86Å; E876-K1701 PolarHBondContact OE2-NZ 2.85Å |
| 877 | I | 91.1 | Very high | 80.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.5 | -168.7 | -65.6 | 178.1 | 0 | 0 | 0 | 110.1 | T850 C851 V853 W855 E875 E881 I882 | T850-I877 CarbonylContact C-O 3.6Å; T850-I877 WeakPolarHBondContact CA-O 3.3Å; C851-I877 PolarHBondContact N-O 2.96Å; C851-I877 PolarHBondContact O-N 3.3Å; V853-I877 HydrophobicContact CB-CD1 4.49Å; W855-I877 HydrophobicContact CZ2-CD1 3.48Å; W855-I877 VanDerWaalsContact CZ2-CD1 3.48Å; W855-I877 VanDerWaalsContact NE1-CD1 3.32Å; E875-I877 HydrophobicContact CB-CD1 4.02Å; E875-I877 HydrophobicContact CB-CG1 4.08Å; E875-I877 HydrophobicContact CG-CD1 3.87Å; E875-I877 HydrophobicContact CG-CG1 3.68Å; E875-I877 VanDerWaalsContact OE1-CD1 3.29Å; E875-I877 WeakPolarHBondContact OE1-CD1 3.4Å; E875-I877 WeakPolarHBondContact OE1-CG1 3.33Å; I877-E881 HydrophobicContact CG2-CB 3.86Å; I877-E881 HydrophobicContact CG2-CG 4.17Å; I877-I882 HydrophobicContact CG2-CG2 3.94Å |
| 878 | G | 90.5 | Very high | 80.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 130.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y880 E881 G1702 | G878-Y880 PolarHBondContact O-N 2.62Å; G878-E881 WeakPolarHBondContact O-CB 3.21Å; G878-E881 WeakPolarHBondContact O-CG 3.22Å; G878-E881 PolarHBondContact O-N 3.43Å; G878-G1702 VanDerWaalsContact CA-CA 3.47Å |
| 879 | V | 89.5 | Confident | 80.5 | Confident | 22 Ų | 22 | 53 Ų | 53 | 13% | 0.133 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -56.8 | -29.3 | -172.1 | 171.1 | 0 | 0 | 0 | 0 | 112.4 | Y844 Q849 C851 E881 I882 | Y844-V879 HydrophobicContact CD2-CG2 3.86Å; Y844-V879 HydrophobicContact CE2-CB 4.19Å; Y844-V879 HydrophobicContact CE2-CG1 3.86Å; Y844-V879 HydrophobicContact CE2-CG2 3.23Å; Q849-V879 VanDerWaalsContact O-CG2 3.24Å; Q849-V879 WeakPolarHBondContact O-CG2 3.34Å; Q849-V879 PolarHBondContact O-N 2.79Å; C851-V879 HydrophobicContact CB-CG2 4.25Å; V879-E881 PolarHBondContact O-N 2.97Å; V879-E881 VanDerWaalsContact O-N 3.16Å; V879-I882 VanDerWaalsContact O-CG1 3.29Å; V879-I882 WeakPolarHBondContact O-CG1 3.35Å; V879-I882 PolarHBondContact O-N 2.72Å; V879-I882 VanDerWaalsContact O-N 3.17Å |
| 880 | Y | 88.7 | Confident | 80.5 | Confident | 15 Ų | 15 | 48.3 Ų | 48.3 | 6% | 0.059 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -64.2 | -15.7 | 176 | -46 | -66.4 | 0 | 0 | 0 | 114.8 | K789 Q849 G878 E1619 A1620 A1623 Q1627 F1703 | K789-Y880 WeakPolarHBondContact CD-O 3.49Å; K789-Y880 VanDerWaalsContact CE-O 3.24Å; K789-Y880 WeakPolarHBondContact CE-O 3.46Å; K789-Y880 PolarHBondContact NZ-O 2.87Å; K789-Y880 VanDerWaalsContact NZ-O 3.16Å; Q849-Y880 HydrophobicContact CB-CE2 4.21Å; G878-Y880 PolarHBondContact O-N 2.62Å; Y880-E1619 HydrophobicContact CE2-CB 4.16Å; Y880-E1619 PolarHBondContact OH-OE2 3.49Å; Y880-A1620 HydrophobicContact CD1-CB 3.76Å; Y880-A1620 HydrophobicContact CE1-CB 3.65Å; Y880-A1623 HydrophobicContact CG-CB 4.09Å; Y880-Q1627 PolarHBondContact O-NE2 3.38Å; Y880-F1703 HydrophobicContact CE2-CB 4.09Å |
| 881 | E | 85.8 | Confident | 80.4 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.028 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -86.4 | -17.8 | 175.8 | -47.7 | -153.8 | 127.2 | 0 | 0 | 113.9 | L788 K789 I877 G878 V879 S1706 R1709 H1710 | L788-E881 HydrophobicContact CD2-CB 4.4Å; K789-E881 PolarHBondContact N-O 2.97Å; I877-E881 HydrophobicContact CG2-CB 3.86Å; I877-E881 HydrophobicContact CG2-CG 4.17Å; G878-E881 WeakPolarHBondContact O-CB 3.21Å; G878-E881 WeakPolarHBondContact O-CG 3.22Å; G878-E881 PolarHBondContact O-N 3.43Å; V879-E881 PolarHBondContact O-N 2.97Å; V879-E881 VanDerWaalsContact O-N 3.16Å; E881-S1706 VanDerWaalsContact CG-OG 3.23Å; E881-S1706 WeakPolarHBondContact CG-OG 3.3Å; E881-S1706 WeakPolarHBondContact OE1-CA 3.42Å; E881-R1709 VanDerWaalsContact OE1-CD 3.28Å; E881-R1709 WeakPolarHBondContact OE1-CD 3.33Å; E881-R1709 IonicContact OE1-NE 3.56Å; E881-R1709 VanDerWaalsContact OE2-CD 3.32Å; E881-R1709 WeakPolarHBondContact OE2-CD 3.45Å; E881-R1709 IonicContact OE2-CZ 2.75Å; E881-R1709 IonicContact OE2-NE 3.16Å; E881-R1709 IonicContact OE2-NH1 3.18Å; E881-R1709 PolarHBondContact OE2-NH1 2.97Å; E881-H1710 IonicContact OE1-CE1 2.85Å; E881-H1710 PolarHBondContact OE1-CE1 2.9Å; E881-H1710 IonicContact OE1-ND1 2.68Å; E881-H1710 PolarHBondContact OE1-ND1 3.24Å |
| 882 | I | 86.4 | Confident | 80.5 | Confident | 7 Ų | 7 | 46 Ų | 46 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 148 | -169.5 | 52.1 | 174.2 | 0 | 0 | 0 | 112.4 | L780 S787 L788 K789 C851 V853 W855 I877 V879 | L780-I882 HydrophobicContact CD1-CD1 3.52Å; L780-I882 HydrophobicContact CD1-CG1 4.21Å; S787-I882 CarbonylContact O-C 3.55Å; S787-I882 WeakPolarHBondContact O-CA 3.3Å; L788-I882 HydrophobicContact CD2-CG2 4.03Å; K789-I882 VanDerWaalsContact CE-C 3.46Å; K789-I882 WeakPolarHBondContact CE-O 3.06Å; C851-I882 HydrophobicContact CB-CD1 3.65Å; V853-I882 HydrophobicContact CG2-CD1 4.31Å; W855-I882 HydrophobicContact CH2-CG2 4.28Å; W855-I882 HydrophobicContact CZ2-CG2 4.34Å; I877-I882 HydrophobicContact CG2-CG2 3.94Å; V879-I882 VanDerWaalsContact O-CG1 3.29Å; V879-I882 WeakPolarHBondContact O-CG1 3.35Å; V879-I882 PolarHBondContact O-N 2.72Å; V879-I882 VanDerWaalsContact O-N 3.17Å |
| 883 | S | 78.4 | Confident | 80.4 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.4 | 175.1 | 55.9 | 0 | 0 | 0 | 0 | 109.4 | V786 S787 K792 | V786-S883 WeakPolarHBondContact CA-O 3.43Å; S787-S883 PolarHBondContact N-O 2.84Å; S787-S883 PolarHBondContact O-N 2.84Å; S787-S883 PolarHBondContact O-OG 2.87Å; S787-S883 PolarHBondContact OG-O 3Å; S787-S883 PolarHBondContact OG-OG 3.45Å; K792-S883 PolarHBondContact NZ-OG 3.4Å |
| 884 | G | 72.9 | Confident | 80.1 | Confident | 45 Ų | 45 | 41.5 Ų | 41.5 | 46% | 0.464 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 145.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L785 | L785-G884 WeakPolarHBondContact O-CA 3.41Å |
| 885 | S | 63.4 | Low | 79.6 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | trans | -102.2 | 112.5 | 167.4 | 57.5 | 0 | 0 | 0 | 0 | 109.3 | L785 E887 | L785-S885 WeakPolarHBondContact CB-OG 3.41Å; L785-S885 PolarHBondContact O-N 3.36Å; L785-S885 VanDerWaalsContact O-N 3.08Å; S885-E887 PolarHBondContact O-N 3.11Å; S885-E887 PolarHBondContact OG-O 3.47Å | ||
| 886 | G | 58.5 | Low | 79.2 | Confident | 70 Ų | 70 | 37 Ų | 37 | 72% | 0.722 | 22% | 0.216 | S | C | * | . | trans | -63.8 | -31.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y888 Q889 | G886-Y888 PolarHBondContact O-N 3.32Å; G886-Q889 PolarHBondContact O-N 3.01Å | ||
| 887 | E | 54.9 | Low | 78.6 | Confident | 152 Ų | 152 | 33.9 Ų | 33.9 | 71% | 0.71 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 125.4 | 167.2 | -65.5 | 176 | -165.3 | 0 | 0 | 110.3 | S885 Q889 | S885-E887 PolarHBondContact O-N 3.11Å; S885-E887 PolarHBondContact OG-O 3.47Å; E887-Q889 PolarHBondContact O-N 3.12Å |
| 888 | Y | 62.5 | Low | 77.9 | Confident | 138 Ų | 138 | 34.4 Ų | 34.4 | 54% | 0.541 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 13.4 | -177 | -46 | -83.2 | 0 | 0 | 0 | 116.2 | G886 R938 | G886-Y888 PolarHBondContact O-N 3.32Å; Y888-R938 VanDerWaalsContact O-CZ 3.28Å; Y888-R938 PolarHBondContact O-NE 3.29Å; Y888-R938 PolarHBondContact O-NH2 3.47Å |
| 889 | Q | 76.5 | Confident | 76.8 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 22% | 0.224 | 23% | 0.232 | C | C | . | . | trans | -65.4 | 141.3 | 165.8 | -172.1 | 50.5 | 40.9 | 0 | 0 | 109.8 | F784 G886 E887 | F784-Q889 VanDerWaalsContact CD1-NE2 3.33Å; G886-Q889 PolarHBondContact O-N 3.01Å; E887-Q889 PolarHBondContact O-N 3.12Å | ||
| 890 | M | 79.6 | Confident | 75.3 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | trans | -154.6 | 145.1 | -172 | -69.6 | 176.8 | 153.2 | 0 | 0 | 109 | D894 V896 L914 L924 C941 | M890-D894 WeakPolarHBondContact CA-OD2 3.46Å; M890-V896 HydrophobicContact CE-CG1 3.84Å; M890-V896 HydrophobicContact CE-CG2 4.1Å; M890-V896 HydrophobicContact SD-CG2 4.27Å; M890-L914 HydrophobicContact CB-CD2 3.82Å; M890-L924 HydrophobicContact SD-CD1 3.59Å; M890-L924 VanDerWaalsContact SD-CD1 3.59Å; M890-C941 HydrophobicContact CE-CB 3.9Å | ||
| 891 | N | 81.9 | Confident | 73.7 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | trans | -125.1 | 161.1 | -172.1 | -53.4 | -43.7 | 0 | 0 | 0 | 111.6 | G893 D894 L914 | N891-G893 PolarHBondContact O-N 3.2Å; N891-D894 VanDerWaalsContact N-CG 3.35Å; N891-D894 PolarHBondContact N-OD2 2.99Å; N891-D894 WeakPolarHBondContact O-CB 3.41Å; N891-D894 PolarHBondContact O-N 2.78Å; N891-L914 WeakPolarHBondContact O-CD2 3.05Å | ||
| 892 | Y | 86.4 | Confident | 72.2 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 131.7 | 177.6 | -52.1 | -89 | 0 | 0 | 0 | 109.7 | P87 G88 K754 I917 | P87-Y892 CarbonylContact C-O 3.06Å; P87-Y892 WeakPolarHBondContact CB-O 3.5Å; G88-Y892 WeakPolarHBondContact CA-O 3.4Å; G88-Y892 PolarHBondContact N-O 3.21Å; K754-Y892 WeakPolarHBondContact CD-OH 3.38Å; K754-Y892 PolarHBondContact NZ-OH 3.49Å; Y892-I917 HydrophobicContact CE1-CB 4.43Å; Y892-I917 HydrophobicContact CE1-CD1 4.37Å; Y892-I917 HydrophobicContact CE1-CG1 4.05Å; Y892-I917 HydrophobicContact CE2-CD1 4.38Å |
| 893 | G | 80 | Confident | 70.5 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -18 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N891 L914 | N891-G893 PolarHBondContact O-N 3.2Å; G893-L914 PolarHBondContact N-O 3.29Å |
| 894 | D | 82.1 | Confident | 69.6 | Low | 34 Ų | 34 | 56.9 Ų | 56.9 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | trans | -54.2 | 138.4 | 177.7 | -71.7 | 5.1 | 0 | 0 | 0 | 112.2 | M890 N891 V896 V913 L914 A944 | M890-D894 WeakPolarHBondContact CA-OD2 3.46Å; N891-D894 VanDerWaalsContact N-CG 3.35Å; N891-D894 PolarHBondContact N-OD2 2.99Å; N891-D894 WeakPolarHBondContact O-CB 3.41Å; N891-D894 PolarHBondContact O-N 2.78Å; D894-V896 HydrophobicContact CB-CG2 4.2Å; D894-V896 PolarHBondContact O-N 3.46Å; D894-V913 CarbonylContact O-C 3.42Å; D894-V913 WeakPolarHBondContact O-CA 3.5Å; D894-L914 HydrophobicContact CB-CB 4.31Å; D894-L914 PolarHBondContact O-N 2.84Å; D894-A944 HydrophobicContact CB-CB 3.91Å; D894-A944 WeakPolarHBondContact OD2-CB 3.41Å | ||
| 895 | I | 80.4 | Confident | 69 | Low | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 112.5 | 167.2 | -57.5 | 177.9 | 0 | 0 | 0 | 108.5 | Y142 V362 I363 A911 G912 A944 I945 | Y142-I895 HydrophobicContact CD1-CD1 4.42Å; Y142-I895 HydrophobicContact CD2-CD1 3.46Å; Y142-I895 VanDerWaalsContact CD2-CD1 3.46Å; Y142-I895 HydrophobicContact CE2-CD1 4.1Å; Y142-I895 HydrophobicContact CG-CD1 3.65Å; V362-I895 HydrophobicContact CG1-CD1 4.31Å; V362-I895 HydrophobicContact CG1-CG1 4.46Å; V362-I895 HydrophobicContact CG1-CG2 3.9Å; I363-I895 HydrophobicContact CD1-CD1 4.19Å; I363-I895 HydrophobicContact CG1-CD1 4.17Å; I895-A911 HydrophobicContact CG2-CB 4.35Å; I895-G912 CarbonylContact C-O 3.57Å; I895-G912 WeakPolarHBondContact CA-O 3.4Å; I895-A944 CarbonylContact O-C 3.51Å; I895-A944 WeakPolarHBondContact O-CA 3.32Å; I895-I945 HydrophobicContact CB-CB 4.41Å; I895-I945 HydrophobicContact CG2-CD1 4.01Å; I895-I945 PolarHBondContact O-N 3.33Å |
| 896 | V | 81.3 | Confident | 69.1 | Low | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.4 | -174.3 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | M890 D894 A911 G912 L914 I926 C941 | M890-V896 HydrophobicContact CE-CG1 3.84Å; M890-V896 HydrophobicContact CE-CG2 4.1Å; M890-V896 HydrophobicContact SD-CG2 4.27Å; D894-V896 HydrophobicContact CB-CG2 4.2Å; D894-V896 PolarHBondContact O-N 3.46Å; V896-A911 WeakPolarHBondContact O-CA 3.38Å; V896-A911 WeakPolarHBondContact O-CB 3.44Å; V896-G912 PolarHBondContact N-O 3.25Å; V896-G912 PolarHBondContact O-N 2.81Å; V896-G912 VanDerWaalsContact O-N 3.15Å; V896-L914 HydrophobicContact CG2-CB 4.06Å; V896-I926 HydrophobicContact CB-CD1 4.03Å; V896-I926 HydrophobicContact CG1-CD1 3.72Å; V896-C941 HydrophobicContact CG1-CB 3.6Å; V896-C941 VanDerWaalsContact CG1-SG 3.51Å |
| 897 | V | 79.7 | Confident | 69.5 | Low | 15 Ų | 15 | 59.1 Ų | 59.1 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132 | 176.4 | -171.9 | 0 | 0 | 0 | 0 | 110.6 | L149 P910 A911 C941 L942 Q943 I945 | L149-V897 HydrophobicContact CD2-CG2 4.06Å; V897-P910 WeakPolarHBondContact CA-O 3.19Å; V897-A911 HydrophobicContact CG2-CB 4.17Å; V897-C941 CarbonylContact O-C 3.53Å; V897-C941 WeakPolarHBondContact O-CA 3.12Å; V897-L942 HydrophobicContact CG1-CD1 4.2Å; V897-L942 PolarHBondContact O-N 3.23Å; V897-Q943 PolarHBondContact N-O 3.04Å; V897-I945 HydrophobicContact CG2-CD1 3.53Å; V897-I945 HydrophobicContact CG2-CG1 3.89Å |
| 898 | I | 76.9 | Confident | 70.1 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 139.5 | 175.1 | -73.7 | -170 | 0 | 0 | 0 | 112 | S900 Y906 P910 W928 V936 D940 | I898-S900 PolarHBondContact O-N 2.8Å; I898-Y906 HydrophobicContact CD1-CD2 3.5Å; I898-Y906 HydrophobicContact CD1-CE2 4.21Å; I898-Y906 HydrophobicContact CD1-CG 3.97Å; I898-P910 PolarHBondContact N-O 2.86Å; I898-W928 HydrophobicContact CD1-CH2 3.44Å; I898-W928 VanDerWaalsContact CD1-CH2 3.44Å; I898-W928 HydrophobicContact CD1-CZ2 3.93Å; I898-W928 HydrophobicContact CD1-CZ3 4.5Å; I898-W928 HydrophobicContact CG1-CH2 3.95Å; I898-V936 HydrophobicContact CD1-CG1 3.73Å; I898-V936 HydrophobicContact CD1-CG2 4.12Å; I898-V936 HydrophobicContact CG1-CG1 4.33Å; I898-D940 CarbonylContact C-O 3.58Å; I898-D940 WeakPolarHBondContact CA-O 3.49Å |
| 899 | K | 67.4 | Low | 70.6 | Confident | 126 Ų | 126 | 52 Ų | 52 | 55% | 0.548 | 29% | 0.293 | S | S | . | . | trans | -68.5 | 105 | 171.1 | -174.7 | 170.4 | -177.4 | 178.3 | 0 | 109.8 | G901 D940 L942 | K899-G901 PolarHBondContact O-N 2.63Å; K899-G901 VanDerWaalsContact O-N 3.14Å; K899-D940 WeakPolarHBondContact CB-O 3.27Å; K899-D940 PolarHBondContact N-O 2.89Å; K899-L942 HydrophobicContact CB-CD2 3.76Å; K899-L942 HydrophobicContact CB-CG 3.88Å; K899-L942 HydrophobicContact CD-CD2 4.07Å; K899-L942 HydrophobicContact CG-CD2 3.81Å; K899-L942 HydrophobicContact CG-CG 4.45Å | ||
| 900 | S | 57.5 | Low | 70.5 | Confident | 60 Ų | 60 | 49.8 Ų | 49.8 | 42% | 0.42 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 116.5 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | R339 I898 | R339-S900 WeakPolarHBondContact O-CB 3.38Å; R339-S900 PolarHBondContact O-OG 2.89Å; I898-S900 PolarHBondContact O-N 2.8Å |
| 901 | G | 54.6 | Low | 70.5 | Confident | 77 Ų | 77 | 49.6 Ų | 49.6 | 79% | 0.794 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 167.2 | -26.4 | 180 | 0 | 0 | 0 | 0 | 0 | 116.2 | K899 | K899-G901 PolarHBondContact O-N 2.63Å; K899-G901 VanDerWaalsContact O-N 3.14Å |
| 902 | S | 54 | Low | 70.5 | Confident | 26 Ų | 26 | 46.3 Ų | 46.3 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | trans | -90.5 | 145.8 | 178.3 | 55.6 | 0 | 0 | 0 | 0 | 113.1 | T904 | S902-T904 WeakPolarHBondContact CB-OG1 3.43Å; S902-T904 PolarHBondContact O-N 2.82Å; S902-T904 PolarHBondContact OG-OG1 3.42Å | ||
| 903 | E | 52.3 | Low | 70.5 | Confident | 203 Ų | 203 | 46.9 Ų | 46.9 | 95% | 0.949 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -69.9 | 6.2 | 174 | -60.9 | -172.7 | 135.9 | 0 | 0 | 113.8 | D905 | E903-D905 PolarHBondContact O-N 2.88Š|
| 904 | T | 58.8 | Low | 70.9 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | trans | -79.9 | 106.7 | 179.7 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | R339 S902 Y906 | R339-T904 PolarHBondContact NH2-O 3Å; S902-T904 WeakPolarHBondContact CB-OG1 3.43Å; S902-T904 PolarHBondContact O-N 2.82Å; S902-T904 PolarHBondContact OG-OG1 3.42Å; T904-Y906 VanDerWaalsContact C-N 3.28Å; T904-Y906 HydrophobicContact CG2-CE2 4.47Å; T904-Y906 PolarHBondContact O-N 3.47Å; T904-Y906 WeakPolarHBondContact OG1-CD2 3.44Å; T904-Y906 WeakPolarHBondContact OG1-CE2 3.37Å | ||
| 905 | D | 60.4 | Low | 71.1 | Confident | 141 Ų | 141 | 46.8 Ų | 46.8 | 75% | 0.754 | 26% | 0.259 | S | S | * | . | trans | -73.2 | 79 | 172.6 | -85.6 | -32.8 | 0 | 0 | 0 | 111.9 | R339 E903 | R339-D905 IonicContact NH1-OD1 2.66Å; R339-D905 PolarHBondContact NH1-OD1 2.92Å; R339-D905 IonicContact NH2-OD1 3.65Å; E903-D905 PolarHBondContact O-N 2.88Å | ||
| 906 | Y | 65 | Low | 71.6 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 12% | 0.122 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -72.9 | -50.4 | 171.4 | -61.6 | -60 | 0 | 0 | 0 | 111.5 | I898 T904 W928 E935 V936 D940 | I898-Y906 HydrophobicContact CD1-CD2 3.5Å; I898-Y906 HydrophobicContact CD1-CE2 4.21Å; I898-Y906 HydrophobicContact CD1-CG 3.97Å; T904-Y906 VanDerWaalsContact C-N 3.28Å; T904-Y906 HydrophobicContact CG2-CE2 4.47Å; T904-Y906 PolarHBondContact O-N 3.47Å; T904-Y906 WeakPolarHBondContact OG1-CD2 3.44Å; T904-Y906 WeakPolarHBondContact OG1-CE2 3.37Å; Y906-W928 PolarHBondContact O-NE1 3.2Å; Y906-E935 VanDerWaalsContact CE1-O 3.3Å; Y906-E935 WeakPolarHBondContact CE1-O 3.49Å; Y906-V936 HydrophobicContact CD1-CB 4.47Å; Y906-V936 HydrophobicContact CD1-CG2 3.79Å; Y906-V936 HydrophobicContact CD2-CG1 4.26Å; Y906-V936 HydrophobicContact CE1-CB 4.28Å; Y906-V936 HydrophobicContact CE1-CG1 4.26Å; Y906-V936 HydrophobicContact CE1-CG2 4.09Å; Y906-V936 HydrophobicContact CE2-CG1 3.91Å; Y906-V936 HydrophobicContact CG-CG2 4Å; Y906-D940 HydrophobicContact CE2-CB 4.26Å; Y906-D940 PolarHBondContact OH-OD2 3.07Å |
| 907 | S | 66.3 | Low | 71.9 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | trans | -160.3 | 171.6 | 164.9 | 84.6 | 0 | 0 | 0 | 0 | 111.1 | R339 Y909 W928 | R339-S907 VanDerWaalsContact CZ-O 3.31Å; R339-S907 PolarHBondContact NH1-O 3.31Å; S907-Y909 PolarHBondContact O-N 3.45Å; S907-Y909 PolarHBondContact OG-N 3.37Å; S907-Y909 PolarHBondContact OG-O 2.69Å; S907-W928 VanDerWaalsContact CB-CD2 3.47Å; S907-W928 VanDerWaalsContact CB-CG 3.49Å; S907-W928 VanDerWaalsContact OG-CD2 3.25Å | ||
| 908 | I | 68.4 | Low | 72.3 | Confident | 100 Ų | 100 | 51 Ų | 51 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -71.6 | -19.9 | 173.6 | -60.7 | 175.7 | 0 | 0 | 0 | 111.3 | ||
| 909 | Y | 72.8 | Confident | 72.7 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 15% | 0.153 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -92.5 | 152 | -172.1 | -60.6 | -64 | 0 | 0 | 0 | 112.4 | I144 N146 K360 S907 A911 I929 D930 | I144-Y909 HydrophobicContact CG2-CD1 3.69Å; I144-Y909 HydrophobicContact CG2-CE1 4.03Å; N146-Y909 WeakPolarHBondContact O-CD1 3.18Å; N146-Y909 WeakPolarHBondContact O-CE1 3.45Å; K360-Y909 PolarHBondContact NZ-OH 2.61Å; K360-Y909 VanDerWaalsContact NZ-OH 3.09Å; S907-Y909 PolarHBondContact O-N 3.45Å; S907-Y909 PolarHBondContact OG-N 3.37Å; S907-Y909 PolarHBondContact OG-O 2.69Å; Y909-A911 VanDerWaalsContact C-N 3.34Å; Y909-I929 HydrophobicContact CD2-CB 4.24Å; Y909-I929 HydrophobicContact CE2-CB 4.37Å; Y909-D930 HydrophobicContact CE2-CB 4.19Å |
| 910 | P | 74.5 | Confident | 73.5 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -76.5 | -19 | -179.1 | 32 | -37.9 | 0 | 0 | 0 | 113.9 | I144 S147 L149 R339 V897 I898 | I144-P910 HydrophobicContact CD1-CG 3.86Å; I144-P910 HydrophobicContact CG1-CG 4.46Å; S147-P910 WeakPolarHBondContact O-CD 3.4Å; S147-P910 VanDerWaalsContact O-CG 3.3Å; S147-P910 WeakPolarHBondContact O-CG 3.4Å; L149-P910 HydrophobicContact CB-CG 3.9Å; R339-P910 HydrophobicContact CB-CB 4.13Å; V897-P910 WeakPolarHBondContact CA-O 3.19Å; I898-P910 PolarHBondContact N-O 2.86Å |
| 911 | A | 80.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 157.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I144 L149 I895 V896 V897 Y909 W928 | I144-A911 HydrophobicContact CD1-CB 4.4Å; L149-A911 HydrophobicContact CD2-CB 3.73Å; I895-A911 HydrophobicContact CG2-CB 4.35Å; V896-A911 WeakPolarHBondContact O-CA 3.38Å; V896-A911 WeakPolarHBondContact O-CB 3.44Å; V897-A911 HydrophobicContact CG2-CB 4.17Å; Y909-A911 VanDerWaalsContact C-N 3.34Å; A911-W928 VanDerWaalsContact C-CZ3 3.42Å |
| 912 | G | 82 | Confident | 76 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | -175.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | I895 V896 R927 | I895-G912 CarbonylContact C-O 3.57Å; I895-G912 WeakPolarHBondContact CA-O 3.4Å; V896-G912 PolarHBondContact N-O 3.25Å; V896-G912 PolarHBondContact O-N 2.81Å; V896-G912 VanDerWaalsContact O-N 3.15Å; G912-R927 CarbonylContact C-O 3.51Å; G912-R927 WeakPolarHBondContact CA-O 3.38Å |
| 913 | V | 85.6 | Confident | 77.5 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 12% | 0.121 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.6 | -177.4 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | D894 E915 I926 R927 | D894-V913 CarbonylContact O-C 3.42Å; D894-V913 WeakPolarHBondContact O-CA 3.5Å; V913-E915 PolarHBondContact O-N 3Å; V913-I926 WeakPolarHBondContact O-CA 3.43Å; V913-R927 PolarHBondContact N-O 3.42Å; V913-R927 PolarHBondContact O-N 2.65Å |
| 914 | L | 88.7 | Confident | 79.3 | Confident | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 113.1 | 176.8 | -175.1 | 47.3 | 0 | 0 | 0 | 111.3 | M890 N891 G893 D894 V896 D916 I917 L924 | M890-L914 HydrophobicContact CB-CD2 3.82Å; N891-L914 WeakPolarHBondContact O-CD2 3.05Å; G893-L914 PolarHBondContact N-O 3.29Å; D894-L914 HydrophobicContact CB-CB 4.31Å; D894-L914 PolarHBondContact O-N 2.84Å; V896-L914 HydrophobicContact CG2-CB 4.06Å; L914-D916 VanDerWaalsContact CD1-O 3.29Å; L914-D916 WeakPolarHBondContact CD1-O 3.22Å; L914-I917 HydrophobicContact CD1-CG1 4.32Å; L914-I917 HydrophobicContact CD2-CD1 4.22Å; L914-I917 HydrophobicContact CD2-CG1 4.11Å; L914-I917 HydrophobicContact CG-CG1 4.41Å; L914-L924 HydrophobicContact CD1-CB 3.78Å; L914-L924 HydrophobicContact CD1-CD1 4.46Å; L914-L924 HydrophobicContact CD1-CD2 4.13Å; L914-L924 HydrophobicContact CD1-CG 4.33Å; L914-L924 HydrophobicContact CD2-CD2 4.31Å |
| 915 | E | 86.8 | Confident | 80.8 | Confident | 61 Ų | 61 | 36 Ų | 36 | 29% | 0.285 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -38.1 | -174.9 | 172.8 | 165.3 | -146.4 | 0 | 0 | 113.1 | V913 V925 R927 S933 | V913-E915 PolarHBondContact O-N 3Å; E915-V925 HydrophobicContact CB-CG1 4.33Å; E915-V925 HydrophobicContact CG-CG1 4.46Å; E915-V925 PolarHBondContact N-O 2.76Å; E915-R927 HydrophobicContact CB-CB 4.4Å; E915-R927 IonicContact OE1-CZ 3.55Å; E915-R927 IonicContact OE1-NE 3.25Å; E915-R927 PolarHBondContact OE1-NE 2.88Å; E915-R927 IonicContact OE1-NH2 2.97Å; E915-R927 PolarHBondContact OE1-NH2 2.83Å; E915-R927 IonicContact OE2-CZ 3.69Å; E915-R927 IonicContact OE2-NE 2.75Å; E915-R927 PolarHBondContact OE2-NE 3.21Å; E915-R927 IonicContact OE2-NH2 3.84Å; E915-S933 WeakPolarHBondContact OE2-CB 3.41Å; E915-S933 PolarHBondContact OE2-OG 3.39Å |
| 916 | D | 89.3 | Confident | 82.1 | Confident | 63 Ų | 63 | 29.2 Ų | 29.2 | 34% | 0.337 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 162.3 | 171.1 | -161.3 | 1 | 0 | 0 | 0 | 111.4 | K754 L914 V925 | K754-D916 IonicContact NZ-OD1 2.58Å; K754-D916 PolarHBondContact NZ-OD1 3.4Å; L914-D916 VanDerWaalsContact CD1-O 3.29Å; L914-D916 WeakPolarHBondContact CD1-O 3.22Å; D916-V925 HydrophobicContact CB-CB 4.13Å; D916-V925 HydrophobicContact CB-CG2 4.17Å; D916-V925 PolarHBondContact N-O 3.15Å; D916-V925 PolarHBondContact O-N 2.94Å |
| 917 | I | 89.5 | Confident | 83.1 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 115.7 | 175.3 | -55 | 174.7 | 0 | 0 | 0 | 107.2 | K754 Y892 L914 P919 L924 | K754-I917 PolarHBondContact NZ-O 3.23Å; Y892-I917 HydrophobicContact CE1-CB 4.43Å; Y892-I917 HydrophobicContact CE1-CD1 4.37Å; Y892-I917 HydrophobicContact CE1-CG1 4.05Å; Y892-I917 HydrophobicContact CE2-CD1 4.38Å; L914-I917 HydrophobicContact CD1-CG1 4.32Å; L914-I917 HydrophobicContact CD2-CD1 4.22Å; L914-I917 HydrophobicContact CD2-CG1 4.11Å; L914-I917 HydrophobicContact CG-CG1 4.41Å; I917-P919 WeakPolarHBondContact O-CD 3.37Å; I917-L924 HydrophobicContact CG1-CD2 4.09Å; I917-L924 HydrophobicContact CG2-CD2 4.14Å |
| 918 | I | 88 | Confident | 83.9 | Confident | 40 Ų | 40 | 28.7 Ų | 28.7 | 21% | 0.205 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 96.9 | -178.6 | -54 | 174.4 | 0 | 0 | 0 | 108.4 | E920 S921 G922 K923 V925 E935 | I918-E920 VanDerWaalsContact C-N 3.35Å; I918-E920 WeakPolarHBondContact CG2-OE2 3.22Å; I918-E920 PolarHBondContact O-N 2.94Å; I918-S921 VanDerWaalsContact CG2-OG 3.28Å; I918-S921 WeakPolarHBondContact CG2-OG 3.09Å; I918-S921 PolarHBondContact O-N 3.19Å; I918-G922 PolarHBondContact O-N 2.86Å; I918-G922 VanDerWaalsContact O-N 3.11Å; I918-K923 PolarHBondContact N-O 2.74Å; I918-K923 PolarHBondContact O-N 3.04Å; I918-V925 HydrophobicContact CD1-CG2 3.76Å; I918-V925 HydrophobicContact CG1-CG2 4.04Å; I918-E935 HydrophobicContact CD1-CG 4.15Å |
| 919 | P | 84.9 | Confident | 84.2 | Confident | 9 Ų | 9 | 25.2 Ų | 25.2 | 6% | 0.058 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -27.9 | -163.4 | -19.2 | 37.1 | 0 | 0 | 0 | 112.8 | V840 L842 I917 S921 | V840-P919 HydrophobicContact CG1-CB 3.88Å; L842-P919 HydrophobicContact CD2-CB 3.53Å; I917-P919 WeakPolarHBondContact O-CD 3.37Å; P919-S921 VanDerWaalsContact C-N 3.31Å; P919-S921 PolarHBondContact O-N 3.46Å |
| 920 | E | 83.8 | Confident | 84.3 | Confident | 118 Ų | 118 | 25.7 Ų | 25.7 | 55% | 0.551 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -26 | -179.9 | -49.9 | 83.7 | 173.1 | 0 | 0 | 112.8 | I918 | I918-E920 VanDerWaalsContact C-N 3.35Å; I918-E920 WeakPolarHBondContact CG2-OE2 3.22Å; I918-E920 PolarHBondContact O-N 2.94Å |
| 921 | S | 84.1 | Confident | 84.3 | Confident | 33 Ų | 33 | 28.3 Ų | 28.3 | 23% | 0.231 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -3.8 | 179.6 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | I918 P919 K923 | I918-S921 VanDerWaalsContact CG2-OG 3.28Å; I918-S921 WeakPolarHBondContact CG2-OG 3.09Å; I918-S921 PolarHBondContact O-N 3.19Å; P919-S921 VanDerWaalsContact C-N 3.31Å; P919-S921 PolarHBondContact O-N 3.46Å; S921-K923 PolarHBondContact O-N 3.17Å; S921-K923 WeakPolarHBondContact OG-CG 3.35Å |
| 922 | G | 80 | Confident | 84.4 | Confident | 5 Ų | 5 | 31.8 Ų | 31.8 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 23.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | I918 | I918-G922 PolarHBondContact O-N 2.86Å; I918-G922 VanDerWaalsContact O-N 3.11Å |
| 923 | K | 86.7 | Confident | 84.7 | Confident | 44 Ų | 44 | 34.5 Ų | 34.5 | 19% | 0.191 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 155.1 | -176.7 | -64.4 | -166.1 | -161 | 175.3 | 0 | 112 | I918 S921 E935 V936 Y937 | I918-K923 PolarHBondContact N-O 2.74Å; I918-K923 PolarHBondContact O-N 3.04Å; S921-K923 PolarHBondContact O-N 3.17Å; S921-K923 WeakPolarHBondContact OG-CG 3.35Å; K923-E935 HydrophobicContact CD-CB 3.84Å; K923-E935 HydrophobicContact CD-CG 4.44Å; K923-E935 WeakPolarHBondContact CD-OE2 3.22Å; K923-E935 IonicContact NZ-OE2 2.94Å; K923-E935 PolarHBondContact NZ-OE2 2.69Å; K923-V936 WeakPolarHBondContact CA-O 3.48Å; K923-Y937 HydrophobicContact CD-CE1 4.32Å; K923-Y937 HydrophobicContact CG-CD1 3.99Å; K923-Y937 HydrophobicContact CG-CE1 4.01Å |
| 924 | L | 88.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 142 | 172 | -54 | -177.6 | 0 | 0 | 0 | 109.1 | M890 L914 I917 I926 E935 V936 R938 | M890-L924 HydrophobicContact SD-CD1 3.59Å; M890-L924 VanDerWaalsContact SD-CD1 3.59Å; L914-L924 HydrophobicContact CD1-CB 3.78Å; L914-L924 HydrophobicContact CD1-CD1 4.46Å; L914-L924 HydrophobicContact CD1-CD2 4.13Å; L914-L924 HydrophobicContact CD1-CG 4.33Å; L914-L924 HydrophobicContact CD2-CD2 4.31Å; I917-L924 HydrophobicContact CG1-CD2 4.09Å; I917-L924 HydrophobicContact CG2-CD2 4.14Å; L924-I926 HydrophobicContact CB-CG1 4.18Å; L924-E935 CarbonylContact O-C 3.57Å; L924-E935 WeakPolarHBondContact O-CA 2.92Å; L924-V936 PolarHBondContact N-O 3.35Å; L924-V936 PolarHBondContact O-N 3.31Å; L924-R938 HydrophobicContact CD1-CB 4.48Å; L924-R938 HydrophobicContact CD1-CG 4.22Å; L924-R938 HydrophobicContact CD2-CG 4.47Å; L924-R938 HydrophobicContact CG-CB 4.39Å; L924-R938 HydrophobicContact CG-CG 4.44Å |
| 925 | V | 90.1 | Very high | 84.7 | Confident | 26 Ų | 26 | 39.6 Ų | 39.6 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 111.7 | 166.1 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | E915 D916 I918 | E915-V925 HydrophobicContact CB-CG1 4.33Å; E915-V925 HydrophobicContact CG-CG1 4.46Å; E915-V925 PolarHBondContact N-O 2.76Å; D916-V925 HydrophobicContact CB-CB 4.13Å; D916-V925 HydrophobicContact CB-CG2 4.17Å; D916-V925 PolarHBondContact N-O 3.15Å; D916-V925 PolarHBondContact O-N 2.94Å; I918-V925 HydrophobicContact CD1-CG2 3.76Å; I918-V925 HydrophobicContact CG1-CG2 4.04Å |
| 926 | I | 88.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.1 | -178.7 | -56.5 | -178.9 | 0 | 0 | 0 | 108.9 | V896 V913 L924 W928 S933 S934 V936 | V896-I926 HydrophobicContact CB-CD1 4.03Å; V896-I926 HydrophobicContact CG1-CD1 3.72Å; V913-I926 WeakPolarHBondContact O-CA 3.43Å; L924-I926 HydrophobicContact CB-CG1 4.18Å; I926-W928 HydrophobicContact CB-CH2 4.12Å; I926-W928 HydrophobicContact CB-CZ2 3.84Å; I926-W928 HydrophobicContact CD1-CH2 4.27Å; I926-W928 HydrophobicContact CG2-CD2 4.29Å; I926-W928 HydrophobicContact CG2-CE3 4.21Å; I926-W928 HydrophobicContact CG2-CH2 3.63Å; I926-W928 HydrophobicContact CG2-CZ2 3.76Å; I926-W928 HydrophobicContact CG2-CZ3 3.9Å; I926-S933 CarbonylContact O-C 3.53Å; I926-S933 WeakPolarHBondContact O-CA 3.22Å; I926-S934 PolarHBondContact N-O 2.93Å; I926-S934 PolarHBondContact O-N 2.88Å; I926-V936 HydrophobicContact CB-CG2 4.41Å; I926-V936 HydrophobicContact CD1-CB 4.02Å; I926-V936 HydrophobicContact CD1-CG1 4.31Å; I926-V936 HydrophobicContact CD1-CG2 3.9Å; I926-V936 HydrophobicContact CG1-CB 4.48Å; I926-V936 HydrophobicContact CG1-CG2 4.18Å |
| 927 | R | 86.7 | Confident | 84.1 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 11% | 0.109 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.2 | 174.4 | -166.7 | -172.7 | -59.3 | 144.2 | -1.1 | 110.5 | N365 G912 V913 E915 S933 | N365-R927 PolarHBondContact OD1-NH1 2.84Å; G912-R927 CarbonylContact C-O 3.51Å; G912-R927 WeakPolarHBondContact CA-O 3.38Å; V913-R927 PolarHBondContact N-O 3.42Å; V913-R927 PolarHBondContact O-N 2.65Å; E915-R927 HydrophobicContact CB-CB 4.4Å; E915-R927 IonicContact OE1-CZ 3.55Å; E915-R927 IonicContact OE1-NE 3.25Å; E915-R927 PolarHBondContact OE1-NE 2.88Å; E915-R927 IonicContact OE1-NH2 2.97Å; E915-R927 PolarHBondContact OE1-NH2 2.83Å; E915-R927 IonicContact OE2-CZ 3.69Å; E915-R927 IonicContact OE2-NE 2.75Å; E915-R927 PolarHBondContact OE2-NE 3.21Å; E915-R927 IonicContact OE2-NH2 3.84Å; R927-S933 WeakPolarHBondContact CG-OG 3.47Å |
| 928 | W | 83.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | trans | -93.6 | 166.3 | -177.8 | -52.2 | 109.1 | 0 | 0 | 0 | 112.5 | I898 Y906 S907 A911 I926 D930 G931 T932 S934 V936 | I898-W928 HydrophobicContact CD1-CH2 3.44Å; I898-W928 VanDerWaalsContact CD1-CH2 3.44Å; I898-W928 HydrophobicContact CD1-CZ2 3.93Å; I898-W928 HydrophobicContact CD1-CZ3 4.5Å; I898-W928 HydrophobicContact CG1-CH2 3.95Å; Y906-W928 PolarHBondContact O-NE1 3.2Å; S907-W928 VanDerWaalsContact CB-CD2 3.47Å; S907-W928 VanDerWaalsContact CB-CG 3.49Å; S907-W928 VanDerWaalsContact OG-CD2 3.25Å; A911-W928 VanDerWaalsContact C-CZ3 3.42Å; I926-W928 HydrophobicContact CB-CH2 4.12Å; I926-W928 HydrophobicContact CB-CZ2 3.84Å; I926-W928 HydrophobicContact CD1-CH2 4.27Å; I926-W928 HydrophobicContact CG2-CD2 4.29Å; I926-W928 HydrophobicContact CG2-CE3 4.21Å; I926-W928 HydrophobicContact CG2-CH2 3.63Å; I926-W928 HydrophobicContact CG2-CZ2 3.76Å; I926-W928 HydrophobicContact CG2-CZ3 3.9Å; W928-D930 VanDerWaalsContact C-N 3.25Å; W928-D930 PolarHBondContact O-N 2.75Å; W928-G931 WeakPolarHBondContact O-CA 3.28Å; W928-G931 PolarHBondContact O-N 3.22Å; W928-T932 PolarHBondContact N-O 3.05Å; W928-S934 PolarHBondContact NE1-OG 3.18Å; W928-V936 HydrophobicContact CZ2-CG2 4.05Å | ||
| 929 | I | 75 | Confident | 83 | Confident | 27 Ų | 27 | 36.9 Ų | 36.9 | 14% | 0.138 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.1 | -174.8 | -73 | 153.2 | 0 | 0 | 0 | 114.2 | I144 K360 V362 Y909 G931 | I144-I929 HydrophobicContact CB-CD1 3.89Å; I144-I929 HydrophobicContact CD1-CD1 3.25Å; I144-I929 HydrophobicContact CG1-CD1 4.03Å; I144-I929 HydrophobicContact CG2-CD1 4.21Å; K360-I929 HydrophobicContact CB-CG2 3.77Å; K360-I929 HydrophobicContact CD-CG2 3.41Å; K360-I929 VanDerWaalsContact CD-CG2 3.41Å; K360-I929 HydrophobicContact CG-CG2 4.27Å; V362-I929 HydrophobicContact CB-CD1 4.39Å; V362-I929 HydrophobicContact CG1-CD1 4.3Å; V362-I929 HydrophobicContact CG2-CD1 4.1Å; Y909-I929 HydrophobicContact CD2-CB 4.24Å; Y909-I929 HydrophobicContact CE2-CB 4.37Å; I929-G931 VanDerWaalsContact C-N 3.25Å |
| 930 | D | 73 | Confident | 82.7 | Confident | 48 Ų | 48 | 36.7 Ų | 36.7 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -1.6 | 167.9 | 51.6 | 32 | 0 | 0 | 0 | 113.2 | L578 Y909 W928 T932 | L578-D930 WeakPolarHBondContact CD1-O 3.44Å; Y909-D930 HydrophobicContact CE2-CB 4.19Å; W928-D930 VanDerWaalsContact C-N 3.25Å; W928-D930 PolarHBondContact O-N 2.75Å; D930-T932 VanDerWaalsContact C-N 3.33Å; D930-T932 WeakPolarHBondContact OD1-CB 3.43Å; D930-T932 WeakPolarHBondContact OD1-CG2 3.46Å; D930-T932 PolarHBondContact OD1-N 2.99Å; D930-T932 PolarHBondContact OD1-OG1 3.02Å |
| 931 | G | 75.2 | Confident | 82.3 | Confident | 58 Ų | 58 | 31.2 Ų | 31.2 | 60% | 0.598 | 18% | 0.183 | S | C | * | . | S | Bend | trans | 81.7 | 6.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | W928 I929 | W928-G931 WeakPolarHBondContact O-CA 3.28Å; W928-G931 PolarHBondContact O-N 3.22Å; I929-G931 VanDerWaalsContact C-N 3.25Å |
| 932 | T | 83.1 | Confident | 81.3 | Confident | 73 Ų | 73 | 34.1 Ų | 34.1 | 45% | 0.448 | 20% | 0.195 | S | C | . | . | trans | -80.3 | 154.3 | 167.7 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | W928 D930 | W928-T932 PolarHBondContact N-O 3.05Å; D930-T932 VanDerWaalsContact C-N 3.33Å; D930-T932 WeakPolarHBondContact OD1-CB 3.43Å; D930-T932 WeakPolarHBondContact OD1-CG2 3.46Å; D930-T932 PolarHBondContact OD1-N 2.99Å; D930-T932 PolarHBondContact OD1-OG1 3.02Å | ||
| 933 | S | 87.3 | Confident | 80.6 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 40% | 0.399 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.6 | 169.9 | -52 | 0 | 0 | 0 | 0 | 109.7 | E915 I926 R927 | E915-S933 WeakPolarHBondContact OE2-CB 3.41Å; E915-S933 PolarHBondContact OE2-OG 3.39Å; I926-S933 CarbonylContact O-C 3.53Å; I926-S933 WeakPolarHBondContact O-CA 3.22Å; R927-S933 WeakPolarHBondContact CG-OG 3.47Å |
| 934 | S | 87.3 | Confident | 79.3 | Confident | 27 Ų | 27 | 38.8 Ų | 38.8 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 150 | 177.5 | 69.6 | 0 | 0 | 0 | 0 | 112.7 | I926 W928 | I926-S934 PolarHBondContact N-O 2.93Å; I926-S934 PolarHBondContact O-N 2.88Å; W928-S934 PolarHBondContact NE1-OG 3.18Å |
| 935 | E | 88.3 | Confident | 78 | Confident | 103 Ų | 103 | 40.3 Ų | 40.3 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 128.1 | 169.1 | -67.3 | 176 | -152.9 | 0 | 0 | 111.2 | Y906 I918 K923 L924 | Y906-E935 VanDerWaalsContact CE1-O 3.3Å; Y906-E935 WeakPolarHBondContact CE1-O 3.49Å; I918-E935 HydrophobicContact CD1-CG 4.15Å; K923-E935 HydrophobicContact CD-CB 3.84Å; K923-E935 HydrophobicContact CD-CG 4.44Å; K923-E935 WeakPolarHBondContact CD-OE2 3.22Å; K923-E935 IonicContact NZ-OE2 2.94Å; K923-E935 PolarHBondContact NZ-OE2 2.69Å; L924-E935 CarbonylContact O-C 3.57Å; L924-E935 WeakPolarHBondContact O-CA 2.92Å |
| 936 | V | 84.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142.2 | -177 | -174 | 0 | 0 | 0 | 0 | 109.5 | I898 Y906 K923 L924 I926 W928 D940 | I898-V936 HydrophobicContact CD1-CG1 3.73Å; I898-V936 HydrophobicContact CD1-CG2 4.12Å; I898-V936 HydrophobicContact CG1-CG1 4.33Å; Y906-V936 HydrophobicContact CD1-CB 4.47Å; Y906-V936 HydrophobicContact CD1-CG2 3.79Å; Y906-V936 HydrophobicContact CD2-CG1 4.26Å; Y906-V936 HydrophobicContact CE1-CB 4.28Å; Y906-V936 HydrophobicContact CE1-CG1 4.26Å; Y906-V936 HydrophobicContact CE1-CG2 4.09Å; Y906-V936 HydrophobicContact CE2-CG1 3.91Å; Y906-V936 HydrophobicContact CG-CG2 4Å; K923-V936 WeakPolarHBondContact CA-O 3.48Å; L924-V936 PolarHBondContact N-O 3.35Å; L924-V936 PolarHBondContact O-N 3.31Å; I926-V936 HydrophobicContact CB-CG2 4.41Å; I926-V936 HydrophobicContact CD1-CB 4.02Å; I926-V936 HydrophobicContact CD1-CG1 4.31Å; I926-V936 HydrophobicContact CD1-CG2 3.9Å; I926-V936 HydrophobicContact CG1-CB 4.48Å; I926-V936 HydrophobicContact CG1-CG2 4.18Å; W928-V936 HydrophobicContact CZ2-CG2 4.05Å; V936-D940 HydrophobicContact CG1-CB 4.16Å |
| 937 | Y | 78.9 | Confident | 74.3 | Confident | 71 Ų | 71 | 45.5 Ų | 45.5 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 137.7 | 171.2 | -67.2 | -72.9 | 0 | 0 | 0 | 110.7 | K923 T939 D940 | K923-Y937 HydrophobicContact CD-CE1 4.32Å; K923-Y937 HydrophobicContact CG-CD1 3.99Å; K923-Y937 HydrophobicContact CG-CE1 4.01Å; Y937-T939 PolarHBondContact O-N 3.04Å; Y937-T939 VanDerWaalsContact O-N 3.07Å; Y937-D940 WeakPolarHBondContact O-CB 3.47Å; Y937-D940 PolarHBondContact O-N 2.91Å |
| 938 | R | 80.2 | Confident | 72.2 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -57.4 | -27.9 | -178.2 | -163.1 | 170.4 | -165.9 | 137.3 | 2.7 | 113.5 | G783 M868 Y888 L924 D940 C941 | G783-R938 PolarHBondContact O-NH1 3.13Å; M868-R938 HydrophobicContact SD-CB 4.2Å; Y888-R938 VanDerWaalsContact O-CZ 3.28Å; Y888-R938 PolarHBondContact O-NE 3.29Å; Y888-R938 PolarHBondContact O-NH2 3.47Å; L924-R938 HydrophobicContact CD1-CB 4.48Å; L924-R938 HydrophobicContact CD1-CG 4.22Å; L924-R938 HydrophobicContact CD2-CG 4.47Å; L924-R938 HydrophobicContact CG-CB 4.39Å; L924-R938 HydrophobicContact CG-CG 4.44Å; R938-D940 VanDerWaalsContact C-N 3.3Å; R938-D940 PolarHBondContact O-N 3.09Å; R938-C941 PolarHBondContact O-N 3.03Å |
| 939 | T | 74.3 | Confident | 70.2 | Confident | 33 Ų | 33 | 51.8 Ų | 51.8 | 20% | 0.202 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -70 | -20 | 175.8 | 53.9 | 0 | 0 | 0 | 0 | 115.1 | L866 M868 Y937 C941 | L866-T939 HydrophobicContact CB-CG2 3.94Å; L866-T939 WeakPolarHBondContact O-CG2 3.31Å; L866-T939 PolarHBondContact O-OG1 3.23Å; M868-T939 HydrophobicContact CG-CG2 4.07Å; M868-T939 HydrophobicContact SD-CG2 4.41Å; Y937-T939 PolarHBondContact O-N 3.04Å; Y937-T939 VanDerWaalsContact O-N 3.07Å; T939-C941 VanDerWaalsContact C-N 3.29Å |
| 940 | D | 76.8 | Confident | 68.4 | Low | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.027 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -90.6 | -4.5 | -178.3 | -59.2 | 3 | 0 | 0 | 0 | 110.6 | S865 I898 K899 Y906 V936 Y937 R938 | S865-D940 WeakPolarHBondContact CB-OD1 3.22Å; I898-D940 CarbonylContact C-O 3.58Å; I898-D940 WeakPolarHBondContact CA-O 3.49Å; K899-D940 WeakPolarHBondContact CB-O 3.27Å; K899-D940 PolarHBondContact N-O 2.89Å; Y906-D940 HydrophobicContact CE2-CB 4.26Å; Y906-D940 PolarHBondContact OH-OD2 3.07Å; V936-D940 HydrophobicContact CG1-CB 4.16Å; Y937-D940 WeakPolarHBondContact O-CB 3.47Å; Y937-D940 PolarHBondContact O-N 2.91Å; R938-D940 VanDerWaalsContact C-N 3.3Å; R938-D940 PolarHBondContact O-N 3.09Å |
| 941 | C | 77.1 | Confident | 66.5 | Low | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.02 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 139.8 | 174.5 | -54.5 | 0 | 0 | 0 | 0 | 109.6 | M890 V896 V897 R938 T939 | M890-C941 HydrophobicContact CE-CB 3.9Å; V896-C941 HydrophobicContact CG1-CB 3.6Å; V896-C941 VanDerWaalsContact CG1-SG 3.51Å; V897-C941 CarbonylContact O-C 3.53Å; V897-C941 WeakPolarHBondContact O-CA 3.12Å; R938-C941 PolarHBondContact O-N 3.03Å; T939-C941 VanDerWaalsContact C-N 3.29Å |
| 942 | L | 62.8 | Low | 64.3 | Low | 94 Ų | 94 | 57.4 Ų | 57.4 | 49% | 0.492 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | -57.2 | -179.9 | -73.3 | 170.5 | 0 | 0 | 0 | 111.3 | V897 K899 | V897-L942 HydrophobicContact CG1-CD1 4.2Å; V897-L942 PolarHBondContact O-N 3.23Å; K899-L942 HydrophobicContact CB-CD2 3.76Å; K899-L942 HydrophobicContact CB-CG 3.88Å; K899-L942 HydrophobicContact CD-CD2 4.07Å; K899-L942 HydrophobicContact CG-CD2 3.81Å; K899-L942 HydrophobicContact CG-CG 4.45Å |
| 943 | Q | 64.8 | Low | 61.7 | Low | 133 Ų | 133 | 60.3 Ų | 60.3 | 62% | 0.621 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 166.5 | 175.3 | -156.5 | 170.2 | -24 | 0 | 0 | 108.1 | V897 | V897-Q943 PolarHBondContact N-O 3.04Å |
| 944 | A | 58.7 | Low | 59 | Low | 14 Ų | 14 | 68.2 Ų | 68.2 | 12% | 0.116 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 152.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | D894 I895 | D894-A944 HydrophobicContact CB-CB 3.91Å; D894-A944 WeakPolarHBondContact OD2-CB 3.41Å; I895-A944 CarbonylContact O-C 3.51Å; I895-A944 WeakPolarHBondContact O-CA 3.32Å |
| 945 | I | 62.3 | Low | 56.3 | Low | 31 Ų | 31 | 73.9 Ų | 73.9 | 16% | 0.159 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 113 | 164.7 | -57.5 | 164.6 | 0 | 0 | 0 | 106.9 | Y142 L149 F336 I895 V897 A947 | Y142-I945 HydrophobicContact CE1-CG2 3.79Å; Y142-I945 WeakPolarHBondContact OH-CG2 3.01Å; L149-I945 HydrophobicContact CD2-CD1 3.82Å; F336-I945 HydrophobicContact CE2-CD1 3.68Å; F336-I945 HydrophobicContact CZ-CD1 3.81Å; I895-I945 HydrophobicContact CB-CB 4.41Å; I895-I945 HydrophobicContact CG2-CD1 4.01Å; I895-I945 PolarHBondContact O-N 3.33Å; V897-I945 HydrophobicContact CG2-CD1 3.53Å; V897-I945 HydrophobicContact CG2-CG1 3.89Å; I945-A947 PolarHBondContact O-N 2.79Å; I945-A947 VanDerWaalsContact O-N 3.17Å |
| 946 | D | 54.5 | Low | 53.4 | Low | 92 Ų | 92 | 77.4 Ų | 77.4 | 49% | 0.492 | 40% | 0.403 | S | S | . | . | trans | -56.3 | 118.8 | 173.9 | -47.1 | -37.1 | 0 | 0 | 0 | 109.1 | Y142 | Y142-D946 PolarHBondContact OH-O 3.49Š| ||
| 947 | A | 45.2 | Very low | 50.8 | Low | 43 Ų | 43 | 82.5 Ų | 82.5 | 36% | 0.355 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -76 | -35.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I945 D949 | I945-A947 PolarHBondContact O-N 2.79Å; I945-A947 VanDerWaalsContact O-N 3.17Å; A947-D949 PolarHBondContact O-N 3.24Å |
| 948 | D | 43.3 | Very low | 48.5 | Very low | 128 Ų | 128 | 88.5 Ų | 88.5 | 68% | 0.684 | 47% | 0.467 | S | S | * | . | trans | -75.2 | 10.5 | -165 | -43.4 | -51 | 0 | 0 | 0 | 114.9 | D950 | D948-D950 PolarHBondContact O-N 2.84Š| ||
| 949 | D | 40.8 | Very low | 46.1 | Very low | 38 Ų | 38 | 96.2 Ų | 96.2 | 20% | 0.203 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 37.2 | -174.2 | -157.1 | 49.5 | 0 | 0 | 0 | 112.6 | R151 A947 K1170 | R151-D949 IonicContact NH1-OD2 3.51Å; R151-D949 PolarHBondContact NH2-O 2.89Å; A947-D949 PolarHBondContact O-N 3.24Å; D949-K1170 WeakPolarHBondContact OD1-CD 3.42Å; D949-K1170 WeakPolarHBondContact OD1-CE 3.21Å; D949-K1170 IonicContact OD1-NZ 3.21Å; D949-K1170 PolarHBondContact OD1-NZ 2.88Å; D949-K1170 WeakPolarHBondContact OD2-CD 3.31Å; D949-K1170 IonicContact OD2-NZ 2.71Å; D949-K1170 PolarHBondContact OD2-NZ 3.37Å |
| 950 | D | 37.6 | Very low | 44 | Very low | 75 Ų | 75 | 100.1 Ų | 100.1 | 40% | 0.401 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.2 | 9.6 | -176.3 | -107.9 | -22.7 | 0 | 0 | 0 | 113.2 | R151 D948 T952 | R151-D950 IonicContact CZ-OD2 3.81Å; R151-D950 IonicContact NE-OD2 3.01Å; R151-D950 PolarHBondContact NE-OD2 2.95Å; R151-D950 IonicContact NH2-OD1 3.52Å; R151-D950 PolarHBondContact NH2-OD1 3.39Å; R151-D950 IonicContact NH2-OD2 3.71Å; R151-D950 PolarHBondContact NH2-OD2 3.47Å; D948-D950 PolarHBondContact O-N 2.84Å; D950-T952 PolarHBondContact O-N 2.85Å |
| 951 | S | 32.9 | Very low | 41.7 | Very low | 79 Ų | 79 | 108.6 Ų | 108.6 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | trans | -69.6 | 83.5 | -175.8 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | L1167 | S951-L1167 WeakPolarHBondContact OG-CD2 3.38Š| ||
| 952 | T | 28.5 | Very low | 39.3 | Very low | 97 Ų | 97 | 117 Ų | 117 | 60% | 0.595 | 61% | 0.613 | S | S | * | * | trans | -98.4 | 128.2 | 169.7 | 57.1 | 0 | 0 | 0 | 0 | 112 | D950 | D950-T952 PolarHBondContact O-N 2.85Š| ||
| 953 | D | 29.2 | Very low | 37.8 | Very low | 135 Ų | 135 | 117.8 Ų | 117.8 | 72% | 0.722 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 70.3 | 145.7 | 170.2 | -52.9 | -32.5 | 0 | 0 | 0 | 116.4 | ||
| 954 | Y | 31.4 | Very low | 36.1 | Very low | 222 Ų | 222 | 118.6 Ų | 118.6 | 87% | 0.871 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 85.7 | 121 | 179 | -55.5 | -76.6 | 0 | 0 | 0 | 119.3 | ||
| 955 | E | 29.5 | Very low | 35 | Very low | 147 Ų | 147 | 123.2 Ų | 123.2 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | trans | 78.9 | 48 | 158.7 | -58.6 | -167.2 | -164.6 | 0 | 0 | 121.5 | K9 | K9-E955 IonicContact NZ-OE1 2.67Å; K9-E955 PolarHBondContact NZ-OE1 2.64Å; K9-E955 IonicContact NZ-OE2 3.5Å; K9-E955 PolarHBondContact NZ-OE2 2.69Å | ||
| 956 | D | 28.9 | Very low | 33.5 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 95% | 0.947 | 70% | 0.698 | S | S | * | * | trans | -94.6 | 86.2 | 143.3 | -85.9 | -43.4 | 0 | 0 | 0 | 109.8 | ||||
| 957 | S | 30.2 | Very low | 32.5 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | -155.9 | 28.1 | -177 | -178 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 958 | F | 28.7 | Very low | 32 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -153.4 | 71.4 | -175.1 | -149.3 | -86.1 | 0 | 0 | 0 | 113.7 | ||||
| 959 | D | 30.6 | Very low | 31.3 | Very low | 169 Ų | 169 | 141.5 Ų | 141.5 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | trans | -169.8 | 69.2 | 160.5 | -103.6 | -19.6 | 0 | 0 | 0 | 111 | ||||
| 960 | S | 29.5 | Very low | 30.9 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -152.8 | 24.9 | 178.8 | 77.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 961 | E | 29.4 | Very low | 30.5 | Very low | 183 Ų | 183 | 152.4 Ų | 152.4 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -132.1 | 68.9 | 174.9 | -71.8 | -164.7 | 163.9 | 0 | 0 | 112.6 | ||||
| 962 | F | 27.1 | Very low | 30.3 | Very low | 179 Ų | 179 | 157.8 Ų | 157.8 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -150.3 | 92.6 | 154.4 | -112.9 | -77.7 | 0 | 0 | 0 | 109.5 | ||||
| 963 | S | 31.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 165.3 Ų | 165.3 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -155.7 | 94.5 | 173.1 | 176.7 | 0 | 0 | 0 | 0 | 108.8 | S965 | S963-S965 PolarHBondContact O-N 3.16Š| ||
| 964 | D | 29.3 | Very low | 30.1 | Very low | 150 Ų | 150 | 167.1 Ų | 167.1 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | trans | -63.7 | 132.5 | 173.4 | -70.3 | -51.4 | 0 | 0 | 0 | 111.1 | ||||
| 965 | S | 34.1 | Very low | 29.9 | Very low | 112 Ų | 112 | 162.2 Ų | 162.2 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -154.6 | 118.7 | 162.1 | 65.4 | 0 | 0 | 0 | 0 | 110 | S963 | S963-S965 PolarHBondContact O-N 3.16Š| ||
| 966 | D | 31.5 | Very low | 29.8 | Very low | 154 Ų | 154 | 164.7 Ų | 164.7 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -69.7 | 159.5 | -177.6 | -67.7 | -71.5 | 0 | 0 | 0 | 114.8 | ||||
| 967 | D | 32.6 | Very low | 29.6 | Very low | 152 Ų | 152 | 160.7 Ų | 160.7 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | 82 | 157.1 | 148 | -96 | -37.5 | 0 | 0 | 0 | 122.9 | ||||
| 968 | E | 35.4 | Very low | 29.5 | Very low | 174 Ų | 174 | 162.3 Ų | 162.3 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | 64.1 | 63.6 | 167.4 | -56 | -130.6 | 127.3 | 0 | 0 | 120.1 | ||||
| 969 | K | 29.1 | Very low | 29.4 | Very low | 198 Ų | 198 | 158.8 Ų | 158.8 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | 20.1 | 117.7 | 127.1 | -61.5 | 166.4 | -175.3 | 156.3 | 0 | 117.8 | |||||
| 970 | T | 32.2 | Very low | 29.4 | Very low | 147 Ų | 147 | 156 Ų | 156 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -150.6 | 142.8 | 131 | -9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 971 | E | 28.7 | Very low | 29.1 | Very low | 194 Ų | 194 | 160 Ų | 160 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -77.4 | 141.5 | -172.6 | -55.6 | 159 | 154.8 | 0 | 0 | 111.6 | ||||
| 972 | K | 29.1 | Very low | 29 | Very low | 193 Ų | 193 | 156.8 Ų | 156.8 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | 176.2 | 65.6 | 127.1 | -161.9 | 166.4 | -171.2 | 171.2 | 0 | 114 | |||||
| 973 | W | 26.1 | Very low | 29 | Very low | 254 Ų | 254 | 154.1 Ų | 154.1 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | trans | -132 | 103.2 | 166.2 | -76.9 | 97.2 | 0 | 0 | 0 | 110.4 | ||||
| 974 | E | 27.1 | Very low | 28.7 | Very low | 173 Ų | 173 | 153.9 Ų | 153.9 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | trans | -141.3 | 126.3 | 172.8 | -82.4 | -163.7 | 147 | 0 | 0 | 110.5 | ||||
| 975 | L | 26.5 | Very low | 28.5 | Very low | 119 Ų | 119 | 153.6 Ų | 153.6 | 62% | 0.623 | 83% | 0.828 | S | S | * | * | trans | 60.9 | 139.9 | 150.4 | -52.2 | 162.6 | 0 | 0 | 0 | 116.7 | ||||
| 976 | Y | 27.7 | Very low | 28.3 | Very low | 199 Ų | 199 | 152.2 Ų | 152.2 | 78% | 0.78 | 82% | 0.818 | S | S | * | * | cis | -142.1 | 137.1 | 24.1 | -78.9 | -87.2 | 0 | 0 | 0 | 109.1 | ||||
| 977 | S | 25.9 | Very low | 28 | Very low | 93 Ų | 93 | 148.3 Ų | 148.3 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | 64.3 | 125.9 | 82.4 | -49.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 978 | T | 28.4 | Very low | 27.8 | Very low | 142 Ų | 142 | 151.5 Ų | 151.5 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | trans | -36.2 | 134.3 | 174.3 | 51.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 979 | S | 24.6 | Very low | 27.4 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -157.3 | 143.1 | 142 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 980 | S | 31.4 | Very low | 27.3 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -97.1 | 128.1 | 171.2 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 981 | E | 23.8 | Very low | 26.9 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -156.7 | 148.6 | 153 | -126.3 | 174.3 | -135.3 | 0 | 0 | 113.6 | ||||
| 982 | S | 27.8 | Very low | 26.9 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -92.5 | 120.7 | -178.2 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 983 | S | 25.9 | Very low | 26.7 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -110.8 | 113.3 | 171.5 | 61.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 984 | S | 25.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -94.7 | 115.3 | -178.5 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | S986 | S984-S986 PolarHBondContact O-N 2.94Š| ||
| 985 | C | 25.6 | Very low | 26.5 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 97% | 0.966 | 78% | 0.781 | S | S | * | * | trans | -81.7 | 98.9 | 162.7 | -84.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 986 | S | 28.7 | Very low | 26.4 | Very low | 83 Ų | 83 | 124 Ų | 124 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | trans | -142.9 | 145.1 | 169.1 | 79.5 | 0 | 0 | 0 | 0 | 112.5 | S984 | S984-S986 PolarHBondContact O-N 2.94Š| ||
| 987 | S | 26.1 | Very low | 26.3 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 51% | 0.51 | 78% | 0.781 | S | S | . | * | trans | 59.4 | 109.8 | 177 | 44 | 0 | 0 | 0 | 0 | 118 | ||||
| 988 | F | 27.6 | Very low | 26.3 | Very low | 218 Ų | 218 | 119.8 Ų | 119.8 | 96% | 0.956 | 79% | 0.785 | S | S | * | * | -95.1 | 139.4 | 125.2 | -95.2 | -85.4 | 0 | 0 | 0 | 108.4 | |||||
| 989 | C | 26.2 | Very low | 26.2 | Very low | 87 Ų | 87 | 117.3 Ų | 117.3 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | trans | -140.7 | 154.8 | -179.9 | -92.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 990 | S | 27.3 | Very low | 26.3 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 54.6 | 115.1 | 156.6 | 50.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 991 | T | 24.5 | Very low | 26 | Very low | 156 Ų | 156 | 117.9 Ų | 117.9 | 96% | 0.957 | 76% | 0.761 | S | S | * | * | -136.1 | 136.2 | 126.6 | -28 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 992 | S | 28.9 | Very low | 26.2 | Very low | 119 Ų | 119 | 117.4 Ų | 117.4 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -122.6 | 126.9 | -175.3 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 993 | G | 24.8 | Very low | 26.1 | Very low | 80 Ų | 80 | 116.2 Ų | 116.2 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -143.1 | 120.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 994 | S | 26.8 | Very low | 26.2 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | -70.2 | 154.9 | 170 | 50.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 995 | C | 22.9 | Very low | 26.3 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | -165 | 164.8 | 70.2 | -86.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 996 | S | 24.1 | Very low | 26.4 | Very low | 102 Ų | 102 | 113.9 Ų | 113.9 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -26.7 | 153.4 | 148.8 | 45.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 997 | S | 25.3 | Very low | 26.4 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | cis | -175.1 | 179.9 | 1.2 | 45.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 998 | S | 25.6 | Very low | 26.5 | Very low | 105 Ų | 105 | 118.8 Ų | 118.8 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | trans | 67.5 | 149.4 | 150.1 | 41.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 999 | S | 25.8 | Very low | 26.5 | Very low | 90 Ų | 90 | 114 Ų | 114 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | cis | 179.6 | 162.9 | -16.8 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1000 | L | 26.5 | Very low | 26.6 | Very low | 150 Ų | 150 | 116.4 Ų | 116.4 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 67.1 | 152.7 | 154.5 | -65.8 | 163.6 | 0 | 0 | 0 | 116.8 | ||||
| 1001 | T | 26.4 | Very low | 26.5 | Very low | 97 Ų | 97 | 118 Ų | 118 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | cis | -169.8 | 161.1 | -36.1 | 17.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1002 | K | 26.7 | Very low | 26.6 | Very low | 189 Ų | 189 | 116.1 Ų | 116.1 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | 69.2 | 156.8 | 147 | -76.1 | 166.3 | -177.1 | -179.3 | 0 | 116.8 | ||||
| 1003 | S | 27.5 | Very low | 26.4 | Very low | 91 Ų | 91 | 115 Ų | 115 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | cis | -165.7 | -179.3 | -13.9 | 46.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1004 | S | 27.1 | Very low | 26.3 | Very low | 81 Ų | 81 | 117 Ų | 117 | 57% | 0.566 | 72% | 0.718 | S | S | * | * | trans | 63.2 | 109.1 | 141 | 54.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1005 | D | 27.2 | Very low | 26.1 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | 91.5 | 148.6 | 85.3 | -66.8 | -34.8 | 0 | 0 | 0 | 110.6 | |||||
| 1006 | S | 28.6 | Very low | 26.4 | Very low | 85 Ų | 85 | 118.7 Ų | 118.7 | 59% | 0.594 | 70% | 0.702 | S | S | * | * | cis | -170.9 | 160.6 | -9.8 | 49.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1007 | N | 28.6 | Very low | 26.4 | Very low | 143 Ų | 143 | 119 Ų | 119 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | trans | 68 | 158.9 | 158.6 | -58.8 | -4.1 | 0 | 0 | 0 | 116 | ||||
| 1008 | N | 28.5 | Very low | 26.6 | Very low | 116 Ų | 116 | 117.5 Ų | 117.5 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | cis | -155.7 | 165.7 | -5.4 | -125.7 | 33.5 | 0 | 0 | 0 | 111.4 | ||||
| 1009 | D | 28.2 | Very low | 26.5 | Very low | 119 Ų | 119 | 119.2 Ų | 119.2 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | trans | 64.5 | 127.1 | 145.1 | -56.1 | -22.1 | 0 | 0 | 0 | 124.8 | ||||
| 1010 | N | 27.2 | Very low | 26.7 | Very low | 137 Ų | 137 | 117 Ų | 117 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | trans | 81.1 | 121.8 | 137.7 | -60.8 | -7.7 | 0 | 0 | 0 | 124 | ||||
| 1011 | D | 25.7 | Very low | 27 | Very low | 141 Ų | 141 | 110.2 Ų | 110.2 | 75% | 0.754 | 63% | 0.627 | S | S | * | * | trans | 62.4 | 106.8 | 136.3 | -61.4 | -26 | 0 | 0 | 0 | 123.1 | ||||
| 1012 | S | 25.7 | Very low | 27.1 | Very low | 117 Ų | 117 | 108.5 Ų | 108.5 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | 82.3 | 135 | 142.1 | 78.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1013 | A | 24.4 | Very low | 27.4 | Very low | 96 Ų | 96 | 102.3 Ų | 102.3 | 79% | 0.793 | 58% | 0.584 | S | S | * | * | trans | 67.9 | 150.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1014 | C | 22.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 100.1 Ų | 100.1 | 83% | 0.831 | 57% | 0.565 | S | S | * | * | trans | 70.3 | 146.6 | 167.9 | -72.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 1015 | L | 23.6 | Very low | 28.2 | Very low | 158 Ų | 158 | 100.6 Ų | 100.6 | 83% | 0.827 | 56% | 0.562 | S | S | * | * | trans | 64.4 | 117.3 | 171.3 | -56.8 | 172.2 | 0 | 0 | 0 | 115.9 | ||||
| 1016 | R | 28.5 | Very low | 28.7 | Very low | 98 Ų | 98 | 95.7 Ų | 95.7 | 37% | 0.37 | 54% | 0.535 | S | S | . | . | cis | 80.8 | 142.8 | 43.5 | -60.1 | -152.6 | 174.1 | -175.8 | 2 | 114.5 | E1266 L1268 | R1016-E1266 PolarHBondContact NH2-O 3.06Å; R1016-L1268 HydrophobicContact CB-CD1 4.34Å; R1016-L1268 HydrophobicContact CB-CD2 4.41Å; R1016-L1268 HydrophobicContact CB-CG 4.02Å; R1016-L1268 HydrophobicContact CG-CD1 3.99Å; R1016-L1268 HydrophobicContact CG-CG 3.76Å | ||
| 1017 | V | 24.9 | Very low | 29.3 | Very low | 108 Ų | 108 | 97.1 Ų | 97.1 | 66% | 0.655 | 53% | 0.527 | S | S | * | . | trans | 74.4 | 145.2 | 178.9 | -170.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1018 | M | 28.9 | Very low | 29.8 | Very low | 68 Ų | 68 | 93.7 Ų | 93.7 | 34% | 0.335 | 51% | 0.513 | S | S | . | . | -174.4 | 145.8 | -57.4 | -116.3 | -146.7 | 178.5 | 0 | 0 | 108.1 | P1020 L1268 S1270 | M1018-P1020 HydrophobicContact CE-CG 3.57Å; M1018-P1020 HydrophobicContact CG-CG 4.1Å; M1018-P1020 WeakPolarHBondContact SD-CD 2.99Å; M1018-P1020 HydrophobicContact SD-CG 3.46Å; M1018-P1020 WeakPolarHBondContact SD-CG 3.45Å; M1018-L1268 HydrophobicContact CE-CD2 4.48Å; M1018-L1268 WeakPolarHBondContact CE-O 3.03Å; M1018-L1268 HydrophobicContact CG-CD2 3.98Å; M1018-S1270 WeakPolarHBondContact CB-OG 3.39Å; M1018-S1270 PolarHBondContact SD-N 3.32Å; M1018-S1270 PolarHBondContact SD-OG 3.37Å | |||
| 1019 | Q | 24.7 | Very low | 30.5 | Very low | 140 Ų | 140 | 91.5 Ų | 91.5 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | trans | -156.7 | 52.7 | 141.6 | -132.4 | -178.5 | 22.3 | 0 | 0 | 115.6 | T1021 Y1272 | Q1019-T1021 HydrophobicContact CG-CG2 4.15Å; Q1019-Y1272 PolarHBondContact NE2-OH 3.03Å | ||
| 1020 | P | 28.6 | Very low | 31.3 | Very low | 45 Ų | 45 | 88 Ų | 88 | 29% | 0.292 | 50% | 0.495 | S | S | . | . | trans | -72.4 | 126.8 | 154.1 | 38.2 | -33.1 | 0 | 0 | 0 | 106.9 | R498 M1018 | R498-P1020 HydrophobicContact CG-CB 4.2Å; R498-P1020 VanDerWaalsContact CZ-C 3.46Å; R498-P1020 PolarHBondContact NE-O 3.45Å; R498-P1020 VanDerWaalsContact NH2-C 3.33Å; R498-P1020 PolarHBondContact NH2-O 3.26Å; M1018-P1020 HydrophobicContact CE-CG 3.57Å; M1018-P1020 HydrophobicContact CG-CG 4.1Å; M1018-P1020 WeakPolarHBondContact SD-CD 2.99Å; M1018-P1020 HydrophobicContact SD-CG 3.46Å; M1018-P1020 WeakPolarHBondContact SD-CG 3.45Å | ||
| 1021 | T | 32.2 | Very low | 32.3 | Very low | 7 Ų | 7 | 85.9 Ų | 85.9 | 4% | 0.043 | 48% | 0.483 | C | S | . | . | trans | -107.3 | 136.5 | -170 | 73.1 | 0 | 0 | 0 | 0 | 114.9 | D496 P497 R498 Q1019 E1023 | D496-T1021 VanDerWaalsContact OD1-CB 3.3Å; D496-T1021 WeakPolarHBondContact OD1-CB 3.44Å; D496-T1021 PolarHBondContact OD1-OG1 2.84Å; P497-T1021 VanDerWaalsContact CA-OG1 3.24Å; P497-T1021 WeakPolarHBondContact CA-OG1 3.43Å; P497-T1021 HydrophobicContact CB-CG2 3.78Å; P497-T1021 WeakPolarHBondContact CB-OG1 3.24Å; P497-T1021 WeakPolarHBondContact CD-OG1 3.4Å; P497-T1021 HydrophobicContact CG-CG2 3.97Å; P497-T1021 VanDerWaalsContact N-OG1 3.12Å; R498-T1021 WeakPolarHBondContact CB-O 3.39Å; R498-T1021 WeakPolarHBondContact CB-OG1 3.49Å; R498-T1021 WeakPolarHBondContact CD-O 3.33Å; R498-T1021 WeakPolarHBondContact CG-O 3.22Å; R498-T1021 PolarHBondContact N-OG1 2.82Å; R498-T1021 VanDerWaalsContact NE-C 3.32Å; R498-T1021 PolarHBondContact NE-O 2.88Å; R498-T1021 PolarHBondContact NH1-O 3.06Å; Q1019-T1021 HydrophobicContact CG-CG2 4.15Å; T1021-E1023 PolarHBondContact O-N 2.8Å | ||
| 1022 | Y | 29 | Very low | 33.3 | Very low | 60 Ų | 60 | 84.5 Ų | 84.5 | 24% | 0.235 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 18.2 | -73.5 | 168.3 | -74.2 | -81.6 | 0 | 0 | 0 | 120.5 | D496 R498 D1024 D1025 L1026 Y1272 T1273 | D496-Y1022 VanDerWaalsContact CG-CB 3.46Å; D496-Y1022 WeakPolarHBondContact OD1-CB 3.41Å; D496-Y1022 PolarHBondContact OD1-N 2.86Å; D496-Y1022 WeakPolarHBondContact OD2-CB 3.43Å; R498-Y1022 VanDerWaalsContact NH1-CA 3.34Å; R498-Y1022 PolarHBondContact NH1-O 2.95Å; Y1022-D1024 PolarHBondContact O-N 3.48Å; Y1022-D1025 PolarHBondContact O-N 3.35Å; Y1022-L1026 HydrophobicContact CD1-CD1 3.91Å; Y1022-L1026 HydrophobicContact CD1-CG 4.46Å; Y1022-L1026 VanDerWaalsContact O-CB 3.32Å; Y1022-L1026 WeakPolarHBondContact O-CB 3.19Å; Y1022-L1026 VanDerWaalsContact O-CG 3.23Å; Y1022-L1026 WeakPolarHBondContact O-CG 3.35Å; Y1022-L1026 PolarHBondContact O-N 2.71Å; Y1022-Y1272 HydrophobicContact CD1-CG 4.37Å; Y1022-Y1272 AromaticContact CD2-CD1 3.82Å; Y1022-Y1272 HydrophobicContact CD2-CD1 3.82Å; Y1022-Y1272 HydrophobicContact CD2-CD2 4.02Å; Y1022-Y1272 HydrophobicContact CD2-CE1 4.46Å; Y1022-Y1272 AromaticContact CD2-CG 3.61Å; Y1022-Y1272 HydrophobicContact CD2-CG 3.61Å; Y1022-Y1272 HydrophobicContact CE1-CD1 4.48Å; Y1022-Y1272 HydrophobicContact CE1-CG 4.23Å; Y1022-Y1272 AromaticContact CE2-CD1 3.18Å; Y1022-Y1272 HydrophobicContact CE2-CD1 3.18Å; Y1022-Y1272 HydrophobicContact CE2-CD2 4.23Å; Y1022-Y1272 AromaticContact CE2-CE1 3.91Å; Y1022-Y1272 HydrophobicContact CE2-CE1 3.91Å; Y1022-Y1272 AromaticContact CE2-CG 3.41Å; Y1022-Y1272 HydrophobicContact CE2-CG 3.41Å; Y1022-Y1272 VanDerWaalsContact CE2-CG 3.41Å; Y1022-Y1272 HydrophobicContact CG-CD2 4.48Å; Y1022-Y1272 HydrophobicContact CG-CG 4.1Å; Y1022-Y1272 AromaticContact CZ-CD1 3.58Å; Y1022-Y1272 AromaticContact CZ-CG 3.75Å; Y1022-T1273 VanDerWaalsContact CE1-C 3.47Å; Y1022-T1273 VanDerWaalsContact CE1-O 3.26Å; Y1022-T1273 WeakPolarHBondContact CE1-O 3.48Å; Y1022-T1273 PolarHBondContact OH-N 3.36Å; Y1022-T1273 PolarHBondContact OH-O 3.44Å; Y1022-T1273 PolarHBondContact OH-OG1 3.22Å |
| 1023 | E | 32.6 | Very low | 34.2 | Very low | 60 Ų | 60 | 84.1 Ų | 84.1 | 28% | 0.28 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -51.7 | -53.3 | -164.8 | -105.6 | 172.6 | -144.9 | 0 | 0 | 115.6 | V495 D496 T1021 D1025 L1026 R1027 | V495-E1023 HydrophobicContact CG1-CG 4.35Å; D496-E1023 HydrophobicContact CB-CB 3.5Å; D496-E1023 HydrophobicContact CB-CG 3.38Å; D496-E1023 WeakPolarHBondContact CB-OE1 3.49Å; D496-E1023 VanDerWaalsContact CG-N 3.3Å; D496-E1023 PolarHBondContact N-OE1 2.81Å; D496-E1023 PolarHBondContact OD1-N 3.43Å; T1021-E1023 PolarHBondContact O-N 2.8Å; E1023-D1025 VanDerWaalsContact C-N 3.31Å; E1023-D1025 PolarHBondContact O-N 3.45Å; E1023-L1026 CarbonylContact O-C 3.55Å; E1023-L1026 PolarHBondContact O-N 2.82Å; E1023-L1026 VanDerWaalsContact O-N 3.17Å; E1023-R1027 WeakPolarHBondContact O-CB 3.39Å; E1023-R1027 PolarHBondContact O-N 3.18Å |
| 1024 | D | 37.2 | Very low | 35.3 | Very low | 44 Ų | 44 | 83 Ų | 83 | 24% | 0.235 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -74.9 | -18.3 | -167.7 | -37.6 | 5.8 | 0 | 0 | 0 | 113.8 | R498 H499 Y1022 P1028 | R498-D1024 HydrophobicContact CB-CB 4.4Å; R498-D1024 VanDerWaalsContact CB-OD1 3.28Å; R498-D1024 WeakPolarHBondContact CB-OD1 3.17Å; R498-D1024 HydrophobicContact CG-CB 3.89Å; R498-D1024 VanDerWaalsContact CG-CG 3.42Å; R498-D1024 WeakPolarHBondContact CG-OD2 3.48Å; H499-D1024 IonicContact CD2-OD1 3.43Å; H499-D1024 IonicContact CE1-OD1 3.99Å; H499-D1024 PolarHBondContact CE1-OD1 3Å; H499-D1024 IonicContact CE1-OD2 2.72Å; H499-D1024 PolarHBondContact CE1-OD2 3.03Å; H499-D1024 VanDerWaalsContact CE1-OD2 3.22Å; H499-D1024 IonicContact CG-OD1 2.69Å; H499-D1024 IonicContact CG-OD2 3.33Å; H499-D1024 PolarHBondContact N-OD1 3.38Å; H499-D1024 PolarHBondContact N-OD2 3.48Å; H499-D1024 IonicContact ND1-OD1 3.37Å; H499-D1024 PolarHBondContact ND1-OD1 2.85Å; H499-D1024 IonicContact ND1-OD2 3.21Å; H499-D1024 PolarHBondContact ND1-OD2 2.75Å; H499-D1024 IonicContact NE2-OD1 3.48Å; Y1022-D1024 PolarHBondContact O-N 3.48Å; D1024-P1028 WeakPolarHBondContact O-CD 3.44Å |
| 1025 | D | 35.4 | Very low | 36.5 | Very low | 92 Ų | 92 | 79.7 Ų | 79.7 | 49% | 0.492 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -94.7 | -23.6 | 171.4 | -51.3 | 1.1 | 0 | 0 | 0 | 110.6 | R498 Y1022 E1023 P1028 | R498-D1025 IonicContact CZ-OD1 3.6Å; R498-D1025 IonicContact CZ-OD2 3.92Å; R498-D1025 IonicContact NE-OD1 3.28Å; R498-D1025 PolarHBondContact NE-OD1 2.72Å; R498-D1025 IonicContact NE-OD2 3.8Å; R498-D1025 IonicContact NH1-OD1 3.03Å; R498-D1025 PolarHBondContact NH1-OD1 2.83Å; R498-D1025 IonicContact NH1-OD2 3.25Å; R498-D1025 PolarHBondContact NH1-OD2 3Å; R498-D1025 IonicContact NH2-OD1 3.84Å; R498-D1025 IonicContact NH2-OD2 2.67Å; R498-D1025 PolarHBondContact NH2-OD2 2.71Å; Y1022-D1025 PolarHBondContact O-N 3.35Å; E1023-D1025 VanDerWaalsContact C-N 3.31Å; E1023-D1025 PolarHBondContact O-N 3.45Å; D1025-P1028 WeakPolarHBondContact O-CD 3.49Å |
| 1026 | L | 37.5 | Very low | 37.6 | Very low | 53 Ų | 53 | 73.5 Ų | 73.5 | 28% | 0.277 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -76.7 | -29 | 170 | -72.3 | -167.7 | 0 | 0 | 0 | 112.7 | Y1022 E1023 V1029 G1030 I1274 | Y1022-L1026 HydrophobicContact CD1-CD1 3.91Å; Y1022-L1026 HydrophobicContact CD1-CG 4.46Å; Y1022-L1026 VanDerWaalsContact O-CB 3.32Å; Y1022-L1026 WeakPolarHBondContact O-CB 3.19Å; Y1022-L1026 VanDerWaalsContact O-CG 3.23Å; Y1022-L1026 WeakPolarHBondContact O-CG 3.35Å; Y1022-L1026 PolarHBondContact O-N 2.71Å; E1023-L1026 CarbonylContact O-C 3.55Å; E1023-L1026 PolarHBondContact O-N 2.82Å; E1023-L1026 VanDerWaalsContact O-N 3.17Å; L1026-V1029 CarbonylContact O-C 3.22Å; L1026-V1029 PolarHBondContact O-N 3.07Å; L1026-V1029 VanDerWaalsContact O-N 3.11Å; L1026-G1030 PolarHBondContact O-N 3.14Å; L1026-I1274 HydrophobicContact CD1-CD1 3.87Å; L1026-I1274 HydrophobicContact CD1-CG1 3.81Å; L1026-I1274 HydrophobicContact CD2-CD1 3.47Å; L1026-I1274 VanDerWaalsContact CD2-CD1 3.47Å; L1026-I1274 HydrophobicContact CD2-CG1 3.74Å; L1026-I1274 HydrophobicContact CG-CD1 4.27Å; L1026-I1274 HydrophobicContact CG-CG1 4.42Å |
| 1027 | R | 40.6 | Very low | 38.6 | Very low | 114 Ų | 114 | 72 Ų | 72 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.5 | -50 | 177.8 | -115.5 | -164.8 | -160.6 | 139.4 | 27.4 | 111.8 | H499 E1023 V1029 G1030 I1031 | H499-R1027 VanDerWaalsContact NE2-CZ 3.32Å; H499-R1027 PolarHBondContact NE2-NH1 2.82Å; H499-R1027 PolarHBondContact NE2-NH2 3.45Å; E1023-R1027 WeakPolarHBondContact O-CB 3.39Å; E1023-R1027 PolarHBondContact O-N 3.18Å; R1027-V1029 PolarHBondContact O-N 3.06Å; R1027-G1030 PolarHBondContact O-N 2.9Å; R1027-I1031 HydrophobicContact CB-CD1 4.35Å; R1027-I1031 HydrophobicContact CG-CD1 4.35Å; R1027-I1031 WeakPolarHBondContact O-CB 3.35Å; R1027-I1031 WeakPolarHBondContact O-CD1 3.44Å; R1027-I1031 WeakPolarHBondContact O-CG1 3.42Å; R1027-I1031 PolarHBondContact O-N 2.74Å |
| 1028 | P | 40.3 | Very low | 39.7 | Very low | 71 Ų | 71 | 70.4 Ų | 70.4 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -54.1 | -39.7 | 173.3 | -28.3 | 35 | 0 | 0 | 0 | 113.1 | D1024 D1025 K1032 | D1024-P1028 WeakPolarHBondContact O-CD 3.44Å; D1025-P1028 WeakPolarHBondContact O-CD 3.49Å; P1028-K1032 WeakPolarHBondContact O-CB 3.38Å; P1028-K1032 WeakPolarHBondContact O-CG 3.41Å; P1028-K1032 PolarHBondContact O-N 3.29Å |
| 1029 | V | 41.7 | Very low | 40.6 | Very low | 71 Ų | 71 | 68.7 Ų | 68.7 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -72.4 | -45.1 | 180 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | L1026 R1027 I1031 K1032 L1033 | L1026-V1029 CarbonylContact O-C 3.22Å; L1026-V1029 PolarHBondContact O-N 3.07Å; L1026-V1029 VanDerWaalsContact O-N 3.11Å; R1027-V1029 PolarHBondContact O-N 3.06Å; V1029-I1031 VanDerWaalsContact C-N 3.34Å; V1029-K1032 WeakPolarHBondContact O-CB 3.45Å; V1029-K1032 PolarHBondContact O-N 2.96Å; V1029-L1033 HydrophobicContact CG1-CD1 3.97Å; V1029-L1033 VanDerWaalsContact O-CD1 3.3Å; V1029-L1033 WeakPolarHBondContact O-CD1 3.36Å; V1029-L1033 PolarHBondContact O-N 3.44Å |
| 1030 | G | 46.5 | Very low | 41.8 | Very low | 44 Ų | 44 | 64.2 Ų | 64.2 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.5 | -33 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1026 R1027 S1034 | L1026-G1030 PolarHBondContact O-N 3.14Å; R1027-G1030 PolarHBondContact O-N 2.9Å; G1030-S1034 VanDerWaalsContact O-CB 3.24Å; G1030-S1034 WeakPolarHBondContact O-CB 3.44Å; G1030-S1034 PolarHBondContact O-N 2.77Å |
| 1031 | I | 48.2 | Very low | 42.8 | Very low | 94 Ų | 94 | 65.5 Ų | 65.5 | 48% | 0.482 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 171.1 | -71 | 165.2 | 0 | 0 | 0 | 109.9 | R1027 V1029 L1033 S1034 L1035 | R1027-I1031 HydrophobicContact CB-CD1 4.35Å; R1027-I1031 HydrophobicContact CG-CD1 4.35Å; R1027-I1031 WeakPolarHBondContact O-CB 3.35Å; R1027-I1031 WeakPolarHBondContact O-CD1 3.44Å; R1027-I1031 WeakPolarHBondContact O-CG1 3.42Å; R1027-I1031 PolarHBondContact O-N 2.74Å; V1029-I1031 VanDerWaalsContact C-N 3.34Å; I1031-L1033 PolarHBondContact O-N 2.8Å; I1031-S1034 PolarHBondContact O-N 2.87Å; I1031-L1035 HydrophobicContact CG2-CD1 3.85Å; I1031-L1035 WeakPolarHBondContact O-CB 3.06Å; I1031-L1035 PolarHBondContact O-N 2.84Å |
| 1032 | K | 45.3 | Very low | 43.5 | Very low | 111 Ų | 111 | 66.2 Ų | 66.2 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 171.7 | -83.6 | -175.4 | 175.6 | -169.5 | 0 | 111.5 | P1028 V1029 L1035 A1036 E1089 | P1028-K1032 WeakPolarHBondContact O-CB 3.38Å; P1028-K1032 WeakPolarHBondContact O-CG 3.41Å; P1028-K1032 PolarHBondContact O-N 3.29Å; V1029-K1032 WeakPolarHBondContact O-CB 3.45Å; V1029-K1032 PolarHBondContact O-N 2.96Å; K1032-L1035 PolarHBondContact O-N 3.47Å; K1032-A1036 WeakPolarHBondContact O-CB 3.01Å; K1032-A1036 PolarHBondContact O-N 3.15Å; K1032-E1089 IonicContact NZ-OE2 3.48Å; K1032-E1089 PolarHBondContact NZ-OE2 2.85Å |
| 1033 | L | 45.7 | Very low | 44.4 | Very low | 110 Ų | 110 | 64.7 Ų | 64.7 | 58% | 0.576 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 177.5 | -97.4 | 83.6 | 0 | 0 | 0 | 112.7 | V1029 I1031 A1036 S1037 | V1029-L1033 HydrophobicContact CG1-CD1 3.97Å; V1029-L1033 VanDerWaalsContact O-CD1 3.3Å; V1029-L1033 WeakPolarHBondContact O-CD1 3.36Å; V1029-L1033 PolarHBondContact O-N 3.44Å; I1031-L1033 PolarHBondContact O-N 2.8Å; L1033-A1036 PolarHBondContact O-N 3.2Å; L1033-S1037 WeakPolarHBondContact O-CB 3.39Å; L1033-S1037 PolarHBondContact O-N 2.84Å |
| 1034 | S | 48.2 | Very low | 45.2 | Very low | 71 Ų | 71 | 65.7 Ų | 65.7 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 176.8 | -175 | 0 | 0 | 0 | 0 | 111.7 | G1030 I1031 S1037 Q1038 | G1030-S1034 VanDerWaalsContact O-CB 3.24Å; G1030-S1034 WeakPolarHBondContact O-CB 3.44Å; G1030-S1034 PolarHBondContact O-N 2.77Å; I1031-S1034 PolarHBondContact O-N 2.87Å; S1034-S1037 PolarHBondContact O-N 2.94Å; S1034-Q1038 PolarHBondContact O-N 2.93Å |
| 1035 | L | 47.9 | Very low | 45.9 | Very low | 54 Ų | 54 | 71.3 Ų | 71.3 | 28% | 0.283 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.9 | -51.2 | 170.3 | -92.4 | 154.1 | 0 | 0 | 0 | 111.6 | I1031 K1032 S1037 Q1038 H1039 F1182 | I1031-L1035 HydrophobicContact CG2-CD1 3.85Å; I1031-L1035 WeakPolarHBondContact O-CB 3.06Å; I1031-L1035 PolarHBondContact O-N 2.84Å; K1032-L1035 PolarHBondContact O-N 3.47Å; L1035-S1037 VanDerWaalsContact C-N 3.31Å; L1035-S1037 PolarHBondContact O-N 2.68Å; L1035-Q1038 CarbonylContact O-C 3.59Å; L1035-Q1038 PolarHBondContact O-N 3.46Å; L1035-Q1038 VanDerWaalsContact O-N 3.13Å; L1035-H1039 WeakPolarHBondContact O-CB 3.3Å; L1035-H1039 PolarHBondContact O-CD2 3.48Å; L1035-H1039 PolarHBondContact O-N 2.83Å; L1035-F1182 HydrophobicContact CD2-CB 4.49Å; L1035-F1182 HydrophobicContact CD2-CD1 3.35Å; L1035-F1182 HydrophobicContact CD2-CE1 3.75Å; L1035-F1182 HydrophobicContact CD2-CG 4.05Å; L1035-F1182 HydrophobicContact CG-CD1 4.49Å |
| 1036 | A | 46.1 | Very low | 46.5 | Very low | 29 Ų | 29 | 67.6 Ų | 67.6 | 24% | 0.24 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1032 L1033 H1039 V1040 I1085 | K1032-A1036 WeakPolarHBondContact O-CB 3.01Å; K1032-A1036 PolarHBondContact O-N 3.15Å; L1033-A1036 PolarHBondContact O-N 3.2Å; A1036-H1039 PolarHBondContact O-N 3.33Å; A1036-V1040 WeakPolarHBondContact O-CB 3.42Å; A1036-V1040 VanDerWaalsContact O-CG2 3.3Å; A1036-V1040 WeakPolarHBondContact O-CG2 3.28Å; A1036-V1040 PolarHBondContact O-N 3.2Å; A1036-I1085 HydrophobicContact CB-CD1 4.22Å |
| 1037 | S | 48.5 | Very low | 47.1 | Very low | 67 Ų | 67 | 68 Ų | 68 | 47% | 0.469 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 175.6 | -170.5 | 0 | 0 | 0 | 0 | 112.6 | L1033 S1034 L1035 T1041 | L1033-S1037 WeakPolarHBondContact O-CB 3.39Å; L1033-S1037 PolarHBondContact O-N 2.84Å; S1034-S1037 PolarHBondContact O-N 2.94Å; L1035-S1037 VanDerWaalsContact C-N 3.31Å; L1035-S1037 PolarHBondContact O-N 2.68Å; S1037-T1041 WeakPolarHBondContact O-CB 3.44Å; S1037-T1041 PolarHBondContact O-N 3.28Å; S1037-T1041 PolarHBondContact O-OG1 2.95Å |
| 1038 | Q | 49.8 | Very low | 47.4 | Very low | 74 Ų | 74 | 66.1 Ų | 66.1 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.4 | -38.3 | 172.7 | -76.5 | -165.9 | -56.7 | 0 | 0 | 112.8 | S1034 L1035 T1041 S1042 | S1034-Q1038 PolarHBondContact O-N 2.93Å; L1035-Q1038 CarbonylContact O-C 3.59Å; L1035-Q1038 PolarHBondContact O-N 3.46Å; L1035-Q1038 VanDerWaalsContact O-N 3.13Å; Q1038-T1041 PolarHBondContact O-N 2.83Å; Q1038-S1042 WeakPolarHBondContact O-CB 3.47Å; Q1038-S1042 PolarHBondContact O-N 3.43Å; Q1038-S1042 PolarHBondContact O-OG 2.91Å |
| 1039 | H | 47.6 | Very low | 47.9 | Very low | 32 Ų | 32 | 65.9 Ų | 65.9 | 15% | 0.148 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 176.3 | -73.7 | -153.8 | 0 | 0 | 0 | 110.5 | L1035 A1036 T1041 S1042 A1043 | L1035-H1039 WeakPolarHBondContact O-CB 3.3Å; L1035-H1039 PolarHBondContact O-CD2 3.48Å; L1035-H1039 PolarHBondContact O-N 2.83Å; A1036-H1039 PolarHBondContact O-N 3.33Å; H1039-T1041 VanDerWaalsContact C-N 3.35Å; H1039-T1041 PolarHBondContact O-N 3.4Å; H1039-S1042 PolarHBondContact O-N 3.06Å; H1039-A1043 VanDerWaalsContact O-CB 3.28Å; H1039-A1043 WeakPolarHBondContact O-CB 3.39Å; H1039-A1043 PolarHBondContact O-N 3.21Å |
| 1040 | V | 48.2 | Very low | 48.2 | Very low | 46 Ų | 46 | 67.6 Ų | 67.6 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 172.7 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | A1036 A1043 H1044 L1288 | A1036-V1040 WeakPolarHBondContact O-CB 3.42Å; A1036-V1040 VanDerWaalsContact O-CG2 3.3Å; A1036-V1040 WeakPolarHBondContact O-CG2 3.28Å; A1036-V1040 PolarHBondContact O-N 3.2Å; V1040-A1043 PolarHBondContact O-N 3.14Å; V1040-H1044 VanDerWaalsContact O-CB 3.31Å; V1040-H1044 WeakPolarHBondContact O-CB 3.38Å; V1040-H1044 PolarHBondContact O-N 3.33Å; V1040-L1288 HydrophobicContact CG1-CD2 3.94Å; V1040-L1288 HydrophobicContact CG2-CD2 4.06Å |
| 1041 | T | 50.4 | Low | 48.2 | Very low | 72 Ų | 72 | 72.9 Ų | 72.9 | 44% | 0.442 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 177.7 | -52.5 | 0 | 0 | 0 | 0 | 112 | S1037 Q1038 H1039 H1044 R1045 | S1037-T1041 WeakPolarHBondContact O-CB 3.44Å; S1037-T1041 PolarHBondContact O-N 3.28Å; S1037-T1041 PolarHBondContact O-OG1 2.95Å; Q1038-T1041 PolarHBondContact O-N 2.83Å; H1039-T1041 VanDerWaalsContact C-N 3.35Å; H1039-T1041 PolarHBondContact O-N 3.4Å; T1041-H1044 PolarHBondContact O-N 3.17Å; T1041-R1045 WeakPolarHBondContact O-CG 3.34Å; T1041-R1045 PolarHBondContact O-N 3.38Å |
| 1042 | S | 47.4 | Very low | 48.3 | Very low | 21 Ų | 21 | 70.3 Ų | 70.3 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.7 | -37.9 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | Q1038 H1039 R1045 L1046 | Q1038-S1042 WeakPolarHBondContact O-CB 3.47Å; Q1038-S1042 PolarHBondContact O-N 3.43Å; Q1038-S1042 PolarHBondContact O-OG 2.91Å; H1039-S1042 PolarHBondContact O-N 3.06Å; S1042-R1045 PolarHBondContact O-N 3.27Å; S1042-L1046 PolarHBondContact O-N 3.37Å |
| 1043 | A | 47.8 | Very low | 48.7 | Very low | 28 Ų | 28 | 65.9 Ų | 65.9 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | H1039 V1040 R1045 L1046 F1047 | H1039-A1043 VanDerWaalsContact O-CB 3.28Å; H1039-A1043 WeakPolarHBondContact O-CB 3.39Å; H1039-A1043 PolarHBondContact O-N 3.21Å; V1040-A1043 PolarHBondContact O-N 3.14Å; A1043-R1045 VanDerWaalsContact C-N 3.28Å; A1043-R1045 PolarHBondContact O-N 2.75Å; A1043-L1046 CarbonylContact O-C 3.59Å; A1043-L1046 WeakPolarHBondContact O-CA 3.46Å; A1043-L1046 WeakPolarHBondContact O-CB 3.48Å; A1043-L1046 PolarHBondContact O-N 2.91Å; A1043-L1046 VanDerWaalsContact O-N 3.09Å; A1043-F1047 HydrophobicContact CB-CD2 4.27Å; A1043-F1047 HydrophobicContact CB-CE2 4.06Å; A1043-F1047 WeakPolarHBondContact O-CD2 3.21Å; A1043-F1047 WeakPolarHBondContact O-CG 3.45Å; A1043-F1047 PolarHBondContact O-N 2.87Å |
| 1044 | H | 49.5 | Very low | 49.1 | Very low | 81 Ų | 81 | 63.6 Ų | 63.6 | 38% | 0.375 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 175.6 | -169.8 | -60.7 | 0 | 0 | 0 | 111.5 | V1040 T1041 F1047 S1048 | V1040-H1044 VanDerWaalsContact O-CB 3.31Å; V1040-H1044 WeakPolarHBondContact O-CB 3.38Å; V1040-H1044 PolarHBondContact O-N 3.33Å; T1041-H1044 PolarHBondContact O-N 3.17Å; H1044-F1047 CarbonylContact O-C 3.59Å; H1044-F1047 PolarHBondContact O-N 2.98Å; H1044-S1048 PolarHBondContact ND1-OG 3.29Å; H1044-S1048 PolarHBondContact O-N 3.38Å; H1044-S1048 PolarHBondContact O-OG 3.13Å |
| 1045 | R | 51.5 | Low | 49.4 | Very low | 163 Ų | 163 | 62.5 Ų | 62.5 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 173.5 | -76 | 176 | 168.4 | -168.5 | -9.3 | 112.5 | T1041 S1042 A1043 F1047 S1048 I1175 | T1041-R1045 WeakPolarHBondContact O-CG 3.34Å; T1041-R1045 PolarHBondContact O-N 3.38Å; S1042-R1045 PolarHBondContact O-N 3.27Å; A1043-R1045 VanDerWaalsContact C-N 3.28Å; A1043-R1045 PolarHBondContact O-N 2.75Å; R1045-F1047 VanDerWaalsContact C-N 3.25Å; R1045-F1047 PolarHBondContact O-N 3.35Å; R1045-S1048 PolarHBondContact O-N 2.93Å; R1045-I1175 HydrophobicContact CB-CD1 4.21Å |
| 1046 | L | 49 | Very low | 50 | Low | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.8 | -30.1 | 173.8 | -99.9 | 158.5 | 0 | 0 | 0 | 113.9 | S1042 A1043 F1053 I1172 I1175 F1179 | S1042-L1046 PolarHBondContact O-N 3.37Å; A1043-L1046 CarbonylContact O-C 3.59Å; A1043-L1046 WeakPolarHBondContact O-CA 3.46Å; A1043-L1046 WeakPolarHBondContact O-CB 3.48Å; A1043-L1046 PolarHBondContact O-N 2.91Å; A1043-L1046 VanDerWaalsContact O-N 3.09Å; L1046-F1053 HydrophobicContact CD2-CD2 3.72Å; L1046-F1053 HydrophobicContact CD2-CE2 3.55Å; L1046-F1053 WeakPolarHBondContact O-CB 3.42Å; L1046-I1172 HydrophobicContact CD2-CG2 4.07Å; L1046-I1175 HydrophobicContact CD1-CG2 3.67Å; L1046-I1175 HydrophobicContact CG-CD1 4.46Å; L1046-I1175 HydrophobicContact CG-CG2 3.86Å; L1046-F1179 HydrophobicContact CD1-CE2 3.74Å; L1046-F1179 HydrophobicContact CD1-CZ 4.31Å |
| 1047 | F | 50 | Low | 50.5 | Low | 63 Ų | 63 | 60.3 Ų | 60.3 | 28% | 0.276 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 14.9 | -179.3 | -54.2 | -51.2 | 0 | 0 | 0 | 113.8 | A1043 H1044 R1045 R1050 F1053 | A1043-F1047 HydrophobicContact CB-CD2 4.27Å; A1043-F1047 HydrophobicContact CB-CE2 4.06Å; A1043-F1047 WeakPolarHBondContact O-CD2 3.21Å; A1043-F1047 WeakPolarHBondContact O-CG 3.45Å; A1043-F1047 PolarHBondContact O-N 2.87Å; H1044-F1047 CarbonylContact O-C 3.59Å; H1044-F1047 PolarHBondContact O-N 2.98Å; R1045-F1047 VanDerWaalsContact C-N 3.25Å; R1045-F1047 PolarHBondContact O-N 3.35Å; F1047-R1050 WeakPolarHBondContact O-CG 3.48Å; F1047-F1053 HydrophobicContact CD1-CD1 4.01Å; F1047-F1053 HydrophobicContact CD1-CE1 4.14Å; F1047-F1053 HydrophobicContact CD1-CG 4.5Å; F1047-F1053 HydrophobicContact CE1-CD1 4.01Å; F1047-F1053 AromaticContact CE1-CE1 3.65Å; F1047-F1053 HydrophobicContact CE1-CE1 3.65Å; F1047-F1053 HydrophobicContact CE1-CZ 4.08Å |
| 1048 | S | 46.4 | Very low | 50.9 | Low | 74 Ų | 74 | 59.9 Ų | 59.9 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -72.9 | -42.4 | 179.7 | -68.5 | 0 | 0 | 0 | 0 | 111.5 | H1044 R1045 | H1044-S1048 PolarHBondContact ND1-OG 3.29Å; H1044-S1048 PolarHBondContact O-N 3.38Å; H1044-S1048 PolarHBondContact O-OG 3.13Å; R1045-S1048 PolarHBondContact O-N 2.93Å |
| 1049 | D | 50 | Low | 51.2 | Low | 65 Ų | 65 | 61.4 Ų | 61.4 | 35% | 0.348 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -103.7 | 104.5 | 163.3 | -176.8 | -16.9 | 0 | 0 | 0 | 109.3 | F1051 T1052 F1053 | D1049-F1051 PolarHBondContact OD1-N 2.88Å; D1049-T1052 VanDerWaalsContact CG-OG1 3.25Å; D1049-T1052 PolarHBondContact OD1-N 3.02Å; D1049-T1052 PolarHBondContact OD1-OG1 2.74Å; D1049-T1052 WeakPolarHBondContact OD2-CB 3.14Å; D1049-T1052 PolarHBondContact OD2-OG1 3.18Å; D1049-F1053 VanDerWaalsContact O-CB 3.31Å; D1049-F1053 WeakPolarHBondContact O-CB 3.42Å; D1049-F1053 PolarHBondContact O-N 2.73Å; D1049-F1053 VanDerWaalsContact O-N 3.14Å |
| 1050 | R | 47.8 | Very low | 51.6 | Low | 107 Ų | 107 | 60.3 Ų | 60.3 | 40% | 0.404 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -77.2 | -27.7 | -173.4 | -56 | 179.4 | -164.7 | -165.5 | 3.2 | 112.2 | F1047 V1054 Q1298 | F1047-R1050 WeakPolarHBondContact O-CG 3.48Å; R1050-V1054 WeakPolarHBondContact O-CG2 3.3Å; R1050-Q1298 VanDerWaalsContact NH1-CD 3.26Å |
| 1051 | F | 46.9 | Very low | 52 | Low | 156 Ų | 156 | 60.2 Ų | 60.2 | 68% | 0.684 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -82.3 | -46.9 | -178.9 | -152.9 | -102.2 | 0 | 0 | 0 | 109.9 | D1049 F1053 V1054 L1055 | D1049-F1051 PolarHBondContact OD1-N 2.88Å; F1051-F1053 PolarHBondContact O-N 3.46Å; F1051-V1054 PolarHBondContact O-N 3.22Å; F1051-L1055 HydrophobicContact CD1-CD1 3.64Å; F1051-L1055 HydrophobicContact CD1-CG 4.29Å; F1051-L1055 HydrophobicContact CE1-CD1 3.83Å; F1051-L1055 HydrophobicContact CE1-CG 4.43Å; F1051-L1055 WeakPolarHBondContact O-CG 3.27Å; F1051-L1055 PolarHBondContact O-N 2.97Å |
| 1052 | T | 50 | Low | 52 | Low | 39 Ų | 39 | 59.4 Ų | 59.4 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.9 | -33.2 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | D1049 V1054 L1055 W1056 F1168 | D1049-T1052 VanDerWaalsContact CG-OG1 3.25Å; D1049-T1052 PolarHBondContact OD1-N 3.02Å; D1049-T1052 PolarHBondContact OD1-OG1 2.74Å; D1049-T1052 WeakPolarHBondContact OD2-CB 3.14Å; D1049-T1052 PolarHBondContact OD2-OG1 3.18Å; T1052-V1054 PolarHBondContact O-N 3.42Å; T1052-L1055 PolarHBondContact O-N 2.83Å; T1052-W1056 WeakPolarHBondContact O-CB 3.17Å; T1052-W1056 PolarHBondContact O-N 3.24Å; T1052-F1168 HydrophobicContact CG2-CD1 3.79Å; T1052-F1168 HydrophobicContact CG2-CE1 3.49Å; T1052-F1168 VanDerWaalsContact CG2-CE1 3.49Å; T1052-F1168 HydrophobicContact CG2-CE2 4.37Å; T1052-F1168 HydrophobicContact CG2-CG 4.34Å; T1052-F1168 HydrophobicContact CG2-CZ 3.81Å |
| 1053 | F | 54.5 | Low | 52.1 | Low | 19 Ų | 19 | 61.4 Ų | 61.4 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 171.1 | 175.1 | -107.9 | 0 | 0 | 0 | 112.1 | L1046 F1047 D1049 F1051 W1056 L1057 | L1046-F1053 HydrophobicContact CD2-CD2 3.72Å; L1046-F1053 HydrophobicContact CD2-CE2 3.55Å; L1046-F1053 WeakPolarHBondContact O-CB 3.42Å; F1047-F1053 HydrophobicContact CD1-CD1 4.01Å; F1047-F1053 HydrophobicContact CD1-CE1 4.14Å; F1047-F1053 HydrophobicContact CD1-CG 4.5Å; F1047-F1053 HydrophobicContact CE1-CD1 4.01Å; F1047-F1053 AromaticContact CE1-CE1 3.65Å; F1047-F1053 HydrophobicContact CE1-CE1 3.65Å; F1047-F1053 HydrophobicContact CE1-CZ 4.08Å; D1049-F1053 VanDerWaalsContact O-CB 3.31Å; D1049-F1053 WeakPolarHBondContact O-CB 3.42Å; D1049-F1053 PolarHBondContact O-N 2.73Å; D1049-F1053 VanDerWaalsContact O-N 3.14Å; F1051-F1053 PolarHBondContact O-N 3.46Å; F1053-W1056 HydrophobicContact CD2-CE3 4.19Å; F1053-W1056 HydrophobicContact CE2-CE3 4.14Å; F1053-W1056 HydrophobicContact CE2-CZ3 4.05Å; F1053-W1056 PolarHBondContact O-N 3.48Å; F1053-L1057 HydrophobicContact CE2-CD1 4.33Å; F1053-L1057 HydrophobicContact CZ-CD1 4.08Å; F1053-L1057 HydrophobicContact CZ-CD2 4.44Å; F1053-L1057 WeakPolarHBondContact O-CB 3.41Å; F1053-L1057 PolarHBondContact O-N 3.35Å |
| 1054 | V | 54 | Low | 52.3 | Low | 62 Ų | 62 | 64.2 Ų | 64.2 | 38% | 0.376 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.3 | -43.9 | 178.4 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | R1050 F1051 T1052 W1056 L1057 M1058 | R1050-V1054 WeakPolarHBondContact O-CG2 3.3Å; F1051-V1054 PolarHBondContact O-N 3.22Å; T1052-V1054 PolarHBondContact O-N 3.42Å; V1054-W1056 PolarHBondContact O-N 2.82Å; V1054-L1057 PolarHBondContact O-N 3.45Å; V1054-M1058 HydrophobicContact CG1-CG 4.4Å; V1054-M1058 WeakPolarHBondContact O-CB 3.05Å; V1054-M1058 WeakPolarHBondContact O-CG 3.4Å; V1054-M1058 PolarHBondContact O-N 2.82Å |
| 1055 | L | 53.6 | Low | 52.1 | Low | 48 Ų | 48 | 65.3 Ų | 65.3 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 175.5 | -71.5 | 173.4 | 0 | 0 | 0 | 112.5 | F1051 T1052 M1058 R1059 C1161 | F1051-L1055 HydrophobicContact CD1-CD1 3.64Å; F1051-L1055 HydrophobicContact CD1-CG 4.29Å; F1051-L1055 HydrophobicContact CE1-CD1 3.83Å; F1051-L1055 HydrophobicContact CE1-CG 4.43Å; F1051-L1055 WeakPolarHBondContact O-CG 3.27Å; F1051-L1055 PolarHBondContact O-N 2.97Å; T1052-L1055 PolarHBondContact O-N 2.83Å; L1055-M1058 WeakPolarHBondContact O-CB 3.2Å; L1055-M1058 PolarHBondContact O-N 3.37Å; L1055-R1059 WeakPolarHBondContact O-CB 3.18Å; L1055-R1059 PolarHBondContact O-N 3Å; L1055-C1161 HydrophobicContact CD1-CB 4.32Å |
| 1056 | W | 61.9 | Low | 52.1 | Low | 20 Ų | 20 | 59.1 Ų | 59.1 | 8% | 0.076 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 175.2 | 173.1 | 84.9 | 0 | 0 | 0 | 111.9 | T1052 F1053 V1054 M1058 R1059 C1060 I1071 I1172 L1176 | T1052-W1056 WeakPolarHBondContact O-CB 3.17Å; T1052-W1056 PolarHBondContact O-N 3.24Å; F1053-W1056 HydrophobicContact CD2-CE3 4.19Å; F1053-W1056 HydrophobicContact CE2-CE3 4.14Å; F1053-W1056 HydrophobicContact CE2-CZ3 4.05Å; F1053-W1056 PolarHBondContact O-N 3.48Å; V1054-W1056 PolarHBondContact O-N 2.82Å; W1056-M1058 VanDerWaalsContact C-N 3.32Å; W1056-M1058 PolarHBondContact O-N 3.48Å; W1056-R1059 WeakPolarHBondContact O-CB 3.19Å; W1056-R1059 PolarHBondContact O-N 3.43Å; W1056-C1060 WeakPolarHBondContact CZ2-SG 2.97Å; W1056-C1060 PolarHBondContact O-N 3.33Å; W1056-C1060 PolarHBondContact O-SG 3.44Å; W1056-I1071 HydrophobicContact CH2-CD1 3.41Å; W1056-I1071 VanDerWaalsContact CH2-CD1 3.41Å; W1056-I1071 HydrophobicContact CH2-CG1 3.93Å; W1056-I1071 HydrophobicContact CH2-CG2 3.92Å; W1056-I1071 HydrophobicContact CZ2-CD1 3.87Å; W1056-I1071 HydrophobicContact CZ3-CD1 4.27Å; W1056-I1071 HydrophobicContact CZ3-CG2 4.02Å; W1056-I1172 HydrophobicContact CB-CD1 3.96Å; W1056-I1172 HydrophobicContact CD2-CB 4.36Å; W1056-I1172 HydrophobicContact CD2-CD1 3.52Å; W1056-I1172 HydrophobicContact CD2-CG2 3.99Å; W1056-I1172 HydrophobicContact CE3-CD1 3.98Å; W1056-I1172 HydrophobicContact CE3-CG2 3.98Å; W1056-I1172 HydrophobicContact CG-CD1 3.47Å; W1056-I1172 VanDerWaalsContact CG-CD1 3.47Å; W1056-I1172 HydrophobicContact CH2-CG2 3.43Å; W1056-I1172 VanDerWaalsContact CH2-CG2 3.43Å; W1056-I1172 HydrophobicContact CZ2-CB 4.09Å; W1056-I1172 HydrophobicContact CZ2-CG2 3.42Å; W1056-I1172 VanDerWaalsContact CZ2-CG2 3.42Å; W1056-I1172 HydrophobicContact CZ3-CG2 3.71Å; W1056-L1176 HydrophobicContact CH2-CD1 3.93Å; W1056-L1176 HydrophobicContact CZ2-CD1 4.16Å |
| 1057 | L | 56.8 | Low | 52.3 | Low | 17 Ų | 17 | 62.3 Ų | 62.3 | 9% | 0.089 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.4 | -156.9 | 76.4 | 0 | 0 | 0 | 110.8 | F1053 V1054 C1060 F1061 I1071 L1135 | F1053-L1057 HydrophobicContact CE2-CD1 4.33Å; F1053-L1057 HydrophobicContact CZ-CD1 4.08Å; F1053-L1057 HydrophobicContact CZ-CD2 4.44Å; F1053-L1057 WeakPolarHBondContact O-CB 3.41Å; F1053-L1057 PolarHBondContact O-N 3.35Å; V1054-L1057 PolarHBondContact O-N 3.45Å; L1057-C1060 PolarHBondContact O-N 2.92Å; L1057-F1061 HydrophobicContact CD2-CE2 3.91Å; L1057-F1061 HydrophobicContact CD2-CZ 4.49Å; L1057-F1061 HydrophobicContact CG-CD2 4.37Å; L1057-F1061 HydrophobicContact CG-CE2 3.75Å; L1057-F1061 HydrophobicContact CG-CZ 4.41Å; L1057-F1061 WeakPolarHBondContact O-CD2 3.42Å; L1057-F1061 PolarHBondContact O-N 2.78Å; L1057-I1071 HydrophobicContact CD1-CG2 3.79Å; L1057-L1135 HydrophobicContact CD2-CD2 4.15Å |
| 1058 | M | 56.3 | Low | 52.4 | Low | 58 Ų | 58 | 59.7 Ų | 59.7 | 29% | 0.286 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 173.3 | -69.6 | -83.1 | -85.6 | 0 | 0 | 112.4 | V1054 L1055 W1056 F1061 V1062 L1142 | V1054-M1058 HydrophobicContact CG1-CG 4.4Å; V1054-M1058 WeakPolarHBondContact O-CB 3.05Å; V1054-M1058 WeakPolarHBondContact O-CG 3.4Å; V1054-M1058 PolarHBondContact O-N 2.82Å; L1055-M1058 WeakPolarHBondContact O-CB 3.2Å; L1055-M1058 PolarHBondContact O-N 3.37Å; W1056-M1058 VanDerWaalsContact C-N 3.32Å; W1056-M1058 PolarHBondContact O-N 3.48Å; M1058-F1061 PolarHBondContact O-N 2.89Å; M1058-V1062 WeakPolarHBondContact O-CG2 3.11Å; M1058-V1062 PolarHBondContact O-N 3Å; M1058-L1142 HydrophobicContact CE-CD2 3.84Å; M1058-L1142 HydrophobicContact SD-CD1 3.51Å; M1058-L1142 VanDerWaalsContact SD-CD1 3.51Å; M1058-L1142 HydrophobicContact SD-CD2 3.51Å; M1058-L1142 VanDerWaalsContact SD-CD2 3.51Å; M1058-L1142 HydrophobicContact SD-CG 4.16Å |
| 1059 | R | 56.3 | Low | 52.8 | Low | 105 Ų | 105 | 59.6 Ų | 59.6 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 172 | 175.7 | 179.2 | 163.2 | 118.5 | -8.3 | 110.6 | L1055 W1056 F1061 V1062 T1063 E1169 | L1055-R1059 WeakPolarHBondContact O-CB 3.18Å; L1055-R1059 PolarHBondContact O-N 3Å; W1056-R1059 WeakPolarHBondContact O-CB 3.19Å; W1056-R1059 PolarHBondContact O-N 3.43Å; R1059-F1061 VanDerWaalsContact C-N 3.35Å; R1059-F1061 PolarHBondContact O-N 3.2Å; R1059-V1062 PolarHBondContact O-N 3.48Å; R1059-T1063 HydrophobicContact CG-CG2 3.76Å; R1059-T1063 PolarHBondContact O-N 3.19Å; R1059-T1063 PolarHBondContact O-OG1 2.74Å; R1059-E1169 IonicContact CZ-OE1 2.66Å; R1059-E1169 IonicContact CZ-OE2 3.55Å; R1059-E1169 IonicContact NE-OE1 3.51Å; R1059-E1169 PolarHBondContact NE-OE1 2.8Å; R1059-E1169 IonicContact NE-OE2 3.67Å; R1059-E1169 VanDerWaalsContact NH2-CD 3.3Å; R1059-E1169 IonicContact NH2-OE1 3.53Å; R1059-E1169 PolarHBondContact NH2-OE1 3.17Å; R1059-E1169 IonicContact NH2-OE2 3.01Å; R1059-E1169 PolarHBondContact NH2-OE2 3.25Å |
| 1060 | C | 55.7 | Low | 53.2 | Low | 10 Ų | 10 | 60.9 Ų | 60.9 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -39 | 178.8 | -73.1 | 0 | 0 | 0 | 0 | 113.5 | W1056 L1057 V1062 A1068 I1071 | W1056-C1060 WeakPolarHBondContact CZ2-SG 2.97Å; W1056-C1060 PolarHBondContact O-N 3.33Å; W1056-C1060 PolarHBondContact O-SG 3.44Å; L1057-C1060 PolarHBondContact O-N 2.92Å; C1060-V1062 PolarHBondContact O-N 2.82Å; C1060-A1068 HydrophobicContact CB-CB 4.46Å; C1060-I1071 HydrophobicContact CB-CD1 3.9Å |
| 1061 | F | 56.3 | Low | 53.6 | Low | 43 Ų | 43 | 56 Ų | 56 | 19% | 0.189 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64 | -19.7 | 174.6 | -74.9 | -58.2 | 0 | 0 | 0 | 114.1 | L1057 M1058 R1059 A1068 L1072 R1139 L1142 | L1057-F1061 HydrophobicContact CD2-CE2 3.91Å; L1057-F1061 HydrophobicContact CD2-CZ 4.49Å; L1057-F1061 HydrophobicContact CG-CD2 4.37Å; L1057-F1061 HydrophobicContact CG-CE2 3.75Å; L1057-F1061 HydrophobicContact CG-CZ 4.41Å; L1057-F1061 WeakPolarHBondContact O-CD2 3.42Å; L1057-F1061 PolarHBondContact O-N 2.78Å; M1058-F1061 PolarHBondContact O-N 2.89Å; R1059-F1061 VanDerWaalsContact C-N 3.35Å; R1059-F1061 PolarHBondContact O-N 3.2Å; F1061-A1068 HydrophobicContact CD1-CB 3.43Å; F1061-A1068 VanDerWaalsContact CD1-CB 3.43Å; F1061-A1068 HydrophobicContact CE1-CB 3.72Å; F1061-A1068 HydrophobicContact CG-CB 4.16Å; F1061-L1072 HydrophobicContact CE1-CD1 3.84Å; F1061-L1072 HydrophobicContact CZ-CD1 3.84Å; F1061-L1072 HydrophobicContact CZ-CG 4.26Å; F1061-R1139 HydrophobicContact CE1-CB 4.16Å; F1061-R1139 HydrophobicContact CE1-CG 3.9Å; F1061-R1139 HydrophobicContact CZ-CB 4.06Å; F1061-R1139 HydrophobicContact CZ-CG 4.31Å; F1061-L1142 HydrophobicContact CD2-CD1 4.46Å |
| 1062 | V | 50.6 | Low | 54.3 | Low | 56 Ų | 56 | 49.5 Ų | 49.5 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -111.1 | -36.2 | -173.1 | 173.6 | 0 | 0 | 0 | 0 | 113.2 | M1058 R1059 C1060 F1146 W1158 | M1058-V1062 WeakPolarHBondContact O-CG2 3.11Å; M1058-V1062 PolarHBondContact O-N 3Å; R1059-V1062 PolarHBondContact O-N 3.48Å; C1060-V1062 PolarHBondContact O-N 2.82Å; V1062-F1146 HydrophobicContact CB-CE2 4.33Å; V1062-F1146 HydrophobicContact CB-CZ 4.47Å; V1062-F1146 HydrophobicContact CG1-CE2 3.7Å; V1062-F1146 HydrophobicContact CG1-CZ 3.64Å; V1062-F1146 HydrophobicContact CG2-CD2 3.89Å; V1062-F1146 HydrophobicContact CG2-CE2 3.66Å; V1062-F1146 HydrophobicContact CG2-CZ 4.19Å; V1062-W1158 HydrophobicContact CB-CH2 3.7Å; V1062-W1158 HydrophobicContact CB-CZ3 3.68Å; V1062-W1158 HydrophobicContact CG1-CH2 3.44Å; V1062-W1158 VanDerWaalsContact CG1-CH2 3.44Å; V1062-W1158 HydrophobicContact CG1-CZ2 4.42Å; V1062-W1158 HydrophobicContact CG1-CZ3 3.57Å; V1062-W1158 HydrophobicContact CG2-CZ3 4.13Å |
| 1063 | T | 48.7 | Very low | 54.8 | Low | 63 Ų | 63 | 54 Ų | 54 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -81.2 | -40.3 | -176 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | R1059 W1158 | R1059-T1063 HydrophobicContact CG-CG2 3.76Å; R1059-T1063 PolarHBondContact O-N 3.19Å; R1059-T1063 PolarHBondContact O-OG1 2.74Å; T1063-W1158 HydrophobicContact CG2-CH2 3.84Å; T1063-W1158 HydrophobicContact CG2-CZ2 3.96Å |
| 1064 | I | 53.3 | Low | 55 | Low | 87 Ų | 87 | 55.1 Ų | 55.1 | 45% | 0.446 | 30% | 0.298 | S | S | . | . | trans | -136.4 | 86.8 | -172.5 | -45.9 | 175.3 | 0 | 0 | 0 | 110.7 | G1066 I1067 | I1064-G1066 PolarHBondContact O-N 2.75Å; I1064-I1067 HydrophobicContact CB-CB 4.37Å; I1064-I1067 HydrophobicContact CB-CD1 4.26Å; I1064-I1067 HydrophobicContact CB-CG1 4.36Å; I1064-I1067 HydrophobicContact CD1-CD1 3.91Å; I1064-I1067 HydrophobicContact CG2-CB 4.25Å; I1064-I1067 HydrophobicContact CG2-CD1 3.69Å; I1064-I1067 HydrophobicContact CG2-CG1 3.74Å; I1064-I1067 PolarHBondContact O-N 2.9Å | ||
| 1065 | S | 45.3 | Very low | 55.1 | Low | 104 Ų | 104 | 53 Ų | 53 | 73% | 0.727 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 109.1 | 172.9 | -169.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1066 | G | 50.1 | Low | 55.3 | Low | 33 Ų | 33 | 55.5 Ų | 55.5 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 132.2 | -58.1 | -172 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1064 A1068 D1069 | I1064-G1066 PolarHBondContact O-N 2.75Å; G1066-A1068 VanDerWaalsContact C-N 3.25Å; G1066-A1068 PolarHBondContact O-N 2.96Å; G1066-D1069 WeakPolarHBondContact O-CB 3.4Å; G1066-D1069 PolarHBondContact O-N 2.59Å |
| 1067 | I | 53.8 | Low | 55.1 | Low | 79 Ų | 79 | 56.9 Ų | 56.9 | 41% | 0.405 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.6 | -29.6 | -174.4 | -65.1 | -174.7 | 0 | 0 | 0 | 112 | I1064 D1069 D1070 I1071 | I1064-I1067 HydrophobicContact CB-CB 4.37Å; I1064-I1067 HydrophobicContact CB-CD1 4.26Å; I1064-I1067 HydrophobicContact CB-CG1 4.36Å; I1064-I1067 HydrophobicContact CD1-CD1 3.91Å; I1064-I1067 HydrophobicContact CG2-CB 4.25Å; I1064-I1067 HydrophobicContact CG2-CD1 3.69Å; I1064-I1067 HydrophobicContact CG2-CG1 3.74Å; I1064-I1067 PolarHBondContact O-N 2.9Å; I1067-D1069 VanDerWaalsContact C-N 3.27Å; I1067-D1069 PolarHBondContact O-N 3.06Å; I1067-D1070 PolarHBondContact O-N 3.42Å; I1067-I1071 HydrophobicContact CG2-CD1 3.75Å; I1067-I1071 HydrophobicContact CG2-CG1 4.2Å; I1067-I1071 WeakPolarHBondContact O-CD1 3.39Å; I1067-I1071 VanDerWaalsContact O-CG1 3.28Å; I1067-I1071 WeakPolarHBondContact O-CG1 3.49Å; I1067-I1071 PolarHBondContact O-N 3.39Å |
| 1068 | A | 51.7 | Low | 54.9 | Low | 8 Ų | 8 | 56.9 Ų | 56.9 | 7% | 0.066 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -23.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1060 F1061 G1066 L1072 | C1060-A1068 HydrophobicContact CB-CB 4.46Å; F1061-A1068 HydrophobicContact CD1-CB 3.43Å; F1061-A1068 VanDerWaalsContact CD1-CB 3.43Å; F1061-A1068 HydrophobicContact CE1-CB 3.72Å; F1061-A1068 HydrophobicContact CG-CB 4.16Å; G1066-A1068 VanDerWaalsContact C-N 3.25Å; G1066-A1068 PolarHBondContact O-N 2.96Å; A1068-L1072 WeakPolarHBondContact O-CB 3.18Å; A1068-L1072 PolarHBondContact O-N 3.49Å |
| 1069 | D | 55.9 | Low | 54.7 | Low | 73 Ų | 73 | 56.3 Ų | 56.3 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.2 | -47.4 | 170 | -84.7 | -72.4 | 0 | 0 | 0 | 110.4 | G1066 I1067 I1071 L1072 E1073 R1139 | G1066-D1069 WeakPolarHBondContact O-CB 3.4Å; G1066-D1069 PolarHBondContact O-N 2.59Å; I1067-D1069 VanDerWaalsContact C-N 3.27Å; I1067-D1069 PolarHBondContact O-N 3.06Å; D1069-I1071 VanDerWaalsContact C-N 3.33Å; D1069-I1071 PolarHBondContact O-N 2.9Å; D1069-L1072 PolarHBondContact O-N 2.95Å; D1069-E1073 PolarHBondContact O-N 3.48Å; D1069-R1139 IonicContact OD1-CZ 2.63Å; D1069-R1139 IonicContact OD1-NH1 3.92Å; D1069-R1139 PolarHBondContact OD1-NH1 2.84Å; D1069-R1139 IonicContact OD1-NH2 2.68Å; D1069-R1139 PolarHBondContact OD1-NH2 3.1Å; D1069-R1139 IonicContact OD2-NH2 3.71Å; D1069-R1139 PolarHBondContact OD2-NH2 3.42Å |
| 1070 | D | 57.8 | Low | 54.4 | Low | 91 Ų | 91 | 57.8 Ų | 57.8 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 176.8 | -64.2 | -45.5 | 0 | 0 | 0 | 112 | I1067 E1073 Q1074 | I1067-D1070 PolarHBondContact O-N 3.42Å; D1070-E1073 PolarHBondContact O-N 3.24Å; D1070-Q1074 WeakPolarHBondContact O-CB 3.29Å; D1070-Q1074 VanDerWaalsContact O-CG 3.25Å; D1070-Q1074 WeakPolarHBondContact O-CG 3.07Å; D1070-Q1074 PolarHBondContact O-N 2.71Å |
| 1071 | I | 56 | Low | 54.2 | Low | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 176.1 | -67.9 | 159.9 | 0 | 0 | 0 | 110.8 | W1056 L1057 C1060 I1067 D1069 E1073 Q1074 V1075 L1176 | W1056-I1071 HydrophobicContact CH2-CD1 3.41Å; W1056-I1071 VanDerWaalsContact CH2-CD1 3.41Å; W1056-I1071 HydrophobicContact CH2-CG1 3.93Å; W1056-I1071 HydrophobicContact CH2-CG2 3.92Å; W1056-I1071 HydrophobicContact CZ2-CD1 3.87Å; W1056-I1071 HydrophobicContact CZ3-CD1 4.27Å; W1056-I1071 HydrophobicContact CZ3-CG2 4.02Å; L1057-I1071 HydrophobicContact CD1-CG2 3.79Å; C1060-I1071 HydrophobicContact CB-CD1 3.9Å; I1067-I1071 HydrophobicContact CG2-CD1 3.75Å; I1067-I1071 HydrophobicContact CG2-CG1 4.2Å; I1067-I1071 WeakPolarHBondContact O-CD1 3.39Å; I1067-I1071 VanDerWaalsContact O-CG1 3.28Å; I1067-I1071 WeakPolarHBondContact O-CG1 3.49Å; I1067-I1071 PolarHBondContact O-N 3.39Å; D1069-I1071 VanDerWaalsContact C-N 3.33Å; D1069-I1071 PolarHBondContact O-N 2.9Å; I1071-E1073 VanDerWaalsContact C-N 3.34Å; I1071-E1073 PolarHBondContact O-N 3.48Å; I1071-Q1074 PolarHBondContact O-N 2.94Å; I1071-V1075 WeakPolarHBondContact O-CG2 3.38Å; I1071-V1075 PolarHBondContact O-N 3.44Å; I1071-L1176 HydrophobicContact CG1-CD1 3.97Å; I1071-L1176 HydrophobicContact CG1-CD2 4.46Å |
| 1072 | L | 61.1 | Low | 53.9 | Low | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 177 | -89.2 | 170.7 | 0 | 0 | 0 | 111.7 | F1061 A1068 D1069 V1075 Y1076 L1135 R1139 | F1061-L1072 HydrophobicContact CE1-CD1 3.84Å; F1061-L1072 HydrophobicContact CZ-CD1 3.84Å; F1061-L1072 HydrophobicContact CZ-CG 4.26Å; A1068-L1072 WeakPolarHBondContact O-CB 3.18Å; A1068-L1072 PolarHBondContact O-N 3.49Å; D1069-L1072 PolarHBondContact O-N 2.95Å; L1072-V1075 PolarHBondContact O-N 3.46Å; L1072-Y1076 WeakPolarHBondContact O-CB 3.26Å; L1072-Y1076 PolarHBondContact O-N 3.04Å; L1072-L1135 HydrophobicContact CD2-CB 4.1Å; L1072-R1139 HydrophobicContact CD1-CB 4.11Å; L1072-R1139 HydrophobicContact CD1-CG 3.94Å |
| 1073 | E | 61.4 | Low | 53.7 | Low | 135 Ų | 135 | 58.6 Ų | 58.6 | 63% | 0.631 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.4 | -32.9 | 179.9 | -168.5 | 157.6 | -169.8 | 0 | 0 | 112.2 | D1069 D1070 I1071 S1077 | D1069-E1073 PolarHBondContact O-N 3.48Å; D1070-E1073 PolarHBondContact O-N 3.24Å; I1071-E1073 VanDerWaalsContact C-N 3.34Å; I1071-E1073 PolarHBondContact O-N 3.48Å; E1073-S1077 WeakPolarHBondContact O-CB 3.17Å; E1073-S1077 PolarHBondContact O-N 2.74Å |
| 1074 | Q | 58.6 | Low | 53.5 | Low | 41 Ų | 41 | 61 Ų | 61 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.6 | -46.4 | 170.7 | -72.9 | 176.9 | 43.8 | 0 | 0 | 112.4 | D1070 I1071 S1077 A1078 | D1070-Q1074 WeakPolarHBondContact O-CB 3.29Å; D1070-Q1074 VanDerWaalsContact O-CG 3.25Å; D1070-Q1074 WeakPolarHBondContact O-CG 3.07Å; D1070-Q1074 PolarHBondContact O-N 2.71Å; I1071-Q1074 PolarHBondContact O-N 2.94Å; Q1074-S1077 WeakPolarHBondContact O-CB 3.34Å; Q1074-S1077 PolarHBondContact O-N 3.09Å; Q1074-A1078 PolarHBondContact O-N 2.74Å |
| 1075 | V | 56.2 | Low | 53.2 | Low | 17 Ų | 17 | 59.8 Ų | 59.8 | 10% | 0.103 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | I1071 L1072 S1077 A1078 L1079 L1135 | I1071-V1075 WeakPolarHBondContact O-CG2 3.38Å; I1071-V1075 PolarHBondContact O-N 3.44Å; L1072-V1075 PolarHBondContact O-N 3.46Å; V1075-S1077 PolarHBondContact O-N 2.95Å; V1075-A1078 PolarHBondContact O-N 2.85Å; V1075-L1079 HydrophobicContact CG1-CD1 3.99Å; V1075-L1079 WeakPolarHBondContact O-CG 3.05Å; V1075-L1079 PolarHBondContact O-N 2.68Å; V1075-L1135 HydrophobicContact CG1-CD1 4.38Å |
| 1076 | Y | 57.3 | Low | 53.2 | Low | 101 Ų | 101 | 58.6 Ų | 58.6 | 40% | 0.396 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 172.6 | 173 | -113.3 | 0 | 0 | 0 | 111.5 | L1072 A1078 L1079 R1080 V1132 | L1072-Y1076 WeakPolarHBondContact O-CB 3.26Å; L1072-Y1076 PolarHBondContact O-N 3.04Å; Y1076-A1078 PolarHBondContact O-N 2.7Å; Y1076-L1079 PolarHBondContact O-N 3.26Å; Y1076-R1080 WeakPolarHBondContact O-CB 3.45Å; Y1076-R1080 PolarHBondContact O-N 2.86Å; Y1076-V1132 HydrophobicContact CD2-CB 4.48Å; Y1076-V1132 HydrophobicContact CD2-CG1 3.64Å; Y1076-V1132 HydrophobicContact CD2-CG2 3.98Å; Y1076-V1132 HydrophobicContact CE2-CG1 4Å |
| 1077 | S | 57 | Low | 52.7 | Low | 50 Ų | 50 | 58.4 Ų | 58.4 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 175.3 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | E1073 Q1074 V1075 N1081 | E1073-S1077 WeakPolarHBondContact O-CB 3.17Å; E1073-S1077 PolarHBondContact O-N 2.74Å; Q1074-S1077 WeakPolarHBondContact O-CB 3.34Å; Q1074-S1077 PolarHBondContact O-N 3.09Å; V1075-S1077 PolarHBondContact O-N 2.95Å; S1077-N1081 VanDerWaalsContact O-CB 3.27Å; S1077-N1081 WeakPolarHBondContact O-CB 2.95Å; S1077-N1081 PolarHBondContact O-N 2.85Å; S1077-N1081 PolarHBondContact O-ND2 2.77Å; S1077-N1081 PolarHBondContact OG-ND2 3.38Å |
| 1078 | A | 53.1 | Low | 52 | Low | 16 Ų | 16 | 56.9 Ų | 56.9 | 13% | 0.132 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.9 | -50.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1074 V1075 Y1076 N1081 A1082 F1179 | Q1074-A1078 PolarHBondContact O-N 2.74Å; V1075-A1078 PolarHBondContact O-N 2.85Å; Y1076-A1078 PolarHBondContact O-N 2.7Å; A1078-N1081 PolarHBondContact O-N 3.05Å; A1078-A1082 PolarHBondContact O-N 3.13Å; A1078-F1179 HydrophobicContact CB-CD1 4.16Å; A1078-F1179 HydrophobicContact CB-CE1 3.58Å; A1078-F1179 HydrophobicContact CB-CZ 4.04Å |
| 1079 | L | 51.9 | Low | 51.6 | Low | 47 Ų | 47 | 62 Ų | 62 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 178.5 | -71.6 | 168.6 | 0 | 0 | 0 | 111.8 | V1075 Y1076 N1081 A1082 A1083 V1132 | V1075-L1079 HydrophobicContact CG1-CD1 3.99Å; V1075-L1079 WeakPolarHBondContact O-CG 3.05Å; V1075-L1079 PolarHBondContact O-N 2.68Å; Y1076-L1079 PolarHBondContact O-N 3.26Å; L1079-N1081 VanDerWaalsContact C-N 3.34Å; L1079-N1081 PolarHBondContact O-N 2.97Å; L1079-A1082 WeakPolarHBondContact O-CB 3.2Å; L1079-A1082 PolarHBondContact O-N 2.8Å; L1079-A1083 PolarHBondContact O-N 3.1Å; L1079-V1132 HydrophobicContact CD1-CG2 3.92Å |
| 1080 | R | 51.5 | Low | 50.7 | Low | 136 Ų | 136 | 62.1 Ų | 62.1 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.8 | -35.9 | 179.6 | -173.1 | 173.7 | -177.3 | -124.4 | -0 | 112.5 | Y1076 A1082 A1083 L1084 | Y1076-R1080 WeakPolarHBondContact O-CB 3.45Å; Y1076-R1080 PolarHBondContact O-N 2.86Å; R1080-A1082 VanDerWaalsContact C-N 3.29Å; R1080-A1082 PolarHBondContact O-N 3.35Å; R1080-A1083 PolarHBondContact O-N 3.08Å; R1080-L1084 HydrophobicContact CG-CD1 3.83Å; R1080-L1084 HydrophobicContact CG-CG 4.3Å; R1080-L1084 WeakPolarHBondContact O-CB 3.4Å; R1080-L1084 WeakPolarHBondContact O-CD1 3.46Å; R1080-L1084 VanDerWaalsContact O-CG 3.22Å; R1080-L1084 WeakPolarHBondContact O-CG 3.25Å; R1080-L1084 PolarHBondContact O-N 2.74Å |
| 1081 | N | 51.4 | Low | 49.5 | Very low | 74 Ų | 74 | 61.3 Ų | 61.3 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.6 | -19.9 | 173.6 | -77.6 | -60.4 | 0 | 0 | 0 | 113.3 | S1077 A1078 L1079 | S1077-N1081 VanDerWaalsContact O-CB 3.27Å; S1077-N1081 WeakPolarHBondContact O-CB 2.95Å; S1077-N1081 PolarHBondContact O-N 2.85Å; S1077-N1081 PolarHBondContact O-ND2 2.77Å; S1077-N1081 PolarHBondContact OG-ND2 3.38Å; A1078-N1081 PolarHBondContact O-N 3.05Å; L1079-N1081 VanDerWaalsContact C-N 3.34Å; L1079-N1081 PolarHBondContact O-N 2.97Å |
| 1082 | A | 48.6 | Very low | 48.5 | Very low | 24 Ų | 24 | 65.4 Ų | 65.4 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -80.1 | -41.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | A1078 L1079 R1080 I1085 W1120 | A1078-A1082 PolarHBondContact O-N 3.13Å; L1079-A1082 WeakPolarHBondContact O-CB 3.2Å; L1079-A1082 PolarHBondContact O-N 2.8Å; R1080-A1082 VanDerWaalsContact C-N 3.29Å; R1080-A1082 PolarHBondContact O-N 3.35Å; A1082-I1085 WeakPolarHBondContact O-CG1 3.34Å; A1082-W1120 HydrophobicContact CB-CH2 4.41Å; A1082-W1120 HydrophobicContact CB-CZ2 4.15Å |
| 1083 | A | 47.5 | Very low | 47.3 | Very low | 27 Ų | 27 | 68.8 Ų | 68.8 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72 | -32.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | L1079 R1080 I1085 W1120 | L1079-A1083 PolarHBondContact O-N 3.1Å; R1080-A1083 PolarHBondContact O-N 3.08Å; A1083-I1085 PolarHBondContact O-N 3.45Å; A1083-W1120 HydrophobicContact CB-CE3 4.21Å; A1083-W1120 HydrophobicContact CB-CH2 4Å; A1083-W1120 HydrophobicContact CB-CZ3 3.74Å |
| 1084 | L | 44.3 | Very low | 45.9 | Very low | 113 Ų | 113 | 66.9 Ų | 66.9 | 59% | 0.592 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 17.7 | -178.7 | -77.2 | 171.2 | 0 | 0 | 0 | 115.4 | R1080 D1086 | R1080-L1084 HydrophobicContact CG-CD1 3.83Å; R1080-L1084 HydrophobicContact CG-CG 4.3Å; R1080-L1084 WeakPolarHBondContact O-CB 3.4Å; R1080-L1084 WeakPolarHBondContact O-CD1 3.46Å; R1080-L1084 VanDerWaalsContact O-CG 3.22Å; R1080-L1084 WeakPolarHBondContact O-CG 3.25Å; R1080-L1084 PolarHBondContact O-N 2.74Å; L1084-D1086 PolarHBondContact O-N 2.76Å |
| 1085 | I | 47.9 | Very low | 44.5 | Very low | 63 Ų | 63 | 68.6 Ų | 68.6 | 32% | 0.323 | 39% | 0.386 | S | S | . | . | trans | -88.3 | 82.6 | 177.2 | -56.7 | 177.5 | 0 | 0 | 0 | 109.1 | A1036 A1082 A1083 P1087 I1090 | A1036-I1085 HydrophobicContact CB-CD1 4.22Å; A1082-I1085 WeakPolarHBondContact O-CG1 3.34Å; A1083-I1085 PolarHBondContact O-N 3.45Å; I1085-P1087 WeakPolarHBondContact O-CD 3.4Å; I1085-P1087 VanDerWaalsContact O-N 3.14Å; I1085-I1090 HydrophobicContact CG2-CD1 4.11Å | ||
| 1086 | D | 44.2 | Very low | 43.3 | Very low | 79 Ų | 79 | 71.6 Ų | 71.6 | 42% | 0.422 | 40% | 0.404 | S | S | . | . | trans | -50.6 | 115 | -176 | 178.1 | 8.5 | 0 | 0 | 0 | 112.6 | L1084 A1088 E1089 I1090 | L1084-D1086 PolarHBondContact O-N 2.76Å; D1086-A1088 PolarHBondContact O-N 3.14Å; D1086-A1088 VanDerWaalsContact O-N 3.11Å; D1086-A1088 WeakPolarHBondContact OD1-CA 3.43Å; D1086-A1088 VanDerWaalsContact OD1-CB 3.22Å; D1086-A1088 WeakPolarHBondContact OD1-CB 3.46Å; D1086-A1088 PolarHBondContact OD1-N 3.06Å; D1086-E1089 HydrophobicContact CB-CB 4.38Å; D1086-E1089 HydrophobicContact CB-CG 4.16Å; D1086-E1089 PolarHBondContact O-N 2.63Å; D1086-I1090 PolarHBondContact O-N 2.98Å | ||
| 1087 | P | 40.3 | Very low | 42.1 | Very low | 29 Ų | 29 | 71 Ų | 71 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.1 | -13.5 | 177.7 | 27.1 | -34 | 0 | 0 | 0 | 112.8 | I1085 N1091 N1118 | I1085-P1087 WeakPolarHBondContact O-CD 3.4Å; I1085-P1087 VanDerWaalsContact O-N 3.14Å; P1087-N1091 VanDerWaalsContact O-CB 3.25Å; P1087-N1091 WeakPolarHBondContact O-CB 3.19Å; P1087-N1091 PolarHBondContact O-N 3.22Å; P1087-N1091 PolarHBondContact O-ND2 3.43Å; P1087-N1118 HydrophobicContact CB-CB 4.3Å; P1087-N1118 HydrophobicContact CG-CB 4.29Å |
| 1088 | A | 39.2 | Very low | 40.9 | Very low | 46 Ų | 46 | 74.9 Ų | 74.9 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -78.7 | -31.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1086 I1090 N1091 T1092 | D1086-A1088 PolarHBondContact O-N 3.14Å; D1086-A1088 VanDerWaalsContact O-N 3.11Å; D1086-A1088 WeakPolarHBondContact OD1-CA 3.43Å; D1086-A1088 VanDerWaalsContact OD1-CB 3.22Å; D1086-A1088 WeakPolarHBondContact OD1-CB 3.46Å; D1086-A1088 PolarHBondContact OD1-N 3.06Å; A1088-I1090 PolarHBondContact O-N 3.37Å; A1088-N1091 PolarHBondContact O-N 2.89Å; A1088-T1092 WeakPolarHBondContact O-CB 3.35Å; A1088-T1092 VanDerWaalsContact O-CG2 3.27Å; A1088-T1092 WeakPolarHBondContact O-CG2 3.46Å; A1088-T1092 PolarHBondContact O-N 3.19Å; A1088-T1092 PolarHBondContact O-OG1 3.03Å |
| 1089 | E | 42.7 | Very low | 39.8 | Very low | 117 Ų | 117 | 82.8 Ų | 82.8 | 55% | 0.547 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.9 | -35.4 | 167.8 | -76 | -158.3 | 150.2 | 0 | 0 | 110.4 | K1032 D1086 | K1032-E1089 IonicContact NZ-OE2 3.48Å; K1032-E1089 PolarHBondContact NZ-OE2 2.85Å; D1086-E1089 HydrophobicContact CB-CB 4.38Å; D1086-E1089 HydrophobicContact CB-CG 4.16Å; D1086-E1089 PolarHBondContact O-N 2.63Å |
| 1090 | I | 37.4 | Very low | 38.6 | Very low | 75 Ų | 75 | 87.3 Ų | 87.3 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.4 | -50.9 | 175 | -58.2 | 176.6 | 0 | 0 | 0 | 111.2 | I1085 D1086 A1088 V1119 | I1085-I1090 HydrophobicContact CG2-CD1 4.11Å; D1086-I1090 PolarHBondContact O-N 2.98Å; A1088-I1090 PolarHBondContact O-N 3.37Å; I1090-V1119 HydrophobicContact CD1-CB 4.47Å; I1090-V1119 HydrophobicContact CD1-CG2 3.82Å |
| 1091 | N | 32.4 | Very low | 37.7 | Very low | 73 Ų | 73 | 85 Ų | 85 | 39% | 0.39 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -79.5 | -18.9 | -172.1 | -80.1 | -63.1 | 0 | 0 | 0 | 115.5 | P1087 A1088 V1093 S1094 S1095 | P1087-N1091 VanDerWaalsContact O-CB 3.25Å; P1087-N1091 WeakPolarHBondContact O-CB 3.19Å; P1087-N1091 PolarHBondContact O-N 3.22Å; P1087-N1091 PolarHBondContact O-ND2 3.43Å; A1088-N1091 PolarHBondContact O-N 2.89Å; N1091-V1093 PolarHBondContact O-N 2.75Å; N1091-S1094 PolarHBondContact O-N 3.28Å; N1091-S1095 PolarHBondContact O-OG 3.34Å |
| 1092 | T | 35.5 | Very low | 36.8 | Very low | 90 Ų | 90 | 90 Ų | 90 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19.7 | 174.9 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | A1088 | A1088-T1092 WeakPolarHBondContact O-CB 3.35Å; A1088-T1092 VanDerWaalsContact O-CG2 3.27Å; A1088-T1092 WeakPolarHBondContact O-CG2 3.46Å; A1088-T1092 PolarHBondContact O-N 3.19Å; A1088-T1092 PolarHBondContact O-OG1 3.03Å |
| 1093 | V | 34.9 | Very low | 36 | Very low | 92 Ų | 92 | 94.3 Ų | 94.3 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -30.6 | 171.5 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | N1091 | N1091-V1093 PolarHBondContact O-N 2.75Š|
| 1094 | S | 32 | Very low | 35.2 | Very low | 95 Ų | 95 | 101.4 Ų | 101.4 | 66% | 0.664 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -13.8 | -169.9 | -54.9 | 0 | 0 | 0 | 0 | 115.4 | N1091 | N1091-S1094 PolarHBondContact O-N 3.28Š|
| 1095 | S | 29.7 | Very low | 34.6 | Very low | 77 Ų | 77 | 101.9 Ų | 101.9 | 54% | 0.538 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -118.7 | 3.9 | -154.8 | 51.1 | 0 | 0 | 0 | 0 | 117.2 | N1091 | N1091-S1095 PolarHBondContact O-OG 3.34Š|
| 1096 | T | 29.8 | Very low | 33.9 | Very low | 80 Ų | 80 | 103.9 Ų | 103.9 | 49% | 0.491 | 59% | 0.59 | S | S | . | * | trans | -129.5 | 138.6 | 179.6 | 51.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1097 | S | 33.4 | Very low | 33.4 | Very low | 87 Ų | 87 | 106.1 Ų | 106.1 | 61% | 0.608 | 61% | 0.606 | S | S | * | * | trans | 62.3 | 95.9 | -173 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1098 | L | 31.4 | Very low | 32.9 | Very low | 132 Ų | 132 | 109.3 Ų | 109.3 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | cis | 79.9 | 111.9 | 22.6 | -56.2 | 163.7 | 0 | 0 | 0 | 117.9 | ||||
| 1099 | K | 28.8 | Very low | 32.7 | Very low | 183 Ų | 183 | 114.8 Ų | 114.8 | 80% | 0.796 | 65% | 0.652 | S | S | * | * | trans | 51.5 | 107.8 | 131.8 | -58 | 175.9 | -178.8 | 176 | 0 | 119.9 | ||||
| 1100 | T | 28.1 | Very low | 32.4 | Very low | 142 Ų | 142 | 115.9 Ų | 115.9 | 87% | 0.871 | 67% | 0.667 | S | S | * | * | trans | 177.8 | 144.5 | 136.2 | 21.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1101 | S | 31.2 | Very low | 31.9 | Very low | 88 Ų | 88 | 117.8 Ų | 117.8 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | cis | -163.7 | 147.5 | -21.4 | 46.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1102 | H | 33.9 | Very low | 31.7 | Very low | 177 Ų | 177 | 121.9 Ų | 121.9 | 82% | 0.819 | 71% | 0.708 | S | S | * | * | trans | 65.8 | 144.6 | 167.5 | -58.5 | -61 | 0 | 0 | 0 | 118.3 | ||||
| 1103 | T | 30.9 | Very low | 31.4 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | cis | -144.7 | 143.7 | -1.3 | 39.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1104 | K | 31.6 | Very low | 31.1 | Very low | 176 Ų | 176 | 127.5 Ų | 127.5 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | trans | 47.8 | 136.6 | 136.8 | -67 | -164 | 159.1 | -148.7 | 0 | 121.1 | ||||
| 1105 | D | 32.1 | Very low | 31.1 | Very low | 122 Ų | 122 | 131 Ų | 131 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | cis | -155.9 | 161.1 | 9.1 | -91.1 | -34.2 | 0 | 0 | 0 | 111.1 | ||||
| 1106 | S | 33.3 | Very low | 31.2 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 59.1 | 139.9 | 157.3 | 57.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1107 | T | 33.2 | Very low | 31.3 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | -160.4 | 154.7 | -13.6 | 13 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1108 | S | 29.7 | Very low | 31.4 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 40.7 | 97.7 | 159.2 | 56.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1109 | D | 35.1 | Very low | 31.8 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | -165.7 | 121.8 | 99.2 | -93.7 | -16.5 | 0 | 0 | 0 | 110.7 | |||||
| 1110 | T | 35.8 | Very low | 32.1 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 86% | 0.859 | 72% | 0.72 | S | S | * | * | trans | -151.1 | 88.5 | -169.3 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1111 | S | 26.2 | Very low | 32.7 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | trans | -171.7 | 128.5 | 154.6 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1112 | L | 28.4 | Very low | 33.4 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -170.1 | -49.8 | 148.1 | -112.8 | 164.2 | 0 | 0 | 0 | 113.8 | T1114 | L1112-T1114 PolarHBondContact O-N 3.49Š|
| 1113 | L | 30.1 | Very low | 34 | Very low | 153 Ų | 153 | 119.5 Ų | 119.5 | 80% | 0.801 | 68% | 0.675 | S | S | * | * | trans | -104.6 | 78.5 | -173 | -70 | 173.3 | 0 | 0 | 0 | 113.3 | ||||
| 1114 | T | 29.1 | Very low | 34.5 | Very low | 146 Ų | 146 | 115.1 Ų | 115.1 | 90% | 0.896 | 65% | 0.647 | S | S | * | * | trans | -128.7 | 30.8 | 161.8 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | L1112 | L1112-T1114 PolarHBondContact O-N 3.49Š| ||
| 1115 | K | 30.9 | Very low | 35.3 | Very low | 169 Ų | 169 | 111.9 Ų | 111.9 | 74% | 0.735 | 63% | 0.634 | S | S | * | * | trans | -108.7 | 141.7 | 176.2 | -77.4 | -171 | 173 | -174.6 | 0 | 110.4 | ||||
| 1116 | T | 31.7 | Very low | 36.2 | Very low | 135 Ų | 135 | 111.4 Ų | 111.4 | 83% | 0.828 | 63% | 0.631 | S | S | * | * | trans | -81.1 | 112.5 | 173.1 | 45.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1117 | E | 32.3 | Very low | 36.9 | Very low | 150 Ų | 150 | 108.7 Ų | 108.7 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | trans | -115.3 | 112.9 | 166.4 | -75 | 164.6 | -165.7 | 0 | 0 | 105.7 | ||||
| 1118 | N | 36 | Very low | 37.5 | Very low | 73 Ų | 73 | 103.5 Ų | 103.5 | 39% | 0.39 | 58% | 0.576 | S | S | . | * | trans | -70 | 150.6 | 173.9 | -61.6 | -9.7 | 0 | 0 | 0 | 108.2 | P1087 W1120 | P1087-N1118 HydrophobicContact CB-CB 4.3Å; P1087-N1118 HydrophobicContact CG-CB 4.29Å; N1118-W1120 WeakPolarHBondContact CB-O 3.16Å; N1118-W1120 PolarHBondContact O-N 2.79Å | ||
| 1119 | V | 39.2 | Very low | 38.6 | Very low | 90 Ų | 90 | 102.7 Ų | 102.7 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -68.9 | -27.3 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | I1090 | I1090-V1119 HydrophobicContact CD1-CB 4.47Å; I1090-V1119 HydrophobicContact CD1-CG2 3.82Å |
| 1120 | W | 35.8 | Very low | 39.4 | Very low | 67 Ų | 67 | 97.1 Ų | 97.1 | 25% | 0.254 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -130.6 | 117.3 | 163.5 | -72 | 54.9 | 0 | 0 | 0 | 106.1 | A1082 A1083 N1118 D1124 A1128 | A1082-W1120 HydrophobicContact CB-CH2 4.41Å; A1082-W1120 HydrophobicContact CB-CZ2 4.15Å; A1083-W1120 HydrophobicContact CB-CE3 4.21Å; A1083-W1120 HydrophobicContact CB-CH2 4Å; A1083-W1120 HydrophobicContact CB-CZ3 3.74Å; N1118-W1120 WeakPolarHBondContact CB-O 3.16Å; N1118-W1120 PolarHBondContact O-N 2.79Å; W1120-D1124 HydrophobicContact CB-CB 4.15Å; W1120-D1124 HydrophobicContact CD2-CB 4.46Å; W1120-D1124 HydrophobicContact CE3-CB 4.09Å; W1120-A1128 HydrophobicContact CH2-CB 4.23Å; W1120-A1128 HydrophobicContact CZ3-CB 3.65Å |
| 1121 | S | 41.3 | Very low | 40 | Very low | 43 Ų | 43 | 91.3 Ų | 91.3 | 30% | 0.301 | 50% | 0.502 | S | S | . | . | trans | -67.9 | 164 | 170 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | A1123 D1124 E1125 | S1121-A1123 PolarHBondContact O-N 3.32Å; S1121-A1123 VanDerWaalsContact O-N 3.09Å; S1121-A1123 PolarHBondContact OG-N 3.31Å; S1121-D1124 WeakPolarHBondContact CA-OD2 3.43Å; S1121-D1124 WeakPolarHBondContact CB-OD2 3.32Å; S1121-D1124 PolarHBondContact N-OD2 3.1Å; S1121-D1124 PolarHBondContact O-N 3.31Å; S1121-D1124 PolarHBondContact OG-N 3.46Å; S1121-D1124 PolarHBondContact OG-OD2 3.01Å; S1121-E1125 PolarHBondContact O-N 2.65Å | ||
| 1122 | D | 44.5 | Very low | 41.2 | Very low | 116 Ų | 116 | 87.1 Ų | 87.1 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -54.3 | -28 | 172.5 | -55.5 | 27.7 | 0 | 0 | 0 | 111.5 | I1126 | D1122-I1126 WeakPolarHBondContact O-CB 3.47Å; D1122-I1126 VanDerWaalsContact O-CD1 3.28Å; D1122-I1126 WeakPolarHBondContact O-CD1 3.43Å; D1122-I1126 WeakPolarHBondContact O-CG1 3.47Å; D1122-I1126 PolarHBondContact O-N 2.97Å; D1122-I1126 VanDerWaalsContact O-N 3.16Å |
| 1123 | A | 46.5 | Very low | 42.3 | Very low | 51 Ų | 51 | 85.3 Ų | 85.3 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73 | -40.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1121 E1125 I1126 E1127 | S1121-A1123 PolarHBondContact O-N 3.32Å; S1121-A1123 VanDerWaalsContact O-N 3.09Å; S1121-A1123 PolarHBondContact OG-N 3.31Å; A1123-E1125 PolarHBondContact O-N 2.81Å; A1123-I1126 CarbonylContact O-C 3.59Å; A1123-I1126 WeakPolarHBondContact O-CA 3.48Å; A1123-I1126 WeakPolarHBondContact O-CB 3.49Å; A1123-I1126 PolarHBondContact O-N 2.86Å; A1123-E1127 WeakPolarHBondContact O-CB 3.28Å; A1123-E1127 WeakPolarHBondContact O-CG 3.49Å; A1123-E1127 PolarHBondContact O-N 2.77Å |
| 1124 | D | 42.8 | Very low | 43.4 | Very low | 24 Ų | 24 | 79.8 Ų | 79.8 | 13% | 0.128 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.1 | -35.2 | 179.4 | -50.8 | -49.6 | 0 | 0 | 0 | 111.7 | W1120 S1121 E1127 A1128 Q1292 | W1120-D1124 HydrophobicContact CB-CB 4.15Å; W1120-D1124 HydrophobicContact CD2-CB 4.46Å; W1120-D1124 HydrophobicContact CE3-CB 4.09Å; S1121-D1124 WeakPolarHBondContact CA-OD2 3.43Å; S1121-D1124 WeakPolarHBondContact CB-OD2 3.32Å; S1121-D1124 PolarHBondContact N-OD2 3.1Å; S1121-D1124 PolarHBondContact O-N 3.31Å; S1121-D1124 PolarHBondContact OG-N 3.46Å; S1121-D1124 PolarHBondContact OG-OD2 3.01Å; D1124-E1127 PolarHBondContact O-N 2.66Å; D1124-A1128 PolarHBondContact O-N 2.84Å; D1124-A1128 VanDerWaalsContact O-N 3.08Å; D1124-Q1292 PolarHBondContact OD1-NE2 2.94Å |
| 1125 | E | 46.7 | Very low | 44.5 | Very low | 108 Ų | 108 | 75.3 Ų | 75.3 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.2 | -43.2 | 170.4 | -171.2 | 176.7 | -168.6 | 0 | 0 | 111.1 | S1121 A1123 E1127 I1129 | S1121-E1125 PolarHBondContact O-N 2.65Å; A1123-E1125 PolarHBondContact O-N 2.81Å; E1125-E1127 VanDerWaalsContact C-N 3.31Å; E1125-E1127 PolarHBondContact O-N 2.83Å; E1125-I1129 HydrophobicContact CG-CD1 4.09Å; E1125-I1129 WeakPolarHBondContact O-CB 3.18Å; E1125-I1129 WeakPolarHBondContact O-CD1 3.31Å; E1125-I1129 VanDerWaalsContact O-CG1 3.24Å; E1125-I1129 WeakPolarHBondContact O-CG1 3.35Å; E1125-I1129 PolarHBondContact O-N 3.09Å |
| 1126 | I | 51.2 | Low | 45.7 | Very low | 112 Ų | 112 | 70.4 Ų | 70.4 | 57% | 0.574 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.1 | -35.1 | 173 | -73.7 | 167.1 | 0 | 0 | 0 | 111.6 | D1122 A1123 S1130 | D1122-I1126 WeakPolarHBondContact O-CB 3.47Å; D1122-I1126 VanDerWaalsContact O-CD1 3.28Å; D1122-I1126 WeakPolarHBondContact O-CD1 3.43Å; D1122-I1126 WeakPolarHBondContact O-CG1 3.47Å; D1122-I1126 PolarHBondContact O-N 2.97Å; D1122-I1126 VanDerWaalsContact O-N 3.16Å; A1123-I1126 CarbonylContact O-C 3.59Å; A1123-I1126 WeakPolarHBondContact O-CA 3.48Å; A1123-I1126 WeakPolarHBondContact O-CB 3.49Å; A1123-I1126 PolarHBondContact O-N 2.86Å; I1126-S1130 WeakPolarHBondContact O-CB 3.41Å; I1126-S1130 PolarHBondContact O-N 2.82Å |
| 1127 | E | 48 | Very low | 46.7 | Very low | 48 Ų | 48 | 67.4 Ų | 67.4 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.6 | -44.3 | 179 | -81.9 | -179.3 | -160.6 | 0 | 0 | 112.2 | A1123 D1124 E1125 S1130 C1131 Q1292 L1296 | A1123-E1127 WeakPolarHBondContact O-CB 3.28Å; A1123-E1127 WeakPolarHBondContact O-CG 3.49Å; A1123-E1127 PolarHBondContact O-N 2.77Å; D1124-E1127 PolarHBondContact O-N 2.66Å; E1125-E1127 VanDerWaalsContact C-N 3.31Å; E1125-E1127 PolarHBondContact O-N 2.83Å; E1127-S1130 CarbonylContact O-C 3.28Å; E1127-S1130 WeakPolarHBondContact O-CB 3.41Å; E1127-S1130 PolarHBondContact O-N 2.94Å; E1127-C1131 PolarHBondContact O-N 2.88Å; E1127-C1131 PolarHBondContact O-SG 3.34Å; E1127-Q1292 PolarHBondContact OE2-NE2 3.37Å; E1127-L1296 HydrophobicContact CB-CD1 3.82Å; E1127-L1296 HydrophobicContact CG-CD1 3.59Å; E1127-L1296 HydrophobicContact CG-CD2 3.86Å; E1127-L1296 HydrophobicContact CG-CG 4.33Å; E1127-L1296 WeakPolarHBondContact OE1-CD2 3.47Å |
| 1128 | A | 47.2 | Very low | 47.7 | Very low | 16 Ų | 16 | 61.2 Ų | 61.2 | 13% | 0.132 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.6 | -35.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1120 D1124 C1131 V1132 | W1120-A1128 HydrophobicContact CH2-CB 4.23Å; W1120-A1128 HydrophobicContact CZ3-CB 3.65Å; D1124-A1128 PolarHBondContact O-N 2.84Å; D1124-A1128 VanDerWaalsContact O-N 3.08Å; A1128-C1131 PolarHBondContact O-N 3.31Å; A1128-V1132 WeakPolarHBondContact O-CG2 3.43Å; A1128-V1132 PolarHBondContact O-N 3.21Å; A1128-V1132 VanDerWaalsContact O-N 3.1Å |
| 1129 | I | 52.2 | Low | 48.6 | Very low | 81 Ų | 81 | 61.8 Ų | 61.8 | 42% | 0.415 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 169.2 | -69.7 | 167.7 | 0 | 0 | 0 | 110 | E1125 C1131 V1132 E1133 | E1125-I1129 HydrophobicContact CG-CD1 4.09Å; E1125-I1129 WeakPolarHBondContact O-CB 3.18Å; E1125-I1129 WeakPolarHBondContact O-CD1 3.31Å; E1125-I1129 VanDerWaalsContact O-CG1 3.24Å; E1125-I1129 WeakPolarHBondContact O-CG1 3.35Å; E1125-I1129 PolarHBondContact O-N 3.09Å; I1129-C1131 PolarHBondContact O-N 2.84Å; I1129-V1132 CarbonylContact O-C 3.53Å; I1129-V1132 WeakPolarHBondContact O-CB 3.3Å; I1129-V1132 PolarHBondContact O-N 3.42Å; I1129-E1133 HydrophobicContact CG2-CG 4.21Å; I1129-E1133 WeakPolarHBondContact O-CB 3.44Å; I1129-E1133 WeakPolarHBondContact O-CG 3.49Å; I1129-E1133 PolarHBondContact O-N 3.42Å |
| 1130 | S | 50.7 | Low | 49.3 | Very low | 43 Ų | 43 | 60.9 Ų | 60.9 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | I1126 E1127 V1132 E1133 M1134 | I1126-S1130 WeakPolarHBondContact O-CB 3.41Å; I1126-S1130 PolarHBondContact O-N 2.82Å; E1127-S1130 CarbonylContact O-C 3.28Å; E1127-S1130 WeakPolarHBondContact O-CB 3.41Å; E1127-S1130 PolarHBondContact O-N 2.94Å; S1130-V1132 PolarHBondContact O-N 3.08Å; S1130-E1133 CarbonylContact O-C 3.53Å; S1130-E1133 PolarHBondContact O-N 3.19Å; S1130-M1134 VanDerWaalsContact O-CB 3.28Å; S1130-M1134 WeakPolarHBondContact O-CB 3.26Å; S1130-M1134 VanDerWaalsContact O-CG 3.29Å; S1130-M1134 WeakPolarHBondContact O-CG 3.3Å; S1130-M1134 PolarHBondContact O-N 3.04Å |
| 1131 | C | 48.2 | Very low | 50 | Low | 18 Ų | 18 | 60.7 Ų | 60.7 | 12% | 0.122 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 173.5 | -66 | 0 | 0 | 0 | 0 | 111.7 | E1127 A1128 I1129 L1135 L1299 | E1127-C1131 PolarHBondContact O-N 2.88Å; E1127-C1131 PolarHBondContact O-SG 3.34Å; A1128-C1131 PolarHBondContact O-N 3.31Å; I1129-C1131 PolarHBondContact O-N 2.84Å; C1131-L1135 WeakPolarHBondContact O-CB 3.3Å; C1131-L1135 WeakPolarHBondContact O-CG 3.19Å; C1131-L1135 PolarHBondContact O-N 2.64Å; C1131-L1299 HydrophobicContact CB-CD1 4.29Å; C1131-L1299 VanDerWaalsContact SG-CD1 3.53Å |
| 1132 | V | 51.4 | Low | 50.3 | Low | 28 Ų | 28 | 61.8 Ų | 61.8 | 17% | 0.17 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 174 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | Y1076 L1079 A1128 I1129 S1130 L1135 T1136 | Y1076-V1132 HydrophobicContact CD2-CB 4.48Å; Y1076-V1132 HydrophobicContact CD2-CG1 3.64Å; Y1076-V1132 HydrophobicContact CD2-CG2 3.98Å; Y1076-V1132 HydrophobicContact CE2-CG1 4Å; L1079-V1132 HydrophobicContact CD1-CG2 3.92Å; A1128-V1132 WeakPolarHBondContact O-CG2 3.43Å; A1128-V1132 PolarHBondContact O-N 3.21Å; A1128-V1132 VanDerWaalsContact O-N 3.1Å; I1129-V1132 CarbonylContact O-C 3.53Å; I1129-V1132 WeakPolarHBondContact O-CB 3.3Å; I1129-V1132 PolarHBondContact O-N 3.42Å; S1130-V1132 PolarHBondContact O-N 3.08Å; V1132-L1135 PolarHBondContact O-N 3.05Å; V1132-T1136 VanDerWaalsContact O-CB 3.28Å; V1132-T1136 WeakPolarHBondContact O-CB 3.09Å; V1132-T1136 PolarHBondContact O-N 3.24Å; V1132-T1136 PolarHBondContact O-OG1 2.89Å |
| 1133 | E | 53 | Low | 50.7 | Low | 121 Ų | 121 | 62.8 Ų | 62.8 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.7 | -34.2 | 177.9 | -73.9 | -172.8 | 157.4 | 0 | 0 | 111.6 | I1129 S1130 T1136 T1137 | I1129-E1133 HydrophobicContact CG2-CG 4.21Å; I1129-E1133 WeakPolarHBondContact O-CB 3.44Å; I1129-E1133 WeakPolarHBondContact O-CG 3.49Å; I1129-E1133 PolarHBondContact O-N 3.42Å; S1130-E1133 CarbonylContact O-C 3.53Å; S1130-E1133 PolarHBondContact O-N 3.19Å; E1133-T1136 PolarHBondContact O-N 2.96Å; E1133-T1137 WeakPolarHBondContact O-CA 3.27Å; E1133-T1137 WeakPolarHBondContact O-CB 3.49Å; E1133-T1137 PolarHBondContact O-N 2.79Å; E1133-T1137 PolarHBondContact O-OG1 2.89Å |
| 1134 | M | 52.8 | Low | 50.9 | Low | 37 Ų | 37 | 63.7 Ų | 63.7 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69 | -41.2 | 171.1 | -77.4 | -172.5 | -67.4 | 0 | 0 | 111.9 | S1130 T1136 G1138 L1299 N1303 | S1130-M1134 VanDerWaalsContact O-CB 3.28Å; S1130-M1134 WeakPolarHBondContact O-CB 3.26Å; S1130-M1134 VanDerWaalsContact O-CG 3.29Å; S1130-M1134 WeakPolarHBondContact O-CG 3.3Å; S1130-M1134 PolarHBondContact O-N 3.04Å; M1134-T1136 VanDerWaalsContact C-N 3.35Å; M1134-G1138 VanDerWaalsContact O-CA 3.26Å; M1134-G1138 WeakPolarHBondContact O-CA 3.37Å; M1134-G1138 PolarHBondContact O-N 2.85Å; M1134-L1299 HydrophobicContact CE-CB 3.93Å; M1134-L1299 HydrophobicContact CE-CD1 4.32Å; M1134-N1303 HydrophobicContact SD-CB 3.75Å |
| 1135 | L | 51.5 | Low | 51 | Low | 51 Ų | 51 | 63.4 Ų | 63.4 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 173.4 | -73.6 | 169 | 0 | 0 | 0 | 112.1 | L1057 L1072 V1075 C1131 V1132 R1139 | L1057-L1135 HydrophobicContact CD2-CD2 4.15Å; L1072-L1135 HydrophobicContact CD2-CB 4.1Å; V1075-L1135 HydrophobicContact CG1-CD1 4.38Å; C1131-L1135 WeakPolarHBondContact O-CB 3.3Å; C1131-L1135 WeakPolarHBondContact O-CG 3.19Å; C1131-L1135 PolarHBondContact O-N 2.64Å; V1132-L1135 PolarHBondContact O-N 3.05Å; L1135-R1139 WeakPolarHBondContact O-CB 3.31Å; L1135-R1139 PolarHBondContact O-N 2.88Å |
| 1136 | T | 56.1 | Low | 51 | Low | 67 Ų | 67 | 64 Ų | 64 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -78.7 | -38 | 179.7 | -52.8 | 0 | 0 | 0 | 0 | 112.3 | V1132 E1133 M1134 R1139 S1140 | V1132-T1136 VanDerWaalsContact O-CB 3.28Å; V1132-T1136 WeakPolarHBondContact O-CB 3.09Å; V1132-T1136 PolarHBondContact O-N 3.24Å; V1132-T1136 PolarHBondContact O-OG1 2.89Å; E1133-T1136 PolarHBondContact O-N 2.96Å; M1134-T1136 VanDerWaalsContact C-N 3.35Å; T1136-R1139 WeakPolarHBondContact O-CB 3.22Å; T1136-S1140 WeakPolarHBondContact O-CB 3.34Å; T1136-S1140 PolarHBondContact O-N 2.89Å |
| 1137 | T | 53.4 | Low | 50.8 | Low | 71 Ų | 71 | 66.6 Ų | 66.6 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74 | -39.6 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 110 | E1133 S1140 L1141 | E1133-T1137 WeakPolarHBondContact O-CA 3.27Å; E1133-T1137 WeakPolarHBondContact O-CB 3.49Å; E1133-T1137 PolarHBondContact O-N 2.79Å; E1133-T1137 PolarHBondContact O-OG1 2.89Å; T1137-S1140 WeakPolarHBondContact O-CB 3.26Å; T1137-S1140 PolarHBondContact O-N 3.31Å; T1137-S1140 VanDerWaalsContact O-N 3.16Å; T1137-L1141 HydrophobicContact CG2-CD1 3.81Å; T1137-L1141 HydrophobicContact CG2-CG 4.32Å; T1137-L1141 VanDerWaalsContact O-CB 3.29Å; T1137-L1141 WeakPolarHBondContact O-CB 3.24Å; T1137-L1141 VanDerWaalsContact O-CG 3.24Å; T1137-L1141 WeakPolarHBondContact O-CG 3.29Å; T1137-L1141 PolarHBondContact O-N 3.03Å |
| 1138 | G | 53.7 | Low | 50.6 | Low | 21 Ų | 21 | 70.4 Ų | 70.4 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1134 S1140 L1141 L1142 | M1134-G1138 VanDerWaalsContact O-CA 3.26Å; M1134-G1138 WeakPolarHBondContact O-CA 3.37Å; M1134-G1138 PolarHBondContact O-N 2.85Å; G1138-S1140 PolarHBondContact O-N 2.89Å; G1138-L1141 PolarHBondContact O-N 3.28Å; G1138-L1142 WeakPolarHBondContact O-CB 3.06Å; G1138-L1142 WeakPolarHBondContact O-CG 3.38Å; G1138-L1142 PolarHBondContact O-N 2.84Å |
| 1139 | R | 54.3 | Low | 50.2 | Low | 84 Ų | 84 | 71.1 Ų | 71.1 | 32% | 0.317 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -51.2 | -51.1 | 168 | 167.7 | -141.2 | 171.7 | 123.9 | 10.6 | 111.7 | F1061 D1069 L1072 L1135 T1136 L1142 Y1143 | F1061-R1139 HydrophobicContact CE1-CB 4.16Å; F1061-R1139 HydrophobicContact CE1-CG 3.9Å; F1061-R1139 HydrophobicContact CZ-CB 4.06Å; F1061-R1139 HydrophobicContact CZ-CG 4.31Å; D1069-R1139 IonicContact OD1-CZ 2.63Å; D1069-R1139 IonicContact OD1-NH1 3.92Å; D1069-R1139 PolarHBondContact OD1-NH1 2.84Å; D1069-R1139 IonicContact OD1-NH2 2.68Å; D1069-R1139 PolarHBondContact OD1-NH2 3.1Å; D1069-R1139 IonicContact OD2-NH2 3.71Å; D1069-R1139 PolarHBondContact OD2-NH2 3.42Å; L1072-R1139 HydrophobicContact CD1-CB 4.11Å; L1072-R1139 HydrophobicContact CD1-CG 3.94Å; L1135-R1139 WeakPolarHBondContact O-CB 3.31Å; L1135-R1139 PolarHBondContact O-N 2.88Å; T1136-R1139 WeakPolarHBondContact O-CB 3.22Å; R1139-L1142 PolarHBondContact O-N 2.69Å; R1139-Y1143 VanDerWaalsContact O-CB 3.27Å; R1139-Y1143 WeakPolarHBondContact O-CB 3.45Å; R1139-Y1143 PolarHBondContact O-N 2.9Å |
| 1140 | S | 53.6 | Low | 49.8 | Very low | 71 Ų | 71 | 75.1 Ų | 75.1 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | -178.6 | -168.9 | 0 | 0 | 0 | 0 | 112.1 | T1136 T1137 G1138 Y1143 E1144 | T1136-S1140 WeakPolarHBondContact O-CB 3.34Å; T1136-S1140 PolarHBondContact O-N 2.89Å; T1137-S1140 WeakPolarHBondContact O-CB 3.26Å; T1137-S1140 PolarHBondContact O-N 3.31Å; T1137-S1140 VanDerWaalsContact O-N 3.16Å; G1138-S1140 PolarHBondContact O-N 2.89Å; S1140-Y1143 PolarHBondContact O-N 3.4Å; S1140-E1144 WeakPolarHBondContact O-CB 3.21Å; S1140-E1144 PolarHBondContact O-N 3.08Å |
| 1141 | L | 51.4 | Low | 49.5 | Very low | 63 Ų | 63 | 74.4 Ų | 74.4 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 176.8 | -73.8 | 164.7 | 0 | 0 | 0 | 112.1 | T1137 G1138 A1145 L1310 | T1137-L1141 HydrophobicContact CG2-CD1 3.81Å; T1137-L1141 HydrophobicContact CG2-CG 4.32Å; T1137-L1141 VanDerWaalsContact O-CB 3.29Å; T1137-L1141 WeakPolarHBondContact O-CB 3.24Å; T1137-L1141 VanDerWaalsContact O-CG 3.24Å; T1137-L1141 WeakPolarHBondContact O-CG 3.29Å; T1137-L1141 PolarHBondContact O-N 3.03Å; G1138-L1141 PolarHBondContact O-N 3.28Å; L1141-A1145 WeakPolarHBondContact O-CA 3.41Å; L1141-A1145 WeakPolarHBondContact O-CB 3.42Å; L1141-A1145 PolarHBondContact O-N 3.4Å; L1141-L1310 HydrophobicContact CD1-CD1 3.66Å; L1141-L1310 HydrophobicContact CD2-CD1 3.92Å; L1141-L1310 HydrophobicContact CG-CD1 4.3Å |
| 1142 | L | 47.8 | Very low | 49.3 | Very low | 66 Ų | 66 | 76 Ų | 76 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.9 | -35.3 | 175.7 | -74.9 | 167.8 | 0 | 0 | 0 | 111.8 | M1058 F1061 G1138 R1139 F1146 | M1058-L1142 HydrophobicContact CE-CD2 3.84Å; M1058-L1142 HydrophobicContact SD-CD1 3.51Å; M1058-L1142 VanDerWaalsContact SD-CD1 3.51Å; M1058-L1142 HydrophobicContact SD-CD2 3.51Å; M1058-L1142 VanDerWaalsContact SD-CD2 3.51Å; M1058-L1142 HydrophobicContact SD-CG 4.16Å; F1061-L1142 HydrophobicContact CD2-CD1 4.46Å; G1138-L1142 WeakPolarHBondContact O-CB 3.06Å; G1138-L1142 WeakPolarHBondContact O-CG 3.38Å; G1138-L1142 PolarHBondContact O-N 2.84Å; R1139-L1142 PolarHBondContact O-N 2.69Å; L1142-F1146 WeakPolarHBondContact O-CB 3.29Å; L1142-F1146 PolarHBondContact O-N 2.77Å |
| 1143 | Y | 52.6 | Low | 48.9 | Very low | 137 Ų | 137 | 82.5 Ų | 82.5 | 54% | 0.537 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -74.4 | -42.8 | 177.4 | -154.8 | -90 | 0 | 0 | 0 | 111.6 | R1139 S1140 R1147 | R1139-Y1143 VanDerWaalsContact O-CB 3.27Å; R1139-Y1143 WeakPolarHBondContact O-CB 3.45Å; R1139-Y1143 PolarHBondContact O-N 2.9Å; S1140-Y1143 PolarHBondContact O-N 3.4Å; Y1143-R1147 VanDerWaalsContact O-CB 3.3Å; Y1143-R1147 WeakPolarHBondContact O-CB 3.46Å; Y1143-R1147 PolarHBondContact O-N 3.04Å |
| 1144 | E | 49.7 | Very low | 48.5 | Very low | 70 Ų | 70 | 80.1 Ų | 80.1 | 33% | 0.327 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 168.6 | -83.1 | -66.4 | 156.9 | 0 | 0 | 111.4 | S1140 R1147 L1148 | S1140-E1144 WeakPolarHBondContact O-CB 3.21Å; S1140-E1144 PolarHBondContact O-N 3.08Å; E1144-R1147 VanDerWaalsContact CD-CZ 3.49Å; E1144-R1147 CarbonylContact O-C 3.59Å; E1144-R1147 PolarHBondContact O-N 3.41Å; E1144-R1147 IonicContact OE1-CZ 3.21Å; E1144-R1147 IonicContact OE1-NH1 3.33Å; E1144-R1147 PolarHBondContact OE1-NH1 3.14Å; E1144-R1147 IonicContact OE1-NH2 3.3Å; E1144-R1147 PolarHBondContact OE1-NH2 2.95Å; E1144-R1147 IonicContact OE2-CZ 2.69Å; E1144-R1147 VanDerWaalsContact OE2-CZ 3.29Å; E1144-R1147 IonicContact OE2-NE 3.42Å; E1144-R1147 IonicContact OE2-NH1 3.36Å; E1144-R1147 IonicContact OE2-NH2 3.98Å; E1144-R1147 PolarHBondContact OE2-NH2 2.86Å; E1144-L1148 HydrophobicContact CB-CD1 4.33Å; E1144-L1148 VanDerWaalsContact O-CB 3.22Å; E1144-L1148 WeakPolarHBondContact O-CB 3.42Å; E1144-L1148 WeakPolarHBondContact O-CD1 3.5Å; E1144-L1148 WeakPolarHBondContact O-CG 3.2Å; E1144-L1148 PolarHBondContact O-N 3.16Å |
| 1145 | A | 45.4 | Very low | 48.1 | Very low | 19 Ų | 19 | 85.3 Ų | 85.3 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.4 | -55.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1141 R1147 L1148 I1149 | L1141-A1145 WeakPolarHBondContact O-CA 3.41Å; L1141-A1145 WeakPolarHBondContact O-CB 3.42Å; L1141-A1145 PolarHBondContact O-N 3.4Å; A1145-R1147 PolarHBondContact O-N 3.37Å; A1145-L1148 CarbonylContact O-C 3.42Å; A1145-L1148 PolarHBondContact O-N 2.74Å; A1145-I1149 HydrophobicContact CB-CD1 3.93Å; A1145-I1149 HydrophobicContact CB-CG1 4.5Å; A1145-I1149 WeakPolarHBondContact O-CA 3.38Å; A1145-I1149 WeakPolarHBondContact O-CB 3.32Å; A1145-I1149 VanDerWaalsContact O-CG1 3.22Å; A1145-I1149 WeakPolarHBondContact O-CG1 3.3Å; A1145-I1149 PolarHBondContact O-N 3.33Å |
| 1146 | F | 47.6 | Very low | 47.6 | Very low | 120 Ų | 120 | 85.1 Ų | 85.1 | 53% | 0.526 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -32.1 | 179.1 | -163.6 | -98.1 | 0 | 0 | 0 | 112.6 | V1062 L1142 | V1062-F1146 HydrophobicContact CB-CE2 4.33Å; V1062-F1146 HydrophobicContact CB-CZ 4.47Å; V1062-F1146 HydrophobicContact CG1-CE2 3.7Å; V1062-F1146 HydrophobicContact CG1-CZ 3.64Å; V1062-F1146 HydrophobicContact CG2-CD2 3.89Å; V1062-F1146 HydrophobicContact CG2-CE2 3.66Å; V1062-F1146 HydrophobicContact CG2-CZ 4.19Å; L1142-F1146 WeakPolarHBondContact O-CB 3.29Å; L1142-F1146 PolarHBondContact O-N 2.77Å |
| 1147 | R | 47.3 | Very low | 46.9 | Very low | 166 Ų | 166 | 86.6 Ų | 86.6 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -76.9 | -21.9 | 173.7 | -152.1 | -171.6 | 73.9 | -148.2 | -5.1 | 114.1 | Y1143 E1144 A1145 | Y1143-R1147 VanDerWaalsContact O-CB 3.3Å; Y1143-R1147 WeakPolarHBondContact O-CB 3.46Å; Y1143-R1147 PolarHBondContact O-N 3.04Å; E1144-R1147 VanDerWaalsContact CD-CZ 3.49Å; E1144-R1147 CarbonylContact O-C 3.59Å; E1144-R1147 PolarHBondContact O-N 3.41Å; E1144-R1147 IonicContact OE1-CZ 3.21Å; E1144-R1147 IonicContact OE1-NH1 3.33Å; E1144-R1147 PolarHBondContact OE1-NH1 3.14Å; E1144-R1147 IonicContact OE1-NH2 3.3Å; E1144-R1147 PolarHBondContact OE1-NH2 2.95Å; E1144-R1147 IonicContact OE2-CZ 2.69Å; E1144-R1147 VanDerWaalsContact OE2-CZ 3.29Å; E1144-R1147 IonicContact OE2-NE 3.42Å; E1144-R1147 IonicContact OE2-NH1 3.36Å; E1144-R1147 IonicContact OE2-NH2 3.98Å; E1144-R1147 PolarHBondContact OE2-NH2 2.86Å; A1145-R1147 PolarHBondContact O-N 3.37Å |
| 1148 | L | 42.4 | Very low | 46.5 | Very low | 129 Ų | 129 | 88.4 Ų | 88.4 | 68% | 0.675 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -100 | -23.5 | 179.5 | -70.5 | 167.1 | 0 | 0 | 0 | 113.4 | E1144 A1145 | E1144-L1148 HydrophobicContact CB-CD1 4.33Å; E1144-L1148 VanDerWaalsContact O-CB 3.22Å; E1144-L1148 WeakPolarHBondContact O-CB 3.42Å; E1144-L1148 WeakPolarHBondContact O-CD1 3.5Å; E1144-L1148 WeakPolarHBondContact O-CG 3.2Å; E1144-L1148 PolarHBondContact O-N 3.16Å; A1145-L1148 CarbonylContact O-C 3.42Å; A1145-L1148 PolarHBondContact O-N 2.74Å |
| 1149 | I | 39.5 | Very low | 45.9 | Very low | 30 Ų | 30 | 92 Ų | 92 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | trans | -122.6 | 84.5 | -161.6 | -57.2 | -175.3 | 0 | 0 | 0 | 108.9 | A1145 D1151 I1154 W1309 | A1145-I1149 HydrophobicContact CB-CD1 3.93Å; A1145-I1149 HydrophobicContact CB-CG1 4.5Å; A1145-I1149 WeakPolarHBondContact O-CA 3.38Å; A1145-I1149 WeakPolarHBondContact O-CB 3.32Å; A1145-I1149 VanDerWaalsContact O-CG1 3.22Å; A1145-I1149 WeakPolarHBondContact O-CG1 3.3Å; A1145-I1149 PolarHBondContact O-N 3.33Å; I1149-D1151 HydrophobicContact CG2-CB 3.28Å; I1149-D1151 PolarHBondContact O-N 2.88Å; I1149-I1154 HydrophobicContact CG2-CD1 4.1Å; I1149-W1309 HydrophobicContact CD1-CH2 4.16Å | ||
| 1150 | K | 43.9 | Very low | 45.2 | Very low | 166 Ų | 166 | 93.4 Ų | 93.4 | 72% | 0.722 | 43% | 0.425 | S | S | * | . | trans | -69.7 | 27.7 | 162.2 | -72.1 | -174.5 | 172.2 | -179 | 0 | 112.2 | ||||
| 1151 | D | 44.1 | Very low | 44.5 | Very low | 27 Ų | 27 | 92.2 Ų | 92.2 | 14% | 0.144 | 42% | 0.416 | C | S | . | . | trans | -79.2 | 130.2 | -166.2 | -162 | -49.1 | 0 | 0 | 0 | 112.7 | I1149 R1153 I1154 | I1149-D1151 HydrophobicContact CG2-CB 3.28Å; I1149-D1151 PolarHBondContact O-N 2.88Å; D1151-R1153 PolarHBondContact O-N 2.95Å; D1151-R1153 WeakPolarHBondContact OD1-CB 3.22Å; D1151-R1153 PolarHBondContact OD1-N 2.72Å; D1151-R1153 IonicContact OD1-NE 3.54Å; D1151-R1153 PolarHBondContact OD1-NE 2.82Å; D1151-R1153 VanDerWaalsContact OD1-NE 3.14Å; D1151-R1153 IonicContact OD1-NH2 2.71Å; D1151-R1153 IonicContact OD2-CZ 2.81Å; D1151-R1153 IonicContact OD2-NE 3.44Å; D1151-R1153 PolarHBondContact OD2-NE 2.86Å; D1151-R1153 IonicContact OD2-NH2 2.71Å; D1151-R1153 PolarHBondContact OD2-NH2 3.37Å; D1151-I1154 PolarHBondContact O-N 2.89Å | ||
| 1152 | Y | 42.9 | Very low | 43.8 | Very low | 53 Ų | 53 | 94.6 Ų | 94.6 | 21% | 0.208 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -53.5 | -31.8 | 174.6 | 159 | -96 | 0 | 0 | 0 | 114 | I1154 R1155 K1156 H1554 I1555 T1562 | Y1152-I1154 PolarHBondContact O-N 3.46Å; Y1152-R1155 CarbonylContact O-C 3.6Å; Y1152-R1155 WeakPolarHBondContact O-CA 3.38Å; Y1152-R1155 WeakPolarHBondContact O-CB 3.41Å; Y1152-R1155 PolarHBondContact O-N 3.44Å; Y1152-R1155 VanDerWaalsContact O-N 3.1Å; Y1152-K1156 PolarHBondContact O-N 3.47Å; Y1152-H1554 AromaticContact CE1-NE2 3.93Å; Y1152-H1554 HydrophobicContact CE2-CB 4.04Å; Y1152-H1554 AromaticContact CE2-CD2 3.25Å; Y1152-H1554 WeakPolarHBondContact CE2-CD2 3.22Å; Y1152-H1554 AromaticContact CE2-CG 3.8Å; Y1152-H1554 AromaticContact CE2-NE2 3.99Å; Y1152-H1554 AromaticContact CZ-CD2 3.19Å; Y1152-H1554 AromaticContact CZ-CG 3.87Å; Y1152-H1554 AromaticContact CZ-NE2 3.41Å; Y1152-H1554 PolarHBondContact OH-CD2 3.16Å; Y1152-H1554 PolarHBondContact OH-CE1 3.43Å; Y1152-H1554 PolarHBondContact OH-NE2 2.69Å; Y1152-H1554 VanDerWaalsContact OH-NE2 3.14Å; Y1152-I1555 PolarHBondContact OH-N 2.95Å; Y1152-I1555 PolarHBondContact OH-O 3.26Å; Y1152-I1555 VanDerWaalsContact OH-O 3.12Å; Y1152-T1562 HydrophobicContact CE1-CG2 3.69Å |
| 1153 | R | 44.5 | Very low | 43.4 | Very low | 163 Ų | 163 | 100 Ų | 100 | 62% | 0.615 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.9 | -33.9 | -178.2 | -71.1 | 172.1 | -72.9 | 176.3 | 0.3 | 113.4 | D1151 R1155 K1156 M1157 | D1151-R1153 PolarHBondContact O-N 2.95Å; D1151-R1153 WeakPolarHBondContact OD1-CB 3.22Å; D1151-R1153 PolarHBondContact OD1-N 2.72Å; D1151-R1153 IonicContact OD1-NE 3.54Å; D1151-R1153 PolarHBondContact OD1-NE 2.82Å; D1151-R1153 VanDerWaalsContact OD1-NE 3.14Å; D1151-R1153 IonicContact OD1-NH2 2.71Å; D1151-R1153 IonicContact OD2-CZ 2.81Å; D1151-R1153 IonicContact OD2-NE 3.44Å; D1151-R1153 PolarHBondContact OD2-NE 2.86Å; D1151-R1153 IonicContact OD2-NH2 2.71Å; D1151-R1153 PolarHBondContact OD2-NH2 3.37Å; R1153-R1155 VanDerWaalsContact C-N 3.34Å; R1153-K1156 WeakPolarHBondContact O-CB 3.34Å; R1153-K1156 PolarHBondContact O-N 3.48Å; R1153-M1157 PolarHBondContact O-N 2.88Å |
| 1154 | I | 43.4 | Very low | 42.8 | Very low | 71 Ų | 71 | 102.6 Ų | 102.6 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 172.8 | -61.5 | 177.9 | 0 | 0 | 0 | 109.9 | I1149 D1151 Y1152 M1157 W1158 | I1149-I1154 HydrophobicContact CG2-CD1 4.1Å; D1151-I1154 PolarHBondContact O-N 2.89Å; Y1152-I1154 PolarHBondContact O-N 3.46Å; I1154-M1157 PolarHBondContact O-N 2.69Å; I1154-W1158 VanDerWaalsContact O-CB 3.31Å; I1154-W1158 WeakPolarHBondContact O-CB 3.35Å; I1154-W1158 PolarHBondContact O-N 2.77Å |
| 1155 | R | 46 | Very low | 42.3 | Very low | 146 Ų | 146 | 101.8 Ų | 101.8 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.4 | -33.6 | 172.3 | -58.5 | -173 | -175.6 | -150.1 | -1.8 | 113 | Y1152 R1153 W1158 H1159 | Y1152-R1155 CarbonylContact O-C 3.6Å; Y1152-R1155 WeakPolarHBondContact O-CA 3.38Å; Y1152-R1155 WeakPolarHBondContact O-CB 3.41Å; Y1152-R1155 PolarHBondContact O-N 3.44Å; Y1152-R1155 VanDerWaalsContact O-N 3.1Å; R1153-R1155 VanDerWaalsContact C-N 3.34Å; R1155-W1158 WeakPolarHBondContact O-CB 3.07Å; R1155-W1158 PolarHBondContact O-N 2.86Å; R1155-H1159 PolarHBondContact O-CD2 3.48Å; R1155-H1159 VanDerWaalsContact O-CD2 3.23Å; R1155-H1159 PolarHBondContact O-N 2.86Å |
| 1156 | K | 40.1 | Very low | 41.9 | Very low | 47 Ų | 47 | 105.9 Ų | 105.9 | 20% | 0.204 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 173.2 | -169.9 | -170.9 | -173.9 | -158.1 | 0 | 110.6 | Y1152 R1153 W1158 H1159 L1160 H1554 T1562 | Y1152-K1156 PolarHBondContact O-N 3.47Å; R1153-K1156 WeakPolarHBondContact O-CB 3.34Å; R1153-K1156 PolarHBondContact O-N 3.48Å; K1156-W1158 VanDerWaalsContact C-N 3.31Å; K1156-W1158 PolarHBondContact O-N 2.58Å; K1156-H1159 PolarHBondContact O-N 2.89Å; K1156-L1160 HydrophobicContact CD-CD1 4.33Å; K1156-L1160 HydrophobicContact CG-CD1 4.01Å; K1156-L1160 HydrophobicContact CG-CG 4.49Å; K1156-L1160 WeakPolarHBondContact O-CG 3.49Å; K1156-L1160 PolarHBondContact O-N 2.86Å; K1156-H1554 WeakPolarHBondContact CD-NE2 3.4Å; K1156-H1554 WeakPolarHBondContact CE-NE2 3.37Å; K1156-H1554 VanDerWaalsContact CG-NE2 3.32Å; K1156-H1554 WeakPolarHBondContact CG-NE2 3.13Å; K1156-T1562 PolarHBondContact NZ-O 3.15Å |
| 1157 | M | 41.4 | Very low | 41.4 | Very low | 99 Ų | 99 | 102.5 Ų | 102.5 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 175.9 | -149.9 | 167.4 | 81.9 | 0 | 0 | 111.1 | R1153 I1154 H1159 L1160 C1161 | R1153-M1157 PolarHBondContact O-N 2.88Å; I1154-M1157 PolarHBondContact O-N 2.69Å; M1157-H1159 VanDerWaalsContact C-N 3.35Å; M1157-H1159 PolarHBondContact O-N 2.63Å; M1157-L1160 PolarHBondContact O-N 3.19Å; M1157-C1161 PolarHBondContact O-N 3.09Å; M1157-C1161 VanDerWaalsContact O-N 3.16Å; M1157-C1161 PolarHBondContact O-SG 3.26Å; M1157-C1161 VanDerWaalsContact O-SG 3.4Å |
| 1158 | W | 44.1 | Very low | 41.2 | Very low | 108 Ų | 108 | 98.6 Ų | 98.6 | 41% | 0.409 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -58.5 | -38.3 | 173.4 | -169.7 | -74 | 0 | 0 | 0 | 113.8 | V1062 T1063 I1154 R1155 K1156 | V1062-W1158 HydrophobicContact CB-CH2 3.7Å; V1062-W1158 HydrophobicContact CB-CZ3 3.68Å; V1062-W1158 HydrophobicContact CG1-CH2 3.44Å; V1062-W1158 VanDerWaalsContact CG1-CH2 3.44Å; V1062-W1158 HydrophobicContact CG1-CZ2 4.42Å; V1062-W1158 HydrophobicContact CG1-CZ3 3.57Å; V1062-W1158 HydrophobicContact CG2-CZ3 4.13Å; T1063-W1158 HydrophobicContact CG2-CH2 3.84Å; T1063-W1158 HydrophobicContact CG2-CZ2 3.96Å; I1154-W1158 VanDerWaalsContact O-CB 3.31Å; I1154-W1158 WeakPolarHBondContact O-CB 3.35Å; I1154-W1158 PolarHBondContact O-N 2.77Å; R1155-W1158 WeakPolarHBondContact O-CB 3.07Å; R1155-W1158 PolarHBondContact O-N 2.86Å; K1156-W1158 VanDerWaalsContact C-N 3.31Å; K1156-W1158 PolarHBondContact O-N 2.58Å |
| 1159 | H | 42.5 | Very low | 41.3 | Very low | 97 Ų | 97 | 95.7 Ų | 95.7 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -86.3 | -12.9 | 177.3 | -77.1 | -58.9 | 0 | 0 | 0 | 114.7 | R1155 K1156 M1157 | R1155-H1159 PolarHBondContact O-CD2 3.48Å; R1155-H1159 VanDerWaalsContact O-CD2 3.23Å; R1155-H1159 PolarHBondContact O-N 2.86Å; K1156-H1159 PolarHBondContact O-N 2.89Å; M1157-H1159 VanDerWaalsContact C-N 3.35Å; M1157-H1159 PolarHBondContact O-N 2.63Å |
| 1160 | L | 39.1 | Very low | 41.7 | Very low | 113 Ų | 113 | 98 Ų | 98 | 59% | 0.592 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -87.3 | -21.3 | 172.5 | -74.6 | 169.9 | 0 | 0 | 0 | 112.5 | K1156 M1157 | K1156-L1160 HydrophobicContact CD-CD1 4.33Å; K1156-L1160 HydrophobicContact CG-CD1 4.01Å; K1156-L1160 HydrophobicContact CG-CG 4.49Å; K1156-L1160 WeakPolarHBondContact O-CG 3.49Å; K1156-L1160 PolarHBondContact O-N 2.86Å; M1157-L1160 PolarHBondContact O-N 3.19Å |
| 1161 | C | 38.1 | Very low | 41.8 | Very low | 46 Ų | 46 | 93.5 Ų | 93.5 | 31% | 0.311 | 43% | 0.428 | S | S | . | . | trans | -96.8 | 29.1 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 113.2 | L1055 M1157 F1163 | L1055-C1161 HydrophobicContact CD1-CB 4.32Å; M1157-C1161 PolarHBondContact O-N 3.09Å; M1157-C1161 VanDerWaalsContact O-N 3.16Å; M1157-C1161 PolarHBondContact O-SG 3.26Å; M1157-C1161 VanDerWaalsContact O-SG 3.4Å; C1161-F1163 PolarHBondContact O-N 3.48Å | ||
| 1162 | D | 38.4 | Very low | 42 | Very low | 114 Ų | 114 | 92.7 Ų | 92.7 | 61% | 0.61 | 42% | 0.424 | S | S | * | . | trans | -79.3 | 55.6 | -174.8 | -160.2 | 16.7 | 0 | 0 | 0 | 113 | R1164 | D1162-R1164 PolarHBondContact O-N 2.83Å; D1162-R1164 VanDerWaalsContact O-N 3.07Å | ||
| 1163 | F | 38.2 | Very low | 42.3 | Very low | 178 Ų | 178 | 91 Ų | 91 | 78% | 0.781 | 42% | 0.423 | S | S | * | . | trans | -64.3 | 104.3 | 167.2 | -78.4 | -91.1 | 0 | 0 | 0 | 108.8 | C1161 S1165 | C1161-F1163 PolarHBondContact O-N 3.48Å; F1163-S1165 PolarHBondContact O-N 2.89Å | ||
| 1164 | R | 39.8 | Very low | 42.5 | Very low | 192 Ų | 192 | 86.5 Ų | 86.5 | 73% | 0.725 | 41% | 0.414 | S | S | * | . | trans | -61.6 | 3.9 | -176.1 | -69.9 | -177.3 | 177.8 | 161.2 | 0.8 | 115.7 | E777 D1162 N1166 | E777-R1164 IonicContact OE1-CZ 2.67Å; E777-R1164 VanDerWaalsContact OE1-CZ 3.31Å; E777-R1164 IonicContact OE1-NH1 2.65Å; E777-R1164 PolarHBondContact OE1-NH1 2.98Å; E777-R1164 IonicContact OE1-NH2 3.12Å; E777-R1164 PolarHBondContact OE1-NH2 2.92Å; D1162-R1164 PolarHBondContact O-N 2.83Å; D1162-R1164 VanDerWaalsContact O-N 3.07Å; R1164-N1166 PolarHBondContact O-N 3.04Å | ||
| 1165 | S | 38.7 | Very low | 42.7 | Very low | 53 Ų | 53 | 84.5 Ų | 84.5 | 37% | 0.371 | 40% | 0.403 | S | S | . | . | trans | -81.1 | 97 | -173.3 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | F1163 L1167 F1168 | F1163-S1165 PolarHBondContact O-N 2.89Å; S1165-L1167 PolarHBondContact O-N 2.9Å; S1165-F1168 PolarHBondContact O-N 3.12Å | ||
| 1166 | N | 38.8 | Very low | 42.9 | Very low | 105 Ų | 105 | 78.5 Ų | 78.5 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -55 | -17.5 | 165.9 | -76.7 | -44.4 | 0 | 0 | 0 | 113.2 | R1164 F1168 K1170 | R1164-N1166 PolarHBondContact O-N 3.04Å; N1166-F1168 PolarHBondContact O-N 3.42Å; N1166-K1170 WeakPolarHBondContact O-CG 3.17Å; N1166-K1170 PolarHBondContact O-N 2.85Å |
| 1167 | L | 36.7 | Very low | 43.4 | Very low | 50 Ų | 50 | 82.7 Ų | 82.7 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.3 | -43.6 | 173.6 | -85.8 | 66.2 | 0 | 0 | 0 | 113.1 | S951 S1165 E1169 K1170 H1171 | S951-L1167 WeakPolarHBondContact OG-CD2 3.38Å; S1165-L1167 PolarHBondContact O-N 2.9Å; L1167-E1169 PolarHBondContact O-N 3.23Å; L1167-K1170 WeakPolarHBondContact O-CB 3.18Å; L1167-K1170 PolarHBondContact O-N 2.91Å; L1167-H1171 PolarHBondContact O-N 3.36Å |
| 1168 | F | 42.6 | Very low | 43.7 | Very low | 83 Ų | 83 | 81.6 Ų | 81.6 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.5 | -38.8 | -169.1 | -130.2 | -77.1 | 0 | 0 | 0 | 112.5 | T1052 S1165 N1166 H1171 I1172 | T1052-F1168 HydrophobicContact CG2-CD1 3.79Å; T1052-F1168 HydrophobicContact CG2-CE1 3.49Å; T1052-F1168 VanDerWaalsContact CG2-CE1 3.49Å; T1052-F1168 HydrophobicContact CG2-CE2 4.37Å; T1052-F1168 HydrophobicContact CG2-CG 4.34Å; T1052-F1168 HydrophobicContact CG2-CZ 3.81Å; S1165-F1168 PolarHBondContact O-N 3.12Å; N1166-F1168 PolarHBondContact O-N 3.42Å; F1168-H1171 PolarHBondContact O-N 2.77Å; F1168-I1172 HydrophobicContact CD1-CD1 4.04Å; F1168-I1172 HydrophobicContact CD1-CG1 4.47Å; F1168-I1172 HydrophobicContact CE1-CD1 4.35Å; F1168-I1172 PolarHBondContact O-N 3.3Å; F1168-I1172 VanDerWaalsContact O-N 3.1Å |
| 1169 | E | 45 | Very low | 43.8 | Very low | 68 Ų | 68 | 78 Ų | 78 | 32% | 0.318 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 176 | -164.7 | 160.3 | -116.7 | 0 | 0 | 111.5 | R1059 L1167 G1173 | R1059-E1169 IonicContact CZ-OE1 2.66Å; R1059-E1169 IonicContact CZ-OE2 3.55Å; R1059-E1169 IonicContact NE-OE1 3.51Å; R1059-E1169 PolarHBondContact NE-OE1 2.8Å; R1059-E1169 IonicContact NE-OE2 3.67Å; R1059-E1169 VanDerWaalsContact NH2-CD 3.3Å; R1059-E1169 IonicContact NH2-OE1 3.53Å; R1059-E1169 PolarHBondContact NH2-OE1 3.17Å; R1059-E1169 IonicContact NH2-OE2 3.01Å; R1059-E1169 PolarHBondContact NH2-OE2 3.25Å; L1167-E1169 PolarHBondContact O-N 3.23Å; E1169-G1173 PolarHBondContact O-N 3.04Å; E1169-G1173 VanDerWaalsContact O-N 3.08Å |
| 1170 | K | 46.9 | Very low | 43.9 | Very low | 80 Ų | 80 | 79.6 Ų | 79.6 | 35% | 0.348 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.4 | -45.6 | 169.9 | -65.5 | 170.7 | -172.1 | 179.4 | 0 | 111.9 | D949 N1166 L1167 G1173 V1174 | D949-K1170 WeakPolarHBondContact OD1-CD 3.42Å; D949-K1170 WeakPolarHBondContact OD1-CE 3.21Å; D949-K1170 IonicContact OD1-NZ 3.21Å; D949-K1170 PolarHBondContact OD1-NZ 2.88Å; D949-K1170 WeakPolarHBondContact OD2-CD 3.31Å; D949-K1170 IonicContact OD2-NZ 2.71Å; D949-K1170 PolarHBondContact OD2-NZ 3.37Å; N1166-K1170 WeakPolarHBondContact O-CG 3.17Å; N1166-K1170 PolarHBondContact O-N 2.85Å; L1167-K1170 WeakPolarHBondContact O-CB 3.18Å; L1167-K1170 PolarHBondContact O-N 2.91Å; K1170-G1173 CarbonylContact O-C 3.46Å; K1170-G1173 WeakPolarHBondContact O-CA 3.4Å; K1170-G1173 PolarHBondContact O-N 3.5Å; K1170-V1174 WeakPolarHBondContact O-CG2 3.36Å; K1170-V1174 PolarHBondContact O-N 2.88Å |
| 1171 | H | 46.2 | Very low | 44 | Very low | 70 Ų | 70 | 77.5 Ų | 77.5 | 32% | 0.324 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.5 | -50 | -179.2 | -86.4 | 146.7 | 0 | 0 | 0 | 111.9 | L1167 F1168 G1173 V1174 I1175 | L1167-H1171 PolarHBondContact O-N 3.36Å; F1168-H1171 PolarHBondContact O-N 2.77Å; H1171-G1173 VanDerWaalsContact C-N 3.3Å; H1171-G1173 PolarHBondContact O-N 2.88Å; H1171-V1174 WeakPolarHBondContact O-CA 3.19Å; H1171-V1174 WeakPolarHBondContact O-CB 3.4Å; H1171-V1174 PolarHBondContact O-N 3.33Å; H1171-I1175 PolarHBondContact O-N 3.01Å; H1171-I1175 VanDerWaalsContact O-N 3.08Å |
| 1172 | I | 48.5 | Very low | 44 | Very low | 10 Ų | 10 | 77.6 Ų | 77.6 | 5% | 0.051 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.9 | -60 | 170.9 | 0 | 0 | 0 | 110.1 | L1046 W1056 F1168 V1174 I1175 L1176 | L1046-I1172 HydrophobicContact CD2-CG2 4.07Å; W1056-I1172 HydrophobicContact CB-CD1 3.96Å; W1056-I1172 HydrophobicContact CD2-CB 4.36Å; W1056-I1172 HydrophobicContact CD2-CD1 3.52Å; W1056-I1172 HydrophobicContact CD2-CG2 3.99Å; W1056-I1172 HydrophobicContact CE3-CD1 3.98Å; W1056-I1172 HydrophobicContact CE3-CG2 3.98Å; W1056-I1172 HydrophobicContact CG-CD1 3.47Å; W1056-I1172 VanDerWaalsContact CG-CD1 3.47Å; W1056-I1172 HydrophobicContact CH2-CG2 3.43Å; W1056-I1172 VanDerWaalsContact CH2-CG2 3.43Å; W1056-I1172 HydrophobicContact CZ2-CB 4.09Å; W1056-I1172 HydrophobicContact CZ2-CG2 3.42Å; W1056-I1172 VanDerWaalsContact CZ2-CG2 3.42Å; W1056-I1172 HydrophobicContact CZ3-CG2 3.71Å; F1168-I1172 HydrophobicContact CD1-CD1 4.04Å; F1168-I1172 HydrophobicContact CD1-CG1 4.47Å; F1168-I1172 HydrophobicContact CE1-CD1 4.35Å; F1168-I1172 PolarHBondContact O-N 3.3Å; F1168-I1172 VanDerWaalsContact O-N 3.1Å; I1172-V1174 PolarHBondContact O-N 3.39Å; I1172-I1175 PolarHBondContact O-N 2.78Å; I1172-I1175 VanDerWaalsContact O-N 3.08Å; I1172-L1176 HydrophobicContact CG2-CD1 4.26Å; I1172-L1176 HydrophobicContact CG2-CG 4.43Å; I1172-L1176 WeakPolarHBondContact O-CG 3.25Å; I1172-L1176 PolarHBondContact O-N 2.86Å |
| 1173 | G | 49.5 | Very low | 43.7 | Very low | 18 Ų | 18 | 77.7 Ų | 77.7 | 19% | 0.186 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.7 | -26 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1169 K1170 H1171 R1177 | E1169-G1173 PolarHBondContact O-N 3.04Å; E1169-G1173 VanDerWaalsContact O-N 3.08Å; K1170-G1173 CarbonylContact O-C 3.46Å; K1170-G1173 WeakPolarHBondContact O-CA 3.4Å; K1170-G1173 PolarHBondContact O-N 3.5Å; H1171-G1173 VanDerWaalsContact C-N 3.3Å; H1171-G1173 PolarHBondContact O-N 2.88Å; G1173-R1177 WeakPolarHBondContact O-CB 3.22Å; G1173-R1177 WeakPolarHBondContact O-CG 3.37Å; G1173-R1177 PolarHBondContact O-N 2.83Å; G1173-R1177 PolarHBondContact O-NE 2.85Å |
| 1174 | V | 47.7 | Very low | 43.4 | Very low | 69 Ų | 69 | 74.5 Ų | 74.5 | 42% | 0.418 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -78.2 | -39.1 | 171.8 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | K1170 H1171 I1172 L1176 R1177 L1178 | K1170-V1174 WeakPolarHBondContact O-CG2 3.36Å; K1170-V1174 PolarHBondContact O-N 2.88Å; H1171-V1174 WeakPolarHBondContact O-CA 3.19Å; H1171-V1174 WeakPolarHBondContact O-CB 3.4Å; H1171-V1174 PolarHBondContact O-N 3.33Å; I1172-V1174 PolarHBondContact O-N 3.39Å; V1174-L1176 VanDerWaalsContact C-N 3.35Å; V1174-R1177 PolarHBondContact O-N 2.94Å; V1174-L1178 HydrophobicContact CG1-CD1 4.44Å; V1174-L1178 WeakPolarHBondContact O-CG 3.41Å; V1174-L1178 PolarHBondContact O-N 2.76Å |
| 1175 | I | 47.8 | Very low | 42.9 | Very low | 28 Ų | 28 | 71 Ų | 71 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 176.7 | -56.4 | 169.1 | 0 | 0 | 0 | 111.1 | R1045 L1046 H1171 I1172 L1178 F1179 | R1045-I1175 HydrophobicContact CB-CD1 4.21Å; L1046-I1175 HydrophobicContact CD1-CG2 3.67Å; L1046-I1175 HydrophobicContact CG-CD1 4.46Å; L1046-I1175 HydrophobicContact CG-CG2 3.86Å; H1171-I1175 PolarHBondContact O-N 3.01Å; H1171-I1175 VanDerWaalsContact O-N 3.08Å; I1172-I1175 PolarHBondContact O-N 2.78Å; I1172-I1175 VanDerWaalsContact O-N 3.08Å; I1175-L1178 WeakPolarHBondContact O-CB 3.49Å; I1175-L1178 PolarHBondContact O-N 2.97Å; I1175-F1179 HydrophobicContact CG2-CE2 4.11Å; I1175-F1179 VanDerWaalsContact O-CD2 3.24Å; I1175-F1179 WeakPolarHBondContact O-CD2 3.37Å; I1175-F1179 PolarHBondContact O-N 2.89Å |
| 1176 | L | 50.7 | Low | 42.5 | Very low | 20 Ų | 20 | 74.6 Ų | 74.6 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.9 | -49.6 | 172.2 | -66.3 | 167.9 | 0 | 0 | 0 | 111.9 | W1056 I1071 I1172 V1174 L1178 F1179 E1180 | W1056-L1176 HydrophobicContact CH2-CD1 3.93Å; W1056-L1176 HydrophobicContact CZ2-CD1 4.16Å; I1071-L1176 HydrophobicContact CG1-CD1 3.97Å; I1071-L1176 HydrophobicContact CG1-CD2 4.46Å; I1172-L1176 HydrophobicContact CG2-CD1 4.26Å; I1172-L1176 HydrophobicContact CG2-CG 4.43Å; I1172-L1176 WeakPolarHBondContact O-CG 3.25Å; I1172-L1176 PolarHBondContact O-N 2.86Å; V1174-L1176 VanDerWaalsContact C-N 3.35Å; L1176-L1178 PolarHBondContact O-N 3.42Å; L1176-L1178 VanDerWaalsContact O-N 3.14Å; L1176-F1179 WeakPolarHBondContact O-CA 3.48Å; L1176-F1179 WeakPolarHBondContact O-CB 3.45Å; L1176-F1179 PolarHBondContact O-N 2.85Å; L1176-E1180 PolarHBondContact O-N 3.2Å |
| 1177 | R | 51.1 | Low | 42.2 | Very low | 136 Ų | 136 | 78 Ų | 78 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.8 | -22.7 | 173.8 | -77 | 176.5 | -72.4 | -179.9 | -1.6 | 113.4 | G1173 V1174 E1180 S1181 | G1173-R1177 WeakPolarHBondContact O-CB 3.22Å; G1173-R1177 WeakPolarHBondContact O-CG 3.37Å; G1173-R1177 PolarHBondContact O-N 2.83Å; G1173-R1177 PolarHBondContact O-NE 2.85Å; V1174-R1177 PolarHBondContact O-N 2.94Å; R1177-E1180 WeakPolarHBondContact CG-OE2 3.41Å; R1177-S1181 WeakPolarHBondContact O-CB 3.48Å; R1177-S1181 PolarHBondContact O-N 3.47Å; R1177-S1181 PolarHBondContact O-OG 3.23Å |
| 1178 | L | 47.1 | Very low | 41.9 | Very low | 75 Ų | 75 | 84.1 Ų | 84.1 | 39% | 0.393 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.2 | -34 | 170 | -82.4 | 166.3 | 0 | 0 | 0 | 112.4 | V1174 I1175 L1176 S1181 F1182 | V1174-L1178 HydrophobicContact CG1-CD1 4.44Å; V1174-L1178 WeakPolarHBondContact O-CG 3.41Å; V1174-L1178 PolarHBondContact O-N 2.76Å; I1175-L1178 WeakPolarHBondContact O-CB 3.49Å; I1175-L1178 PolarHBondContact O-N 2.97Å; L1176-L1178 PolarHBondContact O-N 3.42Å; L1176-L1178 VanDerWaalsContact O-N 3.14Å; L1178-S1181 WeakPolarHBondContact O-CB 3.47Å; L1178-S1181 PolarHBondContact O-N 2.92Å; L1178-F1182 WeakPolarHBondContact O-CD2 3.28Å; L1178-F1182 WeakPolarHBondContact O-CE2 3.41Å |
| 1179 | F | 46.2 | Very low | 41.3 | Very low | 32 Ų | 32 | 87.7 Ų | 87.7 | 14% | 0.14 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 171 | -70 | -74.2 | 0 | 0 | 0 | 111.9 | L1046 A1078 I1175 L1176 S1181 F1182 | L1046-F1179 HydrophobicContact CD1-CE2 3.74Å; L1046-F1179 HydrophobicContact CD1-CZ 4.31Å; A1078-F1179 HydrophobicContact CB-CD1 4.16Å; A1078-F1179 HydrophobicContact CB-CE1 3.58Å; A1078-F1179 HydrophobicContact CB-CZ 4.04Å; I1175-F1179 HydrophobicContact CG2-CE2 4.11Å; I1175-F1179 VanDerWaalsContact O-CD2 3.24Å; I1175-F1179 WeakPolarHBondContact O-CD2 3.37Å; I1175-F1179 PolarHBondContact O-N 2.89Å; L1176-F1179 WeakPolarHBondContact O-CA 3.48Å; L1176-F1179 WeakPolarHBondContact O-CB 3.45Å; L1176-F1179 PolarHBondContact O-N 2.85Å; F1179-S1181 PolarHBondContact O-N 2.86Å; F1179-S1181 VanDerWaalsContact O-N 3.11Å; F1179-F1182 PolarHBondContact O-N 3.06Å |
| 1180 | E | 44.3 | Very low | 40.5 | Very low | 132 Ų | 132 | 89.2 Ų | 89.2 | 62% | 0.617 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -55.9 | -28.9 | 174.4 | -61.7 | -178.5 | 152 | 0 | 0 | 112.9 | L1176 R1177 F1182 | L1176-E1180 PolarHBondContact O-N 3.2Å; R1177-E1180 WeakPolarHBondContact CG-OE2 3.41Å; E1180-F1182 PolarHBondContact O-N 2.71Å; E1180-F1182 VanDerWaalsContact O-N 3.15Å |
| 1181 | S | 42.6 | Very low | 39.6 | Very low | 68 Ų | 68 | 94.2 Ų | 94.2 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -2.2 | -177.5 | -66.6 | 0 | 0 | 0 | 0 | 114.7 | K214 R1177 L1178 F1179 | K214-S1181 PolarHBondContact NZ-O 3.2Å; R1177-S1181 WeakPolarHBondContact O-CB 3.48Å; R1177-S1181 PolarHBondContact O-N 3.47Å; R1177-S1181 PolarHBondContact O-OG 3.23Å; L1178-S1181 WeakPolarHBondContact O-CB 3.47Å; L1178-S1181 PolarHBondContact O-N 2.92Å; F1179-S1181 PolarHBondContact O-N 2.86Å; F1179-S1181 VanDerWaalsContact O-N 3.11Å |
| 1182 | F | 37.4 | Very low | 38.8 | Very low | 48 Ų | 48 | 99.2 Ų | 99.2 | 21% | 0.211 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -105.7 | 116.3 | -178.9 | -71 | -88.2 | 0 | 0 | 0 | 113.3 | L1035 L1178 F1179 E1180 L1184 | L1035-F1182 HydrophobicContact CD2-CB 4.49Å; L1035-F1182 HydrophobicContact CD2-CD1 3.35Å; L1035-F1182 HydrophobicContact CD2-CE1 3.75Å; L1035-F1182 HydrophobicContact CD2-CG 4.05Å; L1035-F1182 HydrophobicContact CG-CD1 4.49Å; L1178-F1182 WeakPolarHBondContact O-CD2 3.28Å; L1178-F1182 WeakPolarHBondContact O-CE2 3.41Å; F1179-F1182 PolarHBondContact O-N 3.06Å; E1180-F1182 PolarHBondContact O-N 2.71Å; E1180-F1182 VanDerWaalsContact O-N 3.15Å; F1182-L1184 PolarHBondContact O-N 2.99Å |
| 1183 | P | 31.7 | Very low | 37.6 | Very low | 117 Ų | 117 | 103.9 Ų | 103.9 | 76% | 0.76 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 126.2 | -178 | 29.1 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 1184 | L | 31.6 | Very low | 36.6 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 58% | 0.581 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 149.2 | 172.2 | -77.1 | 156.7 | 0 | 0 | 0 | 112.2 | F1182 T1186 | F1182-L1184 PolarHBondContact O-N 2.99Å; L1184-T1186 PolarHBondContact O-N 2.8Å |
| 1185 | P | 30.1 | Very low | 35.7 | Very low | 118 Ų | 118 | 112.8 Ų | 112.8 | 77% | 0.766 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 124.7 | 174.4 | -23.7 | 34.8 | 0 | 0 | 0 | 112.5 | H1187 | P1185-H1187 VanDerWaalsContact C-N 3.27Å; P1185-H1187 PolarHBondContact O-N 3.27Å |
| 1186 | T | 29.1 | Very low | 34.6 | Very low | 129 Ų | 129 | 118 Ų | 118 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 51.4 | -164.3 | 59.8 | 0 | 0 | 0 | 0 | 114.6 | L1184 | L1184-T1186 PolarHBondContact O-N 2.8Š|
| 1187 | H | 33.1 | Very low | 33.3 | Very low | 176 Ų | 176 | 123.7 Ų | 123.7 | 82% | 0.815 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | -4.1 | -173.8 | -140.1 | -59.6 | 0 | 0 | 0 | 117.2 | P1185 | P1185-H1187 VanDerWaalsContact C-N 3.27Å; P1185-H1187 PolarHBondContact O-N 3.27Å |
| 1188 | E | 31 | Very low | 32.1 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 84% | 0.836 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -117.8 | -16.4 | 175.6 | -66.5 | -160.9 | 122 | 0 | 0 | 115.5 | A1190 | E1188-A1190 PolarHBondContact O-N 3.22Š|
| 1189 | Q | 29.3 | Very low | 31 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -67.2 | 7.7 | -178.3 | -71.7 | -179.6 | -26.2 | 0 | 0 | 115.5 | K1191 | Q1189-K1191 PolarHBondContact O-N 3.43Š|
| 1190 | A | 29.1 | Very low | 30 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -83.9 | 13.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1188 | E1188-A1190 PolarHBondContact O-N 3.22Š|
| 1191 | K | 28.4 | Very low | 29.1 | Very low | 184 Ų | 184 | 134.8 Ų | 134.8 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -144.9 | 39.4 | -171.6 | -81.8 | -165 | 178.2 | -179.4 | 0 | 116 | Q1189 | Q1189-K1191 PolarHBondContact O-N 3.43Š|
| 1192 | L | 27.8 | Very low | 28.2 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -155.3 | 113.6 | 146.1 | -137.5 | 69 | 0 | 0 | 0 | 110.4 | ||||
| 1193 | S | 25 | Very low | 27.6 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -132.9 | 104.6 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1194 | D | 27.6 | Very low | 27.3 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -161.2 | 149.8 | 150.1 | -98.4 | -33.9 | 0 | 0 | 0 | 109.5 | ||||
| 1195 | P | 27.7 | Very low | 27.1 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -93.9 | 144.1 | -170.3 | 35.6 | -34 | 0 | 0 | 0 | 113.2 | ||||
| 1196 | V | 25.8 | Very low | 26.8 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -125.3 | 126.3 | 164.6 | -177.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1197 | N | 23.7 | Very low | 26.7 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -75.1 | 138 | -179.8 | -52.9 | -67.3 | 0 | 0 | 0 | 110.5 | V1199 | N1197-V1199 HydrophobicContact CB-CG2 4.35Š| ||
| 1198 | F | 25.5 | Very low | 26.5 | Very low | 211 Ų | 211 | 149.2 Ų | 149.2 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -101.3 | 126.8 | 152.1 | -104.2 | -94.1 | 0 | 0 | 0 | 109.2 | ||||
| 1199 | V | 24.9 | Very low | 26.3 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -107.6 | 145.5 | -177 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | N1197 L1201 | N1197-V1199 HydrophobicContact CB-CG2 4.35Å; V1199-L1201 PolarHBondContact O-N 3.25Å | ||
| 1200 | S | 25.2 | Very low | 26.3 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -55.5 | 134.2 | 176.2 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1201 | L | 24.6 | Very low | 26.5 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -134.7 | 108.6 | 159.9 | -75.6 | 177 | 0 | 0 | 0 | 109.1 | V1199 | V1199-L1201 PolarHBondContact O-N 3.25Š| ||
| 1202 | N | 23.4 | Very low | 26.5 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | -88 | 158.3 | 149.5 | -71.9 | 1.8 | 0 | 0 | 0 | 107.6 | ||||
| 1203 | E | 24.8 | Very low | 26.5 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 67.9 | 129.6 | 160.8 | -67.1 | 165.3 | 176.8 | 0 | 0 | 118.5 | ||
| 1204 | D | 26.3 | Very low | 26.8 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 42.3 | 133.7 | 151.2 | -59.7 | -5.3 | 0 | 0 | 0 | 122.8 | ||||
| 1205 | V | 25.9 | Very low | 26.8 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | 172.8 | 150.1 | 110.9 | 151.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 1206 | Y | 25.5 | Very low | 26.8 | Very low | 223 Ų | 223 | 147.1 Ų | 147.1 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | -59.7 | 146 | 175.8 | -79.7 | -110.5 | 0 | 0 | 0 | 114 | ||||
| 1207 | G | 26.9 | Very low | 27 | Very low | 71 Ų | 71 | 144.5 Ų | 144.5 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -77 | -173.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1208 | L | 27.2 | Very low | 27.2 | Very low | 168 Ų | 168 | 144.7 Ų | 144.7 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -164.2 | 137.7 | 174.4 | -116.5 | 166.2 | 0 | 0 | 0 | 113.3 | ||||
| 1209 | S | 27.1 | Very low | 27.4 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -114.9 | 126.5 | 154.2 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1210 | K | 29 | Very low | 27.7 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -76.6 | -178.2 | -177.5 | -88.7 | 175.6 | 177.2 | 173.3 | 0 | 113.1 | ||||
| 1211 | P | 34.7 | Very low | 27.9 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | cis | -132.2 | 174.9 | -9.5 | 22.4 | 1.5 | 0 | 0 | 0 | 114.8 | ||||
| 1212 | L | 27.1 | Very low | 28.7 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | 165.3 | 146.3 | 97.3 | -160.1 | 63.6 | 0 | 0 | 0 | 113.5 | |||||
| 1213 | D | 29.2 | Very low | 29.3 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | 7.9 | 139.2 | 165.1 | -50.3 | -18.9 | 0 | 0 | 0 | 120.3 | ||||
| 1214 | T | 30.4 | Very low | 29.8 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | -164.2 | 161.7 | 55.7 | -49.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1215 | A | 28.2 | Very low | 30.2 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | trans | -87.6 | 157 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1216 | Y | 28.4 | Very low | 30.6 | Very low | 223 Ų | 223 | 135.3 Ų | 135.3 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | -180 | 102.6 | 114.4 | -109.3 | -84.3 | 0 | 0 | 0 | 114.5 | |||||
| 1217 | A | 29.1 | Very low | 31 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | trans | 40.8 | 154.9 | 131.7 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1218 | I | 28 | Very low | 31.3 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | trans | 105.8 | 110.7 | 139.3 | -83.2 | 158.2 | 0 | 0 | 0 | 121.5 | ||||
| 1219 | K | 29.4 | Very low | 31.5 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 78% | 0.778 | 73% | 0.726 | S | S | * | * | trans | 79.6 | 110.7 | 144.8 | -77.2 | 175.3 | -167.3 | 172.1 | 0 | 123.4 | ||||
| 1220 | S | 30.5 | Very low | 31.8 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | 36 | 146.1 | 110.2 | 70 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1221 | S | 29.4 | Very low | 32 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | cis | -156 | 163.9 | 39.5 | 54.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1222 | P | 42.3 | Very low | 31.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 71% | 0.707 | S | S | * | * | trans | -99.3 | 175.3 | -177.4 | 40.7 | -36.7 | 0 | 0 | 0 | 113.8 | ||||
| 1223 | D | 36.8 | Very low | 32.1 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -164.4 | 132.4 | 138.5 | -112.5 | 7.6 | 0 | 0 | 0 | 113.6 | ||||
| 1224 | K | 34.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | 61 | 149.5 | 125.5 | -68.7 | -174.9 | -173.7 | 81.6 | 0 | 121.1 | |||||
| 1225 | D | 35.7 | Very low | 32.5 | Very low | 119 Ų | 119 | 128 Ų | 128 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | cis | -165.4 | 167.2 | 6.2 | -125.6 | -13.7 | 0 | 0 | 0 | 113.8 | ||||
| 1226 | I | 33.3 | Very low | 32.9 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 65% | 0.646 | 70% | 0.697 | S | S | * | * | trans | 68 | 136 | 143.8 | -70.8 | 166.8 | 0 | 0 | 0 | 118.8 | ||||
| 1227 | Y | 34.5 | Very low | 33 | Very low | 185 Ų | 185 | 126.3 Ų | 126.3 | 73% | 0.725 | 69% | 0.689 | S | S | * | * | cis | -150.2 | 140.3 | -0.3 | -120.4 | -157.6 | 0 | 0 | 0 | 109.5 | ||||
| 1228 | I | 32.5 | Very low | 33 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 61% | 0.61 | 69% | 0.691 | S | S | * | * | 56.4 | 107.7 | 94 | -56.9 | -176.2 | 0 | 0 | 0 | 113.3 | |||||
| 1229 | S | 30.8 | Very low | 33 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | 175.6 | 172.2 | 86.7 | 30.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1230 | D | 34 | Very low | 33 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 65% | 0.647 | 69% | 0.686 | S | S | * | * | cis | -175.3 | 162.8 | -19.7 | -100.2 | 17.9 | 0 | 0 | 0 | 107.4 | ||||
| 1231 | Q | 33.3 | Very low | 32.9 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 61% | 0.612 | 69% | 0.689 | S | S | * | * | cis | -166.1 | 151.8 | -20.4 | -117.2 | -168.3 | 91.4 | 0 | 0 | 110 | ||||
| 1232 | Q | 33.4 | Very low | 32.7 | Very low | 147 Ų | 147 | 121.2 Ų | 121.2 | 69% | 0.687 | 68% | 0.683 | S | S | * | * | trans | 69 | 147.8 | 154.1 | -64.6 | -177.2 | 33.9 | 0 | 0 | 120.8 | ||||
| 1233 | N | 31.8 | Very low | 32 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | cis | -155 | 159.5 | -7.5 | -115.3 | -20.5 | 0 | 0 | 0 | 113.4 | ||||
| 1234 | P | 37.4 | Very low | 31.4 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 69% | 0.688 | 70% | 0.695 | S | S | * | * | trans | -116.1 | -167.8 | -172.8 | 44.2 | -35.1 | 0 | 0 | 0 | 114.4 | ||||
| 1235 | S | 30.2 | Very low | 31 | Very low | 94 Ų | 94 | 122.3 Ų | 122.3 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | 165.4 | 156 | 114.2 | 55.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1236 | N | 35.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | trans | 79.9 | 119.2 | 159.2 | -59.2 | -51.3 | 0 | 0 | 0 | 119.2 | ||||
| 1237 | N | 30.5 | Very low | 30.2 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | cis | 93.3 | 140.8 | 46.8 | -72.8 | -31.4 | 0 | 0 | 0 | 111.8 | ||||
| 1238 | C | 30.4 | Very low | 29.9 | Very low | 102 Ų | 102 | 129 Ų | 129 | 69% | 0.689 | 72% | 0.717 | S | S | * | * | cis | -144.6 | 145.4 | 20 | -107.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1239 | T | 27.8 | Very low | 29.5 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | 51.2 | 146.3 | 89.8 | 79.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1240 | S | 30 | Very low | 29.2 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | cis | -170.2 | 152 | 29.8 | 52.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1241 | S | 26.6 | Very low | 29.2 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | 54.7 | 157 | 137.4 | 65.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1242 | A | 25.8 | Very low | 28.6 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | cis | -179.7 | 173.5 | -22.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1243 | T | 26.9 | Very low | 28.2 | Very low | 132 Ų | 132 | 136 Ų | 136 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | trans | 64.6 | 152.4 | 162.1 | 54.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1244 | E | 25.4 | Very low | 27.8 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | cis | -174.9 | 174.7 | -26.2 | -169.6 | 175.9 | -119.2 | 0 | 0 | 108.9 | ||||
| 1245 | V | 26.5 | Very low | 27 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 62% | 0.618 | 76% | 0.758 | S | S | * | * | trans | 94.3 | 101.5 | 153.8 | -170.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1246 | R | 24.9 | Very low | 26.8 | Very low | 215 Ų | 215 | 143.5 Ų | 143.5 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | 75 | 111.2 | 139.9 | -70.2 | 172.8 | -179.5 | 152.1 | 0 | 124.4 | ||||
| 1247 | N | 27.2 | Very low | 26.1 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | 36.5 | 130.4 | 110.6 | -50.8 | 20.1 | 0 | 0 | 0 | 121.2 | |||||
| 1248 | K | 27.2 | Very low | 26 | Very low | 204 Ų | 204 | 147 Ų | 147 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | -167.1 | 160.3 | 110.8 | -108.3 | 178.9 | -179.8 | -169.2 | 0 | 114 | |||||
| 1249 | N | 24.1 | Very low | 25.6 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -71.2 | 166.6 | 174 | -51.3 | -5.1 | 0 | 0 | 0 | 110 | ||||
| 1250 | E | 24.7 | Very low | 25.4 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | -165.1 | 166.6 | 57.6 | -80 | -179.4 | 166.8 | 0 | 0 | 112.6 | |||||
| 1251 | P | 33.2 | Very low | 25 | Very low | 115 Ų | 115 | 157.5 Ų | 157.5 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -91 | 157.8 | 176.3 | 37 | -35.3 | 0 | 0 | 0 | 113.5 | ||||
| 1252 | I | 21.5 | Very low | 24.8 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | trans | -163.3 | 152.5 | 155.1 | -109 | 151.1 | 0 | 0 | 0 | 114 | ||||
| 1253 | H | 24.4 | Very low | 24.8 | Very low | 152 Ų | 152 | 160.8 Ų | 160.8 | 70% | 0.704 | 80% | 0.801 | S | S | * | * | trans | -71 | 168.8 | -175.7 | -94.5 | -104.9 | 0 | 0 | 0 | 117.7 | ||||
| 1254 | F | 23.5 | Very low | 24.7 | Very low | 179 Ų | 179 | 162 Ų | 162 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 63.4 | 128.1 | 143.6 | -82.3 | -56 | 0 | 0 | 0 | 118.6 | ||||
| 1255 | L | 21.8 | Very low | 24.7 | Very low | 154 Ų | 154 | 162.1 Ų | 162.1 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | -176.6 | 145.5 | 77.4 | -115.8 | 163.4 | 0 | 0 | 0 | 113.1 | |||||
| 1256 | L | 24.6 | Very low | 24.6 | Very low | 159 Ų | 159 | 163.1 Ų | 163.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -70.1 | 124.4 | 154.5 | -72.1 | 154.2 | 0 | 0 | 0 | 110.4 | ||||
| 1257 | R | 21.2 | Very low | 24.6 | Very low | 245 Ų | 245 | 155.9 Ų | 155.9 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -173.9 | 147.6 | 143.9 | -110 | 164.7 | -173.3 | -162.1 | 1.4 | 117 | ||||
| 1258 | S | 27.3 | Very low | 24.5 | Very low | 94 Ų | 94 | 153 Ų | 153 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | -74.8 | 153.5 | 173.1 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1259 | N | 22.6 | Very low | 24.5 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | -178.6 | 131.9 | 113.7 | -102.7 | -73.9 | 0 | 0 | 0 | 115.8 | |||||
| 1260 | K | 23.1 | Very low | 24.6 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | 27.9 | 108.2 | 131.5 | -59.2 | 175.3 | -168.2 | 140.4 | 0 | 119.9 | ||||
| 1261 | R | 22.3 | Very low | 24.7 | Very low | 247 Ų | 247 | 143.1 Ų | 143.1 | 93% | 0.932 | 73% | 0.725 | S | S | * | * | 172.5 | 121.1 | 100.3 | -95.6 | 158.1 | 178.9 | 169.2 | -0.5 | 111 | |||||
| 1262 | G | 23.4 | Very low | 24.4 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | trans | -91.9 | -169.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1263 | L | 25 | Very low | 24.6 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 94% | 0.942 | 70% | 0.695 | S | S | * | * | trans | -138.1 | 144.9 | 168.9 | -116.9 | 153.7 | 0 | 0 | 0 | 109.2 | ||||
| 1264 | K | 24.1 | Very low | 24.8 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 68% | 0.683 | 69% | 0.685 | S | S | * | * | trans | -85.3 | 141.1 | -169.9 | -65.4 | 174.6 | 163.1 | -152.3 | 0 | 112.7 | E1266 | K1264-E1266 HydrophobicContact CB-CG 4.35Å; K1264-E1266 HydrophobicContact CD-CG 4.47Å; K1264-E1266 VanDerWaalsContact CD-OE1 3.27Å; K1264-E1266 WeakPolarHBondContact CD-OE1 3.43Å; K1264-E1266 WeakPolarHBondContact CE-OE1 3.35Å; K1264-E1266 IonicContact NZ-OE1 2.66Å; K1264-E1266 PolarHBondContact NZ-OE1 2.96Å | ||
| 1265 | I | 26.2 | Very low | 24.9 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 90% | 0.903 | 69% | 0.689 | S | S | * | * | trans | -133.3 | 133.2 | 140.2 | -61.6 | -174.5 | 0 | 0 | 0 | 107.6 | ||||
| 1266 | E | 23.7 | Very low | 25.4 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | trans | -118.4 | 87.7 | -161.1 | -76.7 | -176.1 | 173.3 | 0 | 0 | 114.5 | R1016 K1264 | R1016-E1266 PolarHBondContact NH2-O 3.06Å; K1264-E1266 HydrophobicContact CB-CG 4.35Å; K1264-E1266 HydrophobicContact CD-CG 4.47Å; K1264-E1266 VanDerWaalsContact CD-OE1 3.27Å; K1264-E1266 WeakPolarHBondContact CD-OE1 3.43Å; K1264-E1266 WeakPolarHBondContact CE-OE1 3.35Å; K1264-E1266 IonicContact NZ-OE1 2.66Å; K1264-E1266 PolarHBondContact NZ-OE1 2.96Å | ||
| 1267 | G | 25.3 | Very low | 25.8 | Very low | 63 Ų | 63 | 125.9 Ų | 125.9 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | trans | -157.6 | 148.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1268 | L | 26.1 | Very low | 26.6 | Very low | 91 Ų | 91 | 119 Ų | 119 | 48% | 0.476 | 64% | 0.643 | S | S | . | * | cis | -164.1 | 109.3 | -2.2 | -170.5 | 150.2 | 0 | 0 | 0 | 109.7 | R1016 M1018 | R1016-L1268 HydrophobicContact CB-CD1 4.34Å; R1016-L1268 HydrophobicContact CB-CD2 4.41Å; R1016-L1268 HydrophobicContact CB-CG 4.02Å; R1016-L1268 HydrophobicContact CG-CD1 3.99Å; R1016-L1268 HydrophobicContact CG-CG 3.76Å; M1018-L1268 HydrophobicContact CE-CD2 4.48Å; M1018-L1268 WeakPolarHBondContact CE-O 3.03Å; M1018-L1268 HydrophobicContact CG-CD2 3.98Å | ||
| 1269 | R | 25.7 | Very low | 27.3 | Very low | 180 Ų | 180 | 119.4 Ų | 119.4 | 68% | 0.679 | 63% | 0.634 | S | S | * | * | trans | -74.8 | 147.8 | -176.3 | -72.6 | -179.5 | 171.2 | 174.8 | -6.1 | 114.5 | ||||
| 1270 | S | 26.3 | Very low | 28.1 | Very low | 33 Ų | 33 | 118 Ų | 118 | 23% | 0.231 | 63% | 0.63 | C | S | . | * | -170 | 128.5 | 116.8 | 72.2 | 0 | 0 | 0 | 0 | 114.8 | M1018 | M1018-S1270 WeakPolarHBondContact CB-OG 3.39Å; M1018-S1270 PolarHBondContact SD-N 3.32Å; M1018-S1270 PolarHBondContact SD-OG 3.37Å | |||
| 1271 | N | 27.4 | Very low | 29 | Very low | 110 Ų | 110 | 114.2 Ų | 114.2 | 59% | 0.588 | 62% | 0.617 | S | S | * | * | trans | 30.9 | 122.5 | 140.6 | -49.7 | 20.6 | 0 | 0 | 0 | 120.7 | ||||
| 1272 | Y | 26.6 | Very low | 30 | Very low | 98 Ų | 98 | 106.9 Ų | 106.9 | 38% | 0.384 | 60% | 0.595 | S | S | . | * | trans | -167 | 143.9 | 147.4 | -88.6 | -42.7 | 0 | 0 | 0 | 111.3 | Q1019 Y1022 | Q1019-Y1272 PolarHBondContact NE2-OH 3.03Å; Y1022-Y1272 HydrophobicContact CD1-CG 4.37Å; Y1022-Y1272 AromaticContact CD2-CD1 3.82Å; Y1022-Y1272 HydrophobicContact CD2-CD1 3.82Å; Y1022-Y1272 HydrophobicContact CD2-CD2 4.02Å; Y1022-Y1272 HydrophobicContact CD2-CE1 4.46Å; Y1022-Y1272 AromaticContact CD2-CG 3.61Å; Y1022-Y1272 HydrophobicContact CD2-CG 3.61Å; Y1022-Y1272 HydrophobicContact CE1-CD1 4.48Å; Y1022-Y1272 HydrophobicContact CE1-CG 4.23Å; Y1022-Y1272 AromaticContact CE2-CD1 3.18Å; Y1022-Y1272 HydrophobicContact CE2-CD1 3.18Å; Y1022-Y1272 HydrophobicContact CE2-CD2 4.23Å; Y1022-Y1272 AromaticContact CE2-CE1 3.91Å; Y1022-Y1272 HydrophobicContact CE2-CE1 3.91Å; Y1022-Y1272 AromaticContact CE2-CG 3.41Å; Y1022-Y1272 HydrophobicContact CE2-CG 3.41Å; Y1022-Y1272 VanDerWaalsContact CE2-CG 3.41Å; Y1022-Y1272 HydrophobicContact CG-CD2 4.48Å; Y1022-Y1272 HydrophobicContact CG-CG 4.1Å; Y1022-Y1272 AromaticContact CZ-CD1 3.58Å; Y1022-Y1272 AromaticContact CZ-CG 3.75Å | ||
| 1273 | T | 26.9 | Very low | 31 | Very low | 102 Ų | 102 | 109.1 Ų | 109.1 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | trans | -122.3 | 123.9 | -165.5 | 42.5 | 0 | 0 | 0 | 0 | 115.6 | Y1022 | Y1022-T1273 VanDerWaalsContact CE1-C 3.47Å; Y1022-T1273 VanDerWaalsContact CE1-O 3.26Å; Y1022-T1273 WeakPolarHBondContact CE1-O 3.48Å; Y1022-T1273 PolarHBondContact OH-N 3.36Å; Y1022-T1273 PolarHBondContact OH-O 3.44Å; Y1022-T1273 PolarHBondContact OH-OG1 3.22Å | ||
| 1274 | I | 27 | Very low | 31.7 | Very low | 99 Ų | 99 | 104.9 Ų | 104.9 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | trans | -82.2 | 145.8 | 173.7 | -33.3 | 177.2 | 0 | 0 | 0 | 111.2 | L1026 T1276 | L1026-I1274 HydrophobicContact CD1-CD1 3.87Å; L1026-I1274 HydrophobicContact CD1-CG1 3.81Å; L1026-I1274 HydrophobicContact CD2-CD1 3.47Å; L1026-I1274 VanDerWaalsContact CD2-CD1 3.47Å; L1026-I1274 HydrophobicContact CD2-CG1 3.74Å; L1026-I1274 HydrophobicContact CG-CD1 4.27Å; L1026-I1274 HydrophobicContact CG-CG1 4.42Å; I1274-T1276 HydrophobicContact CG2-CG2 4.09Å | ||
| 1275 | A | 27.1 | Very low | 32.6 | Very low | 105 Ų | 105 | 100 Ų | 100 | 87% | 0.868 | 55% | 0.549 | S | S | * | . | trans | -102.9 | 80 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1276 | T | 31.9 | Very low | 33.5 | Very low | 86 Ų | 86 | 98.3 Ų | 98.3 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | trans | -84.1 | 140.3 | 163.9 | 38.8 | 0 | 0 | 0 | 0 | 109.8 | I1274 T1278 | I1274-T1276 HydrophobicContact CG2-CG2 4.09Å; T1276-T1278 PolarHBondContact O-N 3.29Å; T1276-T1278 VanDerWaalsContact O-N 3.15Å | ||
| 1277 | N | 33.5 | Very low | 34.4 | Very low | 84 Ų | 84 | 97.4 Ų | 97.4 | 45% | 0.449 | 53% | 0.529 | S | S | . | . | trans | -62.3 | 118.3 | 179.4 | -176.4 | 4.2 | 0 | 0 | 0 | 110.2 | E1279 V1280 I1281 | N1277-E1279 PolarHBondContact ND2-OE2 3.04Å; N1277-E1279 PolarHBondContact O-N 3.14Å; N1277-E1279 VanDerWaalsContact OD1-CB 3.23Å; N1277-E1279 WeakPolarHBondContact OD1-CB 3.46Å; N1277-E1279 PolarHBondContact OD1-N 3.01Å; N1277-V1280 HydrophobicContact CB-CB 4.46Å; N1277-V1280 HydrophobicContact CB-CG2 4Å; N1277-V1280 PolarHBondContact O-N 3.27Å; N1277-I1281 PolarHBondContact O-N 3.08Å | ||
| 1278 | T | 37.2 | Very low | 35.1 | Very low | 101 Ų | 101 | 97.5 Ų | 97.5 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -55.1 | -33.5 | 175.4 | 27 | 0 | 0 | 0 | 0 | 111.9 | T1276 V1280 I1281 I1282 | T1276-T1278 PolarHBondContact O-N 3.29Å; T1276-T1278 VanDerWaalsContact O-N 3.15Å; T1278-V1280 VanDerWaalsContact C-N 3.3Å; T1278-V1280 PolarHBondContact O-N 2.88Å; T1278-I1281 PolarHBondContact O-N 2.92Å; T1278-I1282 WeakPolarHBondContact O-CB 3.39Å; T1278-I1282 WeakPolarHBondContact O-CD1 3.18Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.5Å; T1278-I1282 PolarHBondContact O-N 3.14Å |
| 1279 | E | 42.2 | Very low | 36 | Very low | 101 Ų | 101 | 99.1 Ų | 99.1 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -34 | 176.9 | -161 | -161.7 | 158.2 | 0 | 0 | 112.9 | N1277 K1283 | N1277-E1279 PolarHBondContact ND2-OE2 3.04Å; N1277-E1279 PolarHBondContact O-N 3.14Å; N1277-E1279 VanDerWaalsContact OD1-CB 3.23Å; N1277-E1279 WeakPolarHBondContact OD1-CB 3.46Å; N1277-E1279 PolarHBondContact OD1-N 3.01Å; E1279-K1283 HydrophobicContact CG-CD 4.4Å; E1279-K1283 VanDerWaalsContact O-CB 3.31Å; E1279-K1283 WeakPolarHBondContact O-CB 3.45Å; E1279-K1283 VanDerWaalsContact O-CG 3.27Å; E1279-K1283 WeakPolarHBondContact O-CG 3.46Å; E1279-K1283 PolarHBondContact O-N 3.21Å; E1279-K1283 WeakPolarHBondContact OE1-CE 3.44Å; E1279-K1283 IonicContact OE1-NZ 3.85Å; E1279-K1283 PolarHBondContact OE1-NZ 2.66Å |
| 1280 | V | 40 | Very low | 37 | Very low | 90 Ų | 90 | 95 Ų | 95 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.3 | -41.2 | 176.7 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | N1277 T1278 K1283 L1284 | N1277-V1280 HydrophobicContact CB-CB 4.46Å; N1277-V1280 HydrophobicContact CB-CG2 4Å; N1277-V1280 PolarHBondContact O-N 3.27Å; T1278-V1280 VanDerWaalsContact C-N 3.3Å; T1278-V1280 PolarHBondContact O-N 2.88Å; V1280-K1283 PolarHBondContact O-N 3.08Å; V1280-L1284 WeakPolarHBondContact O-CB 3.28Å; V1280-L1284 PolarHBondContact O-N 2.67Å |
| 1281 | I | 40.7 | Very low | 37.9 | Very low | 93 Ų | 93 | 95.1 Ų | 95.1 | 48% | 0.477 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 175.1 | -62.8 | 175.5 | 0 | 0 | 0 | 110.4 | N1277 T1278 L1284 A1285 | N1277-I1281 PolarHBondContact O-N 3.08Å; T1278-I1281 PolarHBondContact O-N 2.92Å; I1281-L1284 PolarHBondContact O-N 2.65Å; I1281-A1285 VanDerWaalsContact O-CB 3.22Å; I1281-A1285 WeakPolarHBondContact O-CB 3.42Å; I1281-A1285 PolarHBondContact O-N 2.8Å |
| 1282 | I | 44.3 | Very low | 38.6 | Very low | 94 Ų | 94 | 92.3 Ų | 92.3 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 176.6 | -70 | 163.2 | 0 | 0 | 0 | 111.5 | T1278 K1286 | T1278-I1282 WeakPolarHBondContact O-CB 3.39Å; T1278-I1282 WeakPolarHBondContact O-CD1 3.18Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.5Å; T1278-I1282 PolarHBondContact O-N 3.14Å; I1282-K1286 HydrophobicContact CG2-CD 4.41Å; I1282-K1286 WeakPolarHBondContact O-CB 3.33Å; I1282-K1286 WeakPolarHBondContact O-CG 3.45Å; I1282-K1286 PolarHBondContact O-N 3.2Å |
| 1283 | K | 43.1 | Very low | 39.7 | Very low | 127 Ų | 127 | 92.2 Ų | 92.2 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 174.4 | -80.8 | 168.1 | 170.1 | 169.1 | 0 | 111.5 | E1279 V1280 K1286 F1287 | E1279-K1283 HydrophobicContact CG-CD 4.4Å; E1279-K1283 VanDerWaalsContact O-CB 3.31Å; E1279-K1283 WeakPolarHBondContact O-CB 3.45Å; E1279-K1283 VanDerWaalsContact O-CG 3.27Å; E1279-K1283 WeakPolarHBondContact O-CG 3.46Å; E1279-K1283 PolarHBondContact O-N 3.21Å; E1279-K1283 WeakPolarHBondContact OE1-CE 3.44Å; E1279-K1283 IonicContact OE1-NZ 3.85Å; E1279-K1283 PolarHBondContact OE1-NZ 2.66Å; V1280-K1283 PolarHBondContact O-N 3.08Å; K1283-K1286 PolarHBondContact O-N 3.34Å; K1283-F1287 WeakPolarHBondContact O-CB 3.04Å; K1283-F1287 PolarHBondContact O-N 3.09Å |
| 1284 | L | 40.4 | Very low | 40.7 | Very low | 91 Ų | 91 | 90.7 Ų | 90.7 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 176.6 | -169.5 | 70.4 | 0 | 0 | 0 | 111.7 | V1280 I1281 K1286 F1287 L1288 | V1280-L1284 WeakPolarHBondContact O-CB 3.28Å; V1280-L1284 PolarHBondContact O-N 2.67Å; I1281-L1284 PolarHBondContact O-N 2.65Å; L1284-K1286 PolarHBondContact O-N 2.92Å; L1284-F1287 PolarHBondContact O-N 2.94Å; L1284-L1288 HydrophobicContact CG-CD1 4.07Å; L1284-L1288 WeakPolarHBondContact O-CB 3.31Å; L1284-L1288 VanDerWaalsContact O-CG 3.28Å; L1284-L1288 WeakPolarHBondContact O-CG 3.05Å; L1284-L1288 PolarHBondContact O-N 3.27Å |
| 1285 | A | 42.6 | Very low | 41.4 | Very low | 53 Ų | 53 | 88.3 Ų | 88.3 | 44% | 0.438 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1281 L1288 F1289 | I1281-A1285 VanDerWaalsContact O-CB 3.22Å; I1281-A1285 WeakPolarHBondContact O-CB 3.42Å; I1281-A1285 PolarHBondContact O-N 2.8Å; A1285-L1288 PolarHBondContact O-N 2.96Å; A1285-F1289 VanDerWaalsContact O-CB 3.22Å; A1285-F1289 WeakPolarHBondContact O-CB 3.41Å; A1285-F1289 PolarHBondContact O-N 3.43Å |
| 1286 | K | 46 | Very low | 42.3 | Very low | 142 Ų | 142 | 85 Ų | 85 | 62% | 0.617 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65 | -39.5 | 173.9 | -78.5 | -174.4 | 171.7 | -165.7 | 0 | 113 | I1282 K1283 L1284 N1290 | I1282-K1286 HydrophobicContact CG2-CD 4.41Å; I1282-K1286 WeakPolarHBondContact O-CB 3.33Å; I1282-K1286 WeakPolarHBondContact O-CG 3.45Å; I1282-K1286 PolarHBondContact O-N 3.2Å; K1283-K1286 PolarHBondContact O-N 3.34Å; L1284-K1286 PolarHBondContact O-N 2.92Å; K1286-N1290 WeakPolarHBondContact O-CB 3.22Å; K1286-N1290 PolarHBondContact O-N 3.34Å; K1286-N1290 PolarHBondContact O-OD1 3.01Å |
| 1287 | F | 43 | Very low | 43.2 | Very low | 103 Ų | 103 | 85.6 Ų | 85.6 | 45% | 0.452 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 175.3 | 176.7 | -99 | 0 | 0 | 0 | 111.3 | K1283 L1284 L1291 | K1283-F1287 WeakPolarHBondContact O-CB 3.04Å; K1283-F1287 PolarHBondContact O-N 3.09Å; L1284-F1287 PolarHBondContact O-N 2.94Å; F1287-L1291 HydrophobicContact CE1-CD2 4.3Å; F1287-L1291 VanDerWaalsContact O-CB 3.3Å; F1287-L1291 WeakPolarHBondContact O-CB 3.4Å; F1287-L1291 PolarHBondContact O-N 3.29Å |
| 1288 | L | 39.7 | Very low | 43.8 | Very low | 65 Ų | 65 | 86.3 Ų | 86.3 | 34% | 0.34 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 177.1 | -69.4 | 168.6 | 0 | 0 | 0 | 112.3 | V1040 L1284 A1285 L1291 Q1292 | V1040-L1288 HydrophobicContact CG1-CD2 3.94Å; V1040-L1288 HydrophobicContact CG2-CD2 4.06Å; L1284-L1288 HydrophobicContact CG-CD1 4.07Å; L1284-L1288 WeakPolarHBondContact O-CB 3.31Å; L1284-L1288 VanDerWaalsContact O-CG 3.28Å; L1284-L1288 WeakPolarHBondContact O-CG 3.05Å; L1284-L1288 PolarHBondContact O-N 3.27Å; A1285-L1288 PolarHBondContact O-N 2.96Å; L1288-L1291 PolarHBondContact O-N 2.91Å; L1288-Q1292 WeakPolarHBondContact O-CB 3.45Å; L1288-Q1292 PolarHBondContact O-N 3.47Å |
| 1289 | F | 44.8 | Very low | 44.1 | Very low | 124 Ų | 124 | 83.9 Ų | 83.9 | 54% | 0.544 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 179.1 | -178.1 | -95.8 | 0 | 0 | 0 | 112.6 | A1285 K1293 | A1285-F1289 VanDerWaalsContact O-CB 3.22Å; A1285-F1289 WeakPolarHBondContact O-CB 3.41Å; A1285-F1289 PolarHBondContact O-N 3.43Å; F1289-K1293 WeakPolarHBondContact O-CB 3.29Å; F1289-K1293 PolarHBondContact O-N 2.73Å |
| 1290 | N | 47 | Very low | 44.4 | Very low | 93 Ų | 93 | 81.8 Ų | 81.8 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 174.2 | -74 | 15.6 | 0 | 0 | 0 | 110.9 | K1286 Q1292 K1293 D1294 | K1286-N1290 WeakPolarHBondContact O-CB 3.22Å; K1286-N1290 PolarHBondContact O-N 3.34Å; K1286-N1290 PolarHBondContact O-OD1 3.01Å; N1290-Q1292 VanDerWaalsContact C-N 3.31Å; N1290-Q1292 PolarHBondContact O-N 2.62Å; N1290-K1293 PolarHBondContact O-N 3.03Å; N1290-D1294 WeakPolarHBondContact O-CB 3.48Å; N1290-D1294 PolarHBondContact O-N 3.32Å |
| 1291 | L | 43.6 | Very low | 45 | Very low | 36 Ų | 36 | 82 Ų | 82 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | 178.7 | -177.3 | 65.2 | 0 | 0 | 0 | 112.1 | F1287 L1288 I1295 | F1287-L1291 HydrophobicContact CE1-CD2 4.3Å; F1287-L1291 VanDerWaalsContact O-CB 3.3Å; F1287-L1291 WeakPolarHBondContact O-CB 3.4Å; F1287-L1291 PolarHBondContact O-N 3.29Å; L1288-L1291 PolarHBondContact O-N 2.91Å; L1291-I1295 HydrophobicContact CD1-CD1 4.13Å; L1291-I1295 HydrophobicContact CG-CD1 4.01Å; L1291-I1295 WeakPolarHBondContact O-CB 3.34Å; L1291-I1295 WeakPolarHBondContact O-CD1 3.45Å; L1291-I1295 WeakPolarHBondContact O-CG1 3.43Å; L1291-I1295 PolarHBondContact O-N 2.84Å; L1291-I1295 VanDerWaalsContact O-N 3.07Å |
| 1292 | Q | 42.6 | Very low | 45.3 | Very low | 51 Ų | 51 | 80.5 Ų | 80.5 | 24% | 0.238 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.6 | -47.8 | 174.9 | -176.1 | -170 | -29.8 | 0 | 0 | 111.3 | D1124 E1127 L1288 N1290 D1294 I1295 L1296 | D1124-Q1292 PolarHBondContact OD1-NE2 2.94Å; E1127-Q1292 PolarHBondContact OE2-NE2 3.37Å; L1288-Q1292 WeakPolarHBondContact O-CB 3.45Å; L1288-Q1292 PolarHBondContact O-N 3.47Å; N1290-Q1292 VanDerWaalsContact C-N 3.31Å; N1290-Q1292 PolarHBondContact O-N 2.62Å; Q1292-D1294 PolarHBondContact O-N 2.68Å; Q1292-I1295 PolarHBondContact O-N 2.74Å; Q1292-L1296 WeakPolarHBondContact O-CB 3.4Å; Q1292-L1296 PolarHBondContact O-N 3.07Å |
| 1293 | K | 49.9 | Very low | 45.4 | Very low | 96 Ų | 96 | 78.3 Ų | 78.3 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.5 | -48.9 | 176.9 | -176.7 | -176.1 | 178.6 | -70.2 | 0 | 111.4 | F1289 N1290 I1295 L1296 E1297 | F1289-K1293 WeakPolarHBondContact O-CB 3.29Å; F1289-K1293 PolarHBondContact O-N 2.73Å; N1290-K1293 PolarHBondContact O-N 3.03Å; K1293-I1295 VanDerWaalsContact C-N 3.26Å; K1293-I1295 PolarHBondContact O-N 3.15Å; K1293-L1296 PolarHBondContact O-N 3.36Å; K1293-L1296 VanDerWaalsContact O-N 3.17Å; K1293-E1297 IonicContact NZ-OE1 2.7Å; K1293-E1297 PolarHBondContact NZ-OE1 3.19Å; K1293-E1297 IonicContact NZ-OE2 3.18Å; K1293-E1297 PolarHBondContact NZ-OE2 3.17Å; K1293-E1297 WeakPolarHBondContact O-CB 3.28Å; K1293-E1297 PolarHBondContact O-N 2.88Å |
| 1294 | D | 47.5 | Very low | 45.9 | Very low | 71 Ų | 71 | 76.5 Ų | 76.5 | 38% | 0.38 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.7 | -29.8 | -177.3 | -63.2 | -11.2 | 0 | 0 | 0 | 112.2 | N1290 Q1292 Q1298 | N1290-D1294 WeakPolarHBondContact O-CB 3.48Å; N1290-D1294 PolarHBondContact O-N 3.32Å; Q1292-D1294 PolarHBondContact O-N 2.68Å; D1294-Q1298 WeakPolarHBondContact O-CG 3.3Å |
| 1295 | I | 41.4 | Very low | 46.5 | Very low | 49 Ų | 49 | 78.8 Ų | 78.8 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -73.2 | -45.3 | 171.7 | -73.6 | 167.4 | 0 | 0 | 0 | 110.8 | L1291 Q1292 K1293 L1299 | L1291-I1295 HydrophobicContact CD1-CD1 4.13Å; L1291-I1295 HydrophobicContact CG-CD1 4.01Å; L1291-I1295 WeakPolarHBondContact O-CB 3.34Å; L1291-I1295 WeakPolarHBondContact O-CD1 3.45Å; L1291-I1295 WeakPolarHBondContact O-CG1 3.43Å; L1291-I1295 PolarHBondContact O-N 2.84Å; L1291-I1295 VanDerWaalsContact O-N 3.07Å; Q1292-I1295 PolarHBondContact O-N 2.74Å; K1293-I1295 VanDerWaalsContact C-N 3.26Å; K1293-I1295 PolarHBondContact O-N 3.15Å; I1295-L1299 HydrophobicContact CG2-CD1 3.76Å; I1295-L1299 HydrophobicContact CG2-CG 4.42Å; I1295-L1299 WeakPolarHBondContact O-CB 3.18Å; I1295-L1299 WeakPolarHBondContact O-CG 3.49Å; I1295-L1299 PolarHBondContact O-N 3.31Å |
| 1296 | L | 46.2 | Very low | 46.7 | Very low | 36 Ų | 36 | 79.7 Ų | 79.7 | 19% | 0.188 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -71.3 | -39 | -176.3 | -162.3 | 90.3 | 0 | 0 | 0 | 112.7 | E1127 Q1292 K1293 Q1298 L1299 T1300 | E1127-L1296 HydrophobicContact CB-CD1 3.82Å; E1127-L1296 HydrophobicContact CG-CD1 3.59Å; E1127-L1296 HydrophobicContact CG-CD2 3.86Å; E1127-L1296 HydrophobicContact CG-CG 4.33Å; E1127-L1296 WeakPolarHBondContact OE1-CD2 3.47Å; Q1292-L1296 WeakPolarHBondContact O-CB 3.4Å; Q1292-L1296 PolarHBondContact O-N 3.07Å; K1293-L1296 PolarHBondContact O-N 3.36Å; K1293-L1296 VanDerWaalsContact O-N 3.17Å; L1296-Q1298 VanDerWaalsContact C-N 3.32Å; L1296-Q1298 PolarHBondContact O-N 2.89Å; L1296-L1299 PolarHBondContact O-N 3.48Å; L1296-T1300 WeakPolarHBondContact O-CB 3.49Å; L1296-T1300 PolarHBondContact O-N 3.41Å; L1296-T1300 PolarHBondContact O-OG1 3.23Å |
| 1297 | E | 51.8 | Low | 46.8 | Very low | 98 Ų | 98 | 77 Ų | 77 | 46% | 0.458 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 178.4 | -156.1 | 159.4 | -135.9 | 0 | 0 | 109.3 | K1293 T1300 D1301 | K1293-E1297 IonicContact NZ-OE1 2.7Å; K1293-E1297 PolarHBondContact NZ-OE1 3.19Å; K1293-E1297 IonicContact NZ-OE2 3.18Å; K1293-E1297 PolarHBondContact NZ-OE2 3.17Å; K1293-E1297 WeakPolarHBondContact O-CB 3.28Å; K1293-E1297 PolarHBondContact O-N 2.88Å; E1297-T1300 WeakPolarHBondContact O-CB 3.37Å; E1297-T1300 PolarHBondContact O-N 3.01Å; E1297-D1301 PolarHBondContact O-N 3.06Å |
| 1298 | Q | 45 | Very low | 47.5 | Very low | 99 Ų | 99 | 75.1 Ų | 75.1 | 46% | 0.463 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -72 | -35 | 176 | -67.9 | -174.1 | -5.9 | 0 | 0 | 114.5 | R1050 D1294 L1296 T1300 D1301 L1302 | R1050-Q1298 VanDerWaalsContact NH1-CD 3.26Å; D1294-Q1298 WeakPolarHBondContact O-CG 3.3Å; L1296-Q1298 VanDerWaalsContact C-N 3.32Å; L1296-Q1298 PolarHBondContact O-N 2.89Å; Q1298-T1300 VanDerWaalsContact C-N 3.28Å; Q1298-D1301 PolarHBondContact O-N 3.35Å; Q1298-L1302 VanDerWaalsContact O-CB 3.29Å; Q1298-L1302 WeakPolarHBondContact O-CB 3.39Å; Q1298-L1302 PolarHBondContact O-N 3.14Å |
| 1299 | L | 43.5 | Very low | 48.2 | Very low | 49 Ų | 49 | 78.1 Ų | 78.1 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.6 | -30.2 | 171 | -78.6 | 173.8 | 0 | 0 | 0 | 111.8 | C1131 M1134 I1295 L1296 N1303 | C1131-L1299 HydrophobicContact CB-CD1 4.29Å; C1131-L1299 VanDerWaalsContact SG-CD1 3.53Å; M1134-L1299 HydrophobicContact CE-CB 3.93Å; M1134-L1299 HydrophobicContact CE-CD1 4.32Å; I1295-L1299 HydrophobicContact CG2-CD1 3.76Å; I1295-L1299 HydrophobicContact CG2-CG 4.42Å; I1295-L1299 WeakPolarHBondContact O-CB 3.18Å; I1295-L1299 WeakPolarHBondContact O-CG 3.49Å; I1295-L1299 PolarHBondContact O-N 3.31Å; L1296-L1299 PolarHBondContact O-N 3.48Å; L1299-N1303 WeakPolarHBondContact O-CB 3.43Å; L1299-N1303 PolarHBondContact O-N 2.99Å |
| 1300 | T | 49.5 | Very low | 48.2 | Very low | 57 Ų | 57 | 74.4 Ų | 74.4 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.2 | -42.9 | 174 | -59 | 0 | 0 | 0 | 0 | 110.4 | L1296 E1297 Q1298 N1303 N1304 | L1296-T1300 WeakPolarHBondContact O-CB 3.49Å; L1296-T1300 PolarHBondContact O-N 3.41Å; L1296-T1300 PolarHBondContact O-OG1 3.23Å; E1297-T1300 WeakPolarHBondContact O-CB 3.37Å; E1297-T1300 PolarHBondContact O-N 3.01Å; Q1298-T1300 VanDerWaalsContact C-N 3.28Å; T1300-N1303 CarbonylContact O-C 3.53Å; T1300-N1303 PolarHBondContact O-N 3.12Å; T1300-N1304 VanDerWaalsContact O-CB 3.25Å; T1300-N1304 WeakPolarHBondContact O-CB 3.29Å; T1300-N1304 PolarHBondContact O-N 3Å; T1300-N1304 PolarHBondContact O-ND2 3.02Å; T1300-N1304 VanDerWaalsContact O-ND2 3.1Å |
| 1301 | D | 52.4 | Low | 48.6 | Very low | 94 Ų | 94 | 76.8 Ų | 76.8 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 174.8 | -71.8 | -24.3 | 0 | 0 | 0 | 112.1 | E1297 Q1298 N1303 N1304 E1305 | E1297-D1301 PolarHBondContact O-N 3.06Å; Q1298-D1301 PolarHBondContact O-N 3.35Å; D1301-N1303 PolarHBondContact O-N 3.19Å; D1301-N1304 CarbonylContact O-C 3.57Å; D1301-N1304 WeakPolarHBondContact O-CA 3.3Å; D1301-N1304 WeakPolarHBondContact O-CB 3.17Å; D1301-N1304 PolarHBondContact O-N 2.58Å; D1301-N1304 VanDerWaalsContact O-N 3.08Å; D1301-E1305 PolarHBondContact O-N 3.31Å |
| 1302 | L | 46 | Very low | 49.1 | Very low | 63 Ų | 63 | 80.5 Ų | 80.5 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64 | -40 | 174.5 | -178.8 | 64.4 | 0 | 0 | 0 | 111.9 | Q1298 N1304 E1305 I1306 | Q1298-L1302 VanDerWaalsContact O-CB 3.29Å; Q1298-L1302 WeakPolarHBondContact O-CB 3.39Å; Q1298-L1302 PolarHBondContact O-N 3.14Å; L1302-N1304 VanDerWaalsContact C-N 3.31Å; L1302-E1305 PolarHBondContact O-N 2.89Å; L1302-I1306 HydrophobicContact CD1-CD1 4.05Å; L1302-I1306 HydrophobicContact CD1-CG1 4.36Å; L1302-I1306 HydrophobicContact CG-CD1 3.9Å; L1302-I1306 WeakPolarHBondContact O-CB 3.35Å; L1302-I1306 VanDerWaalsContact O-CG1 3.26Å; L1302-I1306 WeakPolarHBondContact O-CG1 3.31Å; L1302-I1306 PolarHBondContact O-N 3Å |
| 1303 | N | 48 | Very low | 49.3 | Very low | 48 Ų | 48 | 83 Ų | 83 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.3 | -31.3 | 172.3 | 178.2 | 75.1 | 0 | 0 | 0 | 111.5 | M1134 L1299 T1300 D1301 M1307 | M1134-N1303 HydrophobicContact SD-CB 3.75Å; L1299-N1303 WeakPolarHBondContact O-CB 3.43Å; L1299-N1303 PolarHBondContact O-N 2.99Å; T1300-N1303 CarbonylContact O-C 3.53Å; T1300-N1303 PolarHBondContact O-N 3.12Å; D1301-N1303 PolarHBondContact O-N 3.19Å; N1303-M1307 WeakPolarHBondContact O-CA 3.47Å; N1303-M1307 WeakPolarHBondContact O-CB 3.44Å; N1303-M1307 WeakPolarHBondContact O-CG 3.41Å; N1303-M1307 PolarHBondContact O-N 3.16Å |
| 1304 | N | 53.9 | Low | 49 | Very low | 88 Ų | 88 | 80.2 Ų | 80.2 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.1 | -37.1 | 172.9 | -74 | -29.9 | 0 | 0 | 0 | 111.5 | T1300 D1301 L1302 A1308 | T1300-N1304 VanDerWaalsContact O-CB 3.25Å; T1300-N1304 WeakPolarHBondContact O-CB 3.29Å; T1300-N1304 PolarHBondContact O-N 3Å; T1300-N1304 PolarHBondContact O-ND2 3.02Å; T1300-N1304 VanDerWaalsContact O-ND2 3.1Å; D1301-N1304 CarbonylContact O-C 3.57Å; D1301-N1304 WeakPolarHBondContact O-CA 3.3Å; D1301-N1304 WeakPolarHBondContact O-CB 3.17Å; D1301-N1304 PolarHBondContact O-N 2.58Å; D1301-N1304 VanDerWaalsContact O-N 3.08Å; L1302-N1304 VanDerWaalsContact C-N 3.31Å; N1304-A1308 WeakPolarHBondContact O-CA 3.4Å; N1304-A1308 WeakPolarHBondContact O-CB 3.37Å; N1304-A1308 PolarHBondContact O-N 3.25Å |
| 1305 | E | 51.2 | Low | 49 | Very low | 140 Ų | 140 | 78.5 Ų | 78.5 | 65% | 0.654 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.4 | -49.8 | 171.5 | -75.3 | -162.4 | 127.5 | 0 | 0 | 111.6 | D1301 L1302 M1307 A1308 W1309 | D1301-E1305 PolarHBondContact O-N 3.31Å; L1302-E1305 PolarHBondContact O-N 2.89Å; E1305-M1307 VanDerWaalsContact C-N 3.32Å; E1305-M1307 PolarHBondContact O-N 3.26Å; E1305-A1308 PolarHBondContact O-N 3.07Å; E1305-W1309 VanDerWaalsContact O-CB 3.27Å; E1305-W1309 WeakPolarHBondContact O-CB 3.39Å; E1305-W1309 PolarHBondContact O-N 3.41Å |
| 1306 | I | 46.9 | Very low | 49.3 | Very low | 72 Ų | 72 | 79.6 Ų | 79.6 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 178.3 | -70.2 | 170.9 | 0 | 0 | 0 | 110.4 | L1302 L1310 | L1302-I1306 HydrophobicContact CD1-CD1 4.05Å; L1302-I1306 HydrophobicContact CD1-CG1 4.36Å; L1302-I1306 HydrophobicContact CG-CD1 3.9Å; L1302-I1306 WeakPolarHBondContact O-CB 3.35Å; L1302-I1306 VanDerWaalsContact O-CG1 3.26Å; L1302-I1306 WeakPolarHBondContact O-CG1 3.31Å; L1302-I1306 PolarHBondContact O-N 3Å; I1306-L1310 HydrophobicContact CG2-CD1 3.73Å; I1306-L1310 HydrophobicContact CG2-CG 4.39Å; I1306-L1310 WeakPolarHBondContact O-CB 3.49Å; I1306-L1310 WeakPolarHBondContact O-CG 3.24Å; I1306-L1310 PolarHBondContact O-N 3.49Å |
| 1307 | M | 49.2 | Very low | 48.9 | Very low | 86 Ų | 86 | 81 Ų | 81 | 42% | 0.424 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.5 | -36.2 | 174.5 | -70.5 | -71.2 | -178.1 | 0 | 0 | 112.1 | N1303 E1305 L1310 H1311 | N1303-M1307 WeakPolarHBondContact O-CA 3.47Å; N1303-M1307 WeakPolarHBondContact O-CB 3.44Å; N1303-M1307 WeakPolarHBondContact O-CG 3.41Å; N1303-M1307 PolarHBondContact O-N 3.16Å; E1305-M1307 VanDerWaalsContact C-N 3.32Å; E1305-M1307 PolarHBondContact O-N 3.26Å; M1307-L1310 PolarHBondContact O-N 2.81Å; M1307-H1311 WeakPolarHBondContact O-CA 3.43Å; M1307-H1311 WeakPolarHBondContact O-CB 3.43Å; M1307-H1311 PolarHBondContact O-N 3.49Å |
| 1308 | A | 56.8 | Low | 48.4 | Very low | 63 Ų | 63 | 80.5 Ų | 80.5 | 52% | 0.521 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N1304 E1305 H1311 E1312 | N1304-A1308 WeakPolarHBondContact O-CA 3.4Å; N1304-A1308 WeakPolarHBondContact O-CB 3.37Å; N1304-A1308 PolarHBondContact O-N 3.25Å; E1305-A1308 PolarHBondContact O-N 3.07Å; A1308-H1311 PolarHBondContact O-N 2.97Å; A1308-E1312 VanDerWaalsContact O-CB 3.22Å; A1308-E1312 WeakPolarHBondContact O-CB 3.5Å; A1308-E1312 PolarHBondContact O-N 2.93Å |
| 1309 | W | 55.1 | Low | 48.4 | Very low | 128 Ų | 128 | 83.2 Ų | 83.2 | 49% | 0.485 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 174.7 | -175.9 | 75.7 | 0 | 0 | 0 | 111.9 | I1149 E1305 H1311 E1312 Y1313 | I1149-W1309 HydrophobicContact CD1-CH2 4.16Å; E1305-W1309 VanDerWaalsContact O-CB 3.27Å; E1305-W1309 WeakPolarHBondContact O-CB 3.39Å; E1305-W1309 PolarHBondContact O-N 3.41Å; W1309-H1311 VanDerWaalsContact C-N 3.34Å; W1309-H1311 PolarHBondContact O-N 2.75Å; W1309-E1312 PolarHBondContact O-N 2.98Å; W1309-Y1313 VanDerWaalsContact O-CB 3.22Å; W1309-Y1313 WeakPolarHBondContact O-CB 3.39Å; W1309-Y1313 PolarHBondContact O-N 2.91Å |
| 1310 | L | 45.7 | Very low | 48.3 | Very low | 45 Ų | 45 | 87.4 Ų | 87.4 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -69 | -29.3 | 175.6 | -74.6 | 170.5 | 0 | 0 | 0 | 113.1 | L1141 I1306 M1307 A1314 | L1141-L1310 HydrophobicContact CD1-CD1 3.66Å; L1141-L1310 HydrophobicContact CD2-CD1 3.92Å; L1141-L1310 HydrophobicContact CG-CD1 4.3Å; I1306-L1310 HydrophobicContact CG2-CD1 3.73Å; I1306-L1310 HydrophobicContact CG2-CG 4.39Å; I1306-L1310 WeakPolarHBondContact O-CB 3.49Å; I1306-L1310 WeakPolarHBondContact O-CG 3.24Å; I1306-L1310 PolarHBondContact O-N 3.49Å; M1307-L1310 PolarHBondContact O-N 2.81Å; L1310-A1314 WeakPolarHBondContact O-CA 3.46Å; L1310-A1314 WeakPolarHBondContact O-CB 3.36Å; L1310-A1314 PolarHBondContact O-N 2.8Å |
| 1311 | H | 54.6 | Low | 47.5 | Very low | 143 Ų | 143 | 88.2 Ų | 88.2 | 66% | 0.662 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -86 | -25.3 | 179 | -162 | -55 | 0 | 0 | 0 | 111.4 | M1307 A1308 W1309 A1315 | M1307-H1311 WeakPolarHBondContact O-CA 3.43Å; M1307-H1311 WeakPolarHBondContact O-CB 3.43Å; M1307-H1311 PolarHBondContact O-N 3.49Å; A1308-H1311 PolarHBondContact O-N 2.97Å; W1309-H1311 VanDerWaalsContact C-N 3.34Å; W1309-H1311 PolarHBondContact O-N 2.75Å; H1311-A1315 WeakPolarHBondContact O-CB 3.49Å; H1311-A1315 PolarHBondContact O-N 3.24Å |
| 1312 | E | 55 | Low | 46.5 | Very low | 115 Ų | 115 | 89.1 Ų | 89.1 | 54% | 0.537 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.1 | -46.8 | 163.2 | -173.2 | -174.9 | -148.8 | 0 | 0 | 110 | A1308 W1309 A1314 A1315 Q1316 | A1308-E1312 VanDerWaalsContact O-CB 3.22Å; A1308-E1312 WeakPolarHBondContact O-CB 3.5Å; A1308-E1312 PolarHBondContact O-N 2.93Å; W1309-E1312 PolarHBondContact O-N 2.98Å; E1312-A1314 PolarHBondContact O-N 2.86Å; E1312-A1315 CarbonylContact O-C 3.53Å; E1312-A1315 WeakPolarHBondContact O-CB 3.25Å; E1312-A1315 PolarHBondContact O-N 3.16Å; E1312-Q1316 WeakPolarHBondContact O-CB 3.43Å; E1312-Q1316 VanDerWaalsContact O-CG 3.3Å; E1312-Q1316 WeakPolarHBondContact O-CG 3.28Å; E1312-Q1316 PolarHBondContact O-N 3.3Å |
| 1313 | Y | 45.2 | Very low | 46.2 | Very low | 103 Ų | 103 | 94.1 Ų | 94.1 | 40% | 0.404 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 177.3 | -155.5 | -103.5 | 0 | 0 | 0 | 111.9 | W1309 Q1316 C1317 | W1309-Y1313 VanDerWaalsContact O-CB 3.22Å; W1309-Y1313 WeakPolarHBondContact O-CB 3.39Å; W1309-Y1313 PolarHBondContact O-N 2.91Å; Y1313-Q1316 CarbonylContact O-C 3.56Å; Y1313-Q1316 PolarHBondContact O-N 3.35Å; Y1313-C1317 WeakPolarHBondContact O-CB 3.49Å; Y1313-C1317 PolarHBondContact O-N 3.08Å; Y1313-C1317 PolarHBondContact O-SG 2.95Å |
| 1314 | A | 44.1 | Very low | 45.3 | Very low | 38 Ų | 38 | 97.7 Ų | 97.7 | 31% | 0.314 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.3 | -39 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1310 E1312 Q1316 C1317 I1318 | L1310-A1314 WeakPolarHBondContact O-CA 3.46Å; L1310-A1314 WeakPolarHBondContact O-CB 3.36Å; L1310-A1314 PolarHBondContact O-N 2.8Å; E1312-A1314 PolarHBondContact O-N 2.86Å; A1314-Q1316 VanDerWaalsContact C-N 3.32Å; A1314-Q1316 PolarHBondContact O-N 3.4Å; A1314-C1317 CarbonylContact O-C 3.51Å; A1314-C1317 WeakPolarHBondContact O-CA 3.44Å; A1314-C1317 PolarHBondContact O-N 3.32Å; A1314-I1318 HydrophobicContact CB-CD1 4.44Å; A1314-I1318 VanDerWaalsContact O-CB 3.31Å; A1314-I1318 WeakPolarHBondContact O-CB 3.16Å; A1314-I1318 WeakPolarHBondContact O-CG1 3.15Å; A1314-I1318 PolarHBondContact O-N 2.83Å |
| 1315 | A | 48.3 | Very low | 44.3 | Very low | 34 Ų | 34 | 101 Ų | 101 | 28% | 0.281 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H1311 E1312 C1317 I1318 Q1319 | H1311-A1315 WeakPolarHBondContact O-CB 3.49Å; H1311-A1315 PolarHBondContact O-N 3.24Å; E1312-A1315 CarbonylContact O-C 3.53Å; E1312-A1315 WeakPolarHBondContact O-CB 3.25Å; E1312-A1315 PolarHBondContact O-N 3.16Å; A1315-C1317 PolarHBondContact O-N 2.83Å; A1315-I1318 PolarHBondContact O-N 2.78Å; A1315-Q1319 VanDerWaalsContact O-CB 3.22Å; A1315-Q1319 WeakPolarHBondContact O-CB 3.4Å; A1315-Q1319 WeakPolarHBondContact O-CG 3.5Å; A1315-Q1319 PolarHBondContact O-N 2.96Å |
| 1316 | Q | 46.6 | Very low | 43.5 | Very low | 73 Ų | 73 | 99.1 Ų | 99.1 | 34% | 0.341 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.7 | -16.4 | 173.2 | -69.9 | 179.2 | 35.6 | 0 | 0 | 113.8 | E1312 Y1313 A1314 K1320 | E1312-Q1316 WeakPolarHBondContact O-CB 3.43Å; E1312-Q1316 VanDerWaalsContact O-CG 3.3Å; E1312-Q1316 WeakPolarHBondContact O-CG 3.28Å; E1312-Q1316 PolarHBondContact O-N 3.3Å; Y1313-Q1316 CarbonylContact O-C 3.56Å; Y1313-Q1316 PolarHBondContact O-N 3.35Å; A1314-Q1316 VanDerWaalsContact C-N 3.32Å; A1314-Q1316 PolarHBondContact O-N 3.4Å; Q1316-K1320 WeakPolarHBondContact O-CD 3.43Å; Q1316-K1320 VanDerWaalsContact O-CE 3.31Å; Q1316-K1320 WeakPolarHBondContact O-CE 3.4Å; Q1316-K1320 VanDerWaalsContact O-CG 3.27Å; Q1316-K1320 WeakPolarHBondContact O-CG 3.15Å; Q1316-K1320 PolarHBondContact O-NZ 2.94Å |
| 1317 | C | 39.1 | Very low | 42.7 | Very low | 64 Ų | 64 | 101.6 Ų | 101.6 | 43% | 0.432 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -93.9 | -32.9 | 171.6 | -69.1 | 0 | 0 | 0 | 0 | 112.6 | Y1313 A1314 A1315 K1320 S1321 | Y1313-C1317 WeakPolarHBondContact O-CB 3.49Å; Y1313-C1317 PolarHBondContact O-N 3.08Å; Y1313-C1317 PolarHBondContact O-SG 2.95Å; A1314-C1317 CarbonylContact O-C 3.51Å; A1314-C1317 WeakPolarHBondContact O-CA 3.44Å; A1314-C1317 PolarHBondContact O-N 3.32Å; A1315-C1317 PolarHBondContact O-N 2.83Å; C1317-K1320 CarbonylContact O-C 3.56Å; C1317-K1320 VanDerWaalsContact O-C 3.28Å; C1317-K1320 WeakPolarHBondContact O-CA 3.42Å; C1317-K1320 WeakPolarHBondContact O-CB 3.43Å; C1317-K1320 PolarHBondContact O-N 3.35Å; C1317-S1321 PolarHBondContact O-N 3.14Å |
| 1318 | I | 41.4 | Very low | 41.7 | Very low | 89 Ų | 89 | 105.3 Ų | 105.3 | 46% | 0.456 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -76.6 | -39.4 | 178.1 | -69.1 | 164.1 | 0 | 0 | 0 | 110.2 | A1314 A1315 K1320 S1321 D1322 | A1314-I1318 HydrophobicContact CB-CD1 4.44Å; A1314-I1318 VanDerWaalsContact O-CB 3.31Å; A1314-I1318 WeakPolarHBondContact O-CB 3.16Å; A1314-I1318 WeakPolarHBondContact O-CG1 3.15Å; A1314-I1318 PolarHBondContact O-N 2.83Å; A1315-I1318 PolarHBondContact O-N 2.78Å; I1318-K1320 PolarHBondContact O-N 2.95Å; I1318-S1321 WeakPolarHBondContact CA-OG 3.15Å; I1318-S1321 CarbonylContact O-C 3.53Å; I1318-S1321 PolarHBondContact O-N 3.26Å; I1318-S1321 PolarHBondContact O-OG 3.2Å; I1318-D1322 PolarHBondContact O-N 2.72Å |
| 1319 | Q | 43.9 | Very low | 40.4 | Very low | 156 Ų | 156 | 107.8 Ų | 107.8 | 73% | 0.729 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -7.8 | 163.6 | -68.3 | 176 | 9.2 | 0 | 0 | 113.2 | A1315 | A1315-Q1319 VanDerWaalsContact O-CB 3.22Å; A1315-Q1319 WeakPolarHBondContact O-CB 3.4Å; A1315-Q1319 WeakPolarHBondContact O-CG 3.5Å; A1315-Q1319 PolarHBondContact O-N 2.96Å |
| 1320 | K | 41.5 | Very low | 39 | Very low | 136 Ų | 136 | 106 Ų | 106 | 59% | 0.591 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -0 | 169.6 | -67.9 | 173.8 | -168.4 | 148.1 | 0 | 113.4 | Q1316 C1317 I1318 | Q1316-K1320 WeakPolarHBondContact O-CD 3.43Å; Q1316-K1320 VanDerWaalsContact O-CE 3.31Å; Q1316-K1320 WeakPolarHBondContact O-CE 3.4Å; Q1316-K1320 VanDerWaalsContact O-CG 3.27Å; Q1316-K1320 WeakPolarHBondContact O-CG 3.15Å; Q1316-K1320 PolarHBondContact O-NZ 2.94Å; C1317-K1320 CarbonylContact O-C 3.56Å; C1317-K1320 VanDerWaalsContact O-C 3.28Å; C1317-K1320 WeakPolarHBondContact O-CA 3.42Å; C1317-K1320 WeakPolarHBondContact O-CB 3.43Å; C1317-K1320 PolarHBondContact O-N 3.35Å; I1318-K1320 PolarHBondContact O-N 2.95Å |
| 1321 | S | 33.6 | Very low | 38.1 | Very low | 74 Ų | 74 | 110.4 Ų | 110.4 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.8 | -25.1 | 171.1 | 67.4 | 0 | 0 | 0 | 0 | 113.7 | C1317 I1318 L1323 | C1317-S1321 PolarHBondContact O-N 3.14Å; I1318-S1321 WeakPolarHBondContact CA-OG 3.15Å; I1318-S1321 CarbonylContact O-C 3.53Å; I1318-S1321 PolarHBondContact O-N 3.26Å; I1318-S1321 PolarHBondContact O-OG 3.2Å; S1321-L1323 PolarHBondContact O-N 2.89Å |
| 1322 | D | 30.7 | Very low | 36.8 | Very low | 114 Ų | 114 | 109.1 Ų | 109.1 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | trans | -75.4 | 64.5 | 173 | -84.1 | -32.2 | 0 | 0 | 0 | 112.2 | I1318 | I1318-D1322 PolarHBondContact O-N 2.72Š| ||
| 1323 | L | 40 | Very low | 35.7 | Very low | 167 Ų | 167 | 110 Ų | 110 | 87% | 0.874 | 61% | 0.61 | S | S | * | * | trans | -149.4 | 78.3 | 154.8 | -109.7 | 172.6 | 0 | 0 | 0 | 109 | S1321 | S1321-L1323 PolarHBondContact O-N 2.89Š| ||
| 1324 | N | 29.1 | Very low | 34.9 | Very low | 124 Ų | 124 | 111.2 Ų | 111.2 | 66% | 0.663 | 63% | 0.628 | S | S | * | * | trans | -59.8 | 145 | 171.6 | -60.7 | -77.7 | 0 | 0 | 0 | 111 | ||||
| 1325 | D | 31.5 | Very low | 34.4 | Very low | 156 Ų | 156 | 113.9 Ų | 113.9 | 83% | 0.834 | 65% | 0.65 | S | S | * | * | -168.4 | 157.6 | 108.5 | -100.3 | -10 | 0 | 0 | 0 | 112.7 | |||||
| 1326 | P | 34.5 | Very low | 33.7 | Very low | 102 Ų | 102 | 120.3 Ų | 120.3 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | trans | -136.1 | -178.9 | -149.6 | 44.5 | -27.2 | 0 | 0 | 0 | 115.3 | ||||
| 1327 | V | 30.9 | Very low | 33 | Very low | 123 Ų | 123 | 119.3 Ų | 119.3 | 75% | 0.745 | 69% | 0.689 | S | S | * | * | trans | 63.4 | 129 | 162.7 | -175.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1328 | I | 28.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 124.9 Ų | 124.9 | 84% | 0.841 | 71% | 0.708 | S | S | * | * | -170.6 | 144.7 | 123.8 | -97.4 | 157.1 | 0 | 0 | 0 | 110.3 | |||||
| 1329 | T | 28.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | -83.3 | 163.7 | -173.6 | 48 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1330 | S | 26 | Very low | 32 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | trans | 115.5 | 145.4 | 131.8 | 79.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1331 | N | 27.1 | Very low | 31.5 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | 75 | 96.4 | 151.7 | -57 | -16 | 0 | 0 | 0 | 120.3 | ||||
| 1332 | T | 27.9 | Very low | 31.4 | Very low | 115 Ų | 115 | 128 Ų | 128 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | 40.3 | 125.2 | 119 | 58.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1333 | D | 31 | Very low | 31.4 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | -166.5 | 119.6 | 96.5 | -98.8 | -20.1 | 0 | 0 | 0 | 116.4 | |||||
| 1334 | T | 29.8 | Very low | 30.9 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | 52.5 | 147.3 | 139.9 | 62.6 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1335 | A | 32.2 | Very low | 31 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | trans | 81.5 | 124.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1336 | D | 33.5 | Very low | 31.3 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 90% | 0.898 | 71% | 0.706 | S | S | * | * | cis | -160.1 | 170.3 | -13.6 | -151.2 | -16.1 | 0 | 0 | 0 | 111.3 | ||||
| 1337 | G | 32.6 | Very low | 31.1 | Very low | 52 Ų | 52 | 124.5 Ų | 124.5 | 54% | 0.536 | 71% | 0.706 | S | S | . | * | trans | 110.3 | 80.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1338 | H | 36.4 | Very low | 31.4 | Very low | 181 Ų | 181 | 126.5 Ų | 126.5 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | trans | 50.7 | 104.3 | 147.7 | -55.4 | -64.4 | 0 | 0 | 0 | 118.5 | ||||
| 1339 | R | 33.1 | Very low | 31.5 | Very low | 205 Ų | 205 | 127 Ų | 127 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | cis | 53.3 | 141.9 | 49.1 | -122.8 | -154.9 | 168.9 | -151.5 | -2.9 | 112.2 | T1341 | R1339-T1341 HydrophobicContact CG-CG2 4.42Š| ||
| 1340 | P | 34.7 | Very low | 31.4 | Very low | 96 Ų | 96 | 127 Ų | 127 | 62% | 0.623 | 71% | 0.712 | S | S | * | * | cis | -153.4 | 132.7 | 20.9 | 41.7 | -18.1 | 0 | 0 | 0 | 120.9 | ||||
| 1341 | T | 30.9 | Very low | 31.4 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 60% | 0.601 | 71% | 0.712 | S | S | * | * | 66.1 | 177 | 128.1 | 71.2 | 0 | 0 | 0 | 0 | 119.4 | R1339 | R1339-T1341 HydrophobicContact CG-CG2 4.42Š| |||
| 1342 | I | 31.2 | Very low | 31.4 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | cis | -155.7 | 151 | 9.3 | -147.3 | 153.6 | 0 | 0 | 0 | 112.4 | ||||
| 1343 | D | 29.4 | Very low | 31.3 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 58% | 0.583 | 72% | 0.716 | S | S | * | * | trans | 58.5 | 166.4 | 155 | -70 | -14.3 | 0 | 0 | 0 | 119.7 | ||||
| 1344 | K | 31 | Very low | 31.8 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | cis | -176 | 167.8 | -19.8 | -99.9 | 169.6 | -171.2 | 137.5 | 0 | 105.3 | ||||
| 1345 | S | 30.9 | Very low | 31.6 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | cis | -165.7 | -178 | -11.5 | 41.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1346 | D | 36.6 | Very low | 31.4 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | 71.6 | 154.1 | 156.7 | -44.4 | -45.2 | 0 | 0 | 0 | 118.6 | ||||
| 1347 | S | 30.5 | Very low | 31.2 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 72% | 0.722 | S | S | * | * | 174 | 129.4 | -58.7 | 55.4 | 0 | 0 | 0 | 0 | 108 | |||||
| 1348 | D | 38 | Very low | 30.9 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -161.1 | 166.6 | 148.9 | -110.9 | -27.9 | 0 | 0 | 0 | 113.4 | ||||
| 1349 | K | 29.7 | Very low | 30.3 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | -158.7 | 134.7 | -119.9 | 173 | -173.2 | 178.9 | -175.8 | 0 | 115.8 | |||||
| 1350 | C | 27.1 | Very low | 30 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | 177.6 | 133.6 | 152.7 | -100.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1351 | T | 25.7 | Very low | 29.6 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | cis | 69.2 | 121.6 | 18.1 | -19.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1352 | I | 28 | Very low | 29.3 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | -168.3 | 118.2 | 70.8 | -82.4 | 167.5 | 0 | 0 | 0 | 107.5 | |||||
| 1353 | E | 26.1 | Very low | 29.1 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | 85 | 155.6 | 105.3 | -60.9 | -167.8 | 141 | 0 | 0 | 117.5 | |||||
| 1354 | P | 39.7 | Very low | 28.9 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | -111.9 | 166.2 | -172.5 | 41.5 | -32.3 | 0 | 0 | 0 | 114.6 | ||||
| 1355 | E | 26.7 | Very low | 28.8 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | trans | -156.7 | 162.8 | 156.7 | -130.5 | 167.9 | -154.7 | 0 | 0 | 114.2 | ||||
| 1356 | L | 28.5 | Very low | 28.7 | Very low | 150 Ų | 150 | 143 Ų | 143 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -95.8 | 166.4 | 178.5 | -65.2 | 73.6 | 0 | 0 | 0 | 110.5 | ||||
| 1357 | I | 28.2 | Very low | 28.5 | Very low | 167 Ų | 167 | 139.4 Ų | 139.4 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | -171.6 | 148.8 | 129.5 | -99.9 | 153.1 | 0 | 0 | 0 | 111.2 | |||||
| 1358 | N | 25.9 | Very low | 28.5 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | -87.8 | 153.7 | 178.8 | -53 | -41 | 0 | 0 | 0 | 112.1 | ||||
| 1359 | N | 25.2 | Very low | 28.1 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | 151.9 | 134.6 | 121.1 | -77.3 | -17.1 | 0 | 0 | 0 | 113.4 | |||||
| 1360 | D | 25.6 | Very low | 28.2 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 3 | 122.4 | 144.4 | -47.2 | -32.2 | 0 | 0 | 0 | 118.6 | ||||
| 1361 | H | 26 | Very low | 28.4 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | 177.3 | 142.8 | 95.5 | -94.1 | -63.3 | 0 | 0 | 0 | 114.9 | |||||
| 1362 | A | 25.5 | Very low | 28.6 | Very low | 72 Ų | 72 | 142.2 Ų | 142.2 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | trans | 59.5 | 115.2 | 139.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1363 | N | 26.2 | Very low | 28.7 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | 64.4 | 129.6 | 120.9 | -54.6 | -11.5 | 0 | 0 | 0 | 122.3 | |||||
| 1364 | N | 26.5 | Very low | 28.9 | Very low | 141 Ų | 141 | 141 Ų | 141 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 58.2 | 98.4 | 137.7 | -56.5 | -3.3 | 0 | 0 | 0 | 120 | ||||
| 1365 | L | 28.8 | Very low | 28.3 | Very low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | -176.8 | 125.9 | 109.7 | -115.6 | 52.8 | 0 | 0 | 0 | 107.3 | |||||
| 1366 | E | 28.6 | Very low | 28.3 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | cis | 85 | 111.7 | 37.5 | -168.7 | -179.2 | -150.6 | 0 | 0 | 114.5 | ||||
| 1367 | G | 32.3 | Very low | 28.5 | Very low | 66 Ų | 66 | 140.6 Ų | 140.6 | 68% | 0.68 | 74% | 0.741 | S | S | * | * | trans | 125.8 | 134.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1368 | N | 30.3 | Very low | 28.5 | Very low | 117 Ų | 117 | 141 Ų | 141 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | cis | -163.8 | 172.9 | -12.9 | -126.6 | -54.1 | 0 | 0 | 0 | 111.4 | K1370 | N1368-K1370 VanDerWaalsContact OD1-CE 3.3Å; N1368-K1370 WeakPolarHBondContact OD1-CE 3.43Å | ||
| 1369 | M | 30.5 | Very low | 28.5 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | 81.2 | 99.3 | -173.3 | -53.5 | -172.9 | 174.8 | 0 | 0 | 113.2 | ||||
| 1370 | K | 31.3 | Very low | 28.6 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 70% | 0.7 | 74% | 0.737 | S | S | * | * | cis | 73.2 | 139.5 | 32.9 | -55.7 | 179.4 | 172.8 | 170.2 | 0 | 114.1 | N1368 | N1368-K1370 VanDerWaalsContact OD1-CE 3.3Å; N1368-K1370 WeakPolarHBondContact OD1-CE 3.43Å | ||
| 1371 | L | 30.6 | Very low | 28.7 | Very low | 153 Ų | 153 | 135.5 Ų | 135.5 | 80% | 0.801 | 74% | 0.736 | S | S | * | * | cis | -110.2 | 171.4 | 7 | -65.6 | 79.7 | 0 | 0 | 0 | 110.8 | ||||
| 1372 | T | 30.7 | Very low | 28.8 | Very low | 103 Ų | 103 | 134 Ų | 134 | 63% | 0.632 | 73% | 0.734 | S | S | * | * | cis | 77.8 | 144 | 15 | 74.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1373 | C | 29.4 | Very low | 28.9 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | cis | -134.4 | 155.5 | 17.2 | -79.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1374 | K | 30.1 | Very low | 29 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | 69.5 | 135.1 | 53.1 | -87.7 | -175.8 | 178.5 | -179.6 | 0 | 113.2 | |||||
| 1375 | L | 26.8 | Very low | 29.1 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | cis | -144.4 | 161.2 | 12 | -80.8 | 121.9 | 0 | 0 | 0 | 109.3 | ||||
| 1376 | K | 26.5 | Very low | 29.3 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | cis | 89.4 | 114.9 | 40.4 | -155.8 | -178.2 | -163 | -79.1 | 0 | 115.1 | ||||
| 1377 | E | 32.4 | Very low | 29.6 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | 29.1 | 136.2 | 155.4 | -58.5 | 166 | 148.2 | 0 | 0 | 122 | ||||
| 1378 | I | 29.4 | Very low | 29.7 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 90% | 0.903 | 73% | 0.733 | S | S | * | * | -172.5 | 164.3 | 126.3 | -99.1 | 156.6 | 0 | 0 | 0 | 110.8 | |||||
| 1379 | S | 26 | Very low | 29.9 | Very low | 95 Ų | 95 | 136.1 Ų | 136.1 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | -98.5 | 167.2 | -165.7 | 60.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1380 | S | 26.3 | Very low | 30 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | 71.7 | 122.1 | 141.7 | 56.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1381 | S | 29 | Very low | 30.1 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | 68.8 | 133.5 | 138.6 | 58.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1382 | D | 28.2 | Very low | 30.1 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 69.4 | 146.5 | 145 | -65.6 | -1.6 | 0 | 0 | 0 | 119.8 | ||||
| 1383 | V | 27.3 | Very low | 30.1 | Very low | 111 Ų | 111 | 130 Ų | 130 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | cis | -169.8 | 160.8 | -25 | 116.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1384 | T | 27.9 | Very low | 30.1 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | trans | 64.2 | 150.5 | 171.6 | 55.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1385 | T | 29.3 | Very low | 30 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 77% | 0.767 | 73% | 0.732 | S | S | * | * | cis | -158.1 | 161 | -9.4 | 12.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1386 | L | 33.4 | Very low | 30.1 | Very low | 147 Ų | 147 | 125 Ų | 125 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -34.3 | 153.1 | 161 | -74.5 | 157.9 | 0 | 0 | 0 | 116.9 | ||||
| 1387 | P | 34.7 | Very low | 30.2 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | -124.8 | 160.3 | 76.4 | 12.6 | 8.8 | 0 | 0 | 0 | 113.3 | |||||
| 1388 | S | 32.8 | Very low | 30.3 | Very low | 89 Ų | 89 | 123.4 Ų | 123.4 | 62% | 0.622 | 73% | 0.727 | S | S | * | * | cis | 127.5 | 153.7 | -1 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1389 | E | 35.4 | Very low | 30.2 | Very low | 191 Ų | 191 | 121.5 Ų | 121.5 | 89% | 0.893 | 72% | 0.719 | S | S | * | * | trans | 81.8 | 137.2 | -177.2 | -58.7 | -172.8 | 176.9 | 0 | 0 | 115.9 | ||||
| 1390 | A | 32.8 | Very low | 30.4 | Very low | 82 Ų | 82 | 122.5 Ų | 122.5 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | cis | -164.4 | 151.4 | -12.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1391 | V | 32.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | 63.4 | 106.5 | 155.5 | 172.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1392 | A | 31.3 | Very low | 30.6 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 66% | 0.661 | 72% | 0.722 | S | S | * | * | 74.5 | 155.6 | 71.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1393 | E | 29.4 | Very low | 30.5 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | cis | -160.3 | 159.1 | 15.3 | -151.4 | 155.8 | -124 | 0 | 0 | 110.7 | ||||
| 1394 | D | 30.5 | Very low | 30.5 | Very low | 141 Ų | 141 | 128.5 Ų | 128.5 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | trans | 59.8 | 168.8 | 152.5 | -94.3 | 31.1 | 0 | 0 | 0 | 122.8 | ||||
| 1395 | S | 29 | Very low | 30.6 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 52% | 0.524 | 73% | 0.725 | S | S | . | * | cis | -173.7 | 172.4 | -44.9 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1396 | T | 28.3 | Very low | 30.4 | Very low | 112 Ų | 112 | 129 Ų | 129 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | trans | 72.7 | 109 | 151.2 | 60.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1397 | T | 27.8 | Very low | 30 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | 53.1 | 129.5 | 125.5 | 71 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1398 | K | 34.3 | Very low | 29.6 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | -175.2 | 126.3 | 103 | -95.3 | 144.6 | -163.2 | 160.3 | 0 | 109.1 | |||||
| 1399 | N | 28.5 | Very low | 29.2 | Very low | 136 Ų | 136 | 129.5 Ų | 129.5 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | 72.7 | 141.7 | 75.1 | -71.9 | 18.4 | 0 | 0 | 0 | 113 | |||||
| 1400 | V | 29 | Very low | 28.7 | Very low | 115 Ų | 115 | 125 Ų | 125 | 70% | 0.697 | 72% | 0.718 | S | S | * | * | cis | -165.4 | -168.9 | -24.4 | 86.1 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1401 | E | 30.5 | Very low | 28.4 | Very low | 157 Ų | 157 | 130 Ų | 130 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | 75.4 | 148.6 | 175.2 | -52.7 | -160 | -166.2 | 0 | 0 | 115 | ||||
| 1402 | N | 30.4 | Very low | 28.1 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | cis | -168 | 162.6 | -15.2 | -104.4 | -21.2 | 0 | 0 | 0 | 107.1 | ||||
| 1403 | F | 26.1 | Very low | 27.8 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 69% | 0.689 | 73% | 0.733 | S | S | * | * | cis | -169.1 | 146.4 | -20.9 | -163.4 | -117.6 | 0 | 0 | 0 | 106.2 | ||||
| 1404 | M | 26.2 | Very low | 27.8 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | trans | 27.2 | 121.6 | 164.5 | -62.3 | -173.1 | 179.5 | 0 | 0 | 120.1 | ||||
| 1405 | L | 29.9 | Very low | 27.6 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 90% | 0.901 | 74% | 0.735 | S | S | * | * | -163.5 | 129.6 | 93.5 | -103 | 170.8 | 0 | 0 | 0 | 111.6 | |||||
| 1406 | A | 24.4 | Very low | 27.5 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | -101.7 | 165.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1407 | S | 25.8 | Very low | 27.6 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | 88.6 | 136.9 | 164 | -146.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1408 | L | 25.6 | Very low | 27.5 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | 68.9 | 87.2 | 158.8 | -65 | 158 | 0 | 0 | 0 | 119 | ||||
| 1409 | S | 24.9 | Very low | 27.2 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | 129.8 | 107.9 | 93.3 | -166.4 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1410 | S | 25 | Very low | 27.1 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | trans | 74.6 | 123.1 | 133.1 | 71.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1411 | K | 26.6 | Very low | 26.9 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | 91.8 | 133.1 | 151 | -65.2 | 176.9 | 177.1 | -179.7 | 0 | 119.2 | ||||
| 1412 | I | 26.6 | Very low | 26.7 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | trans | 72.6 | 90 | 165.3 | -53.3 | 149.6 | 0 | 0 | 0 | 114.2 | ||||
| 1413 | E | 26.1 | Very low | 26.5 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -160.4 | 137.7 | 147.6 | -117.8 | 161.4 | -151.4 | 0 | 0 | 111.7 | ||||
| 1414 | N | 28.2 | Very low | 26.6 | Very low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | 24.1 | 103.3 | 151.5 | -52.5 | -16 | 0 | 0 | 0 | 119.1 | S1416 | N1414-S1416 PolarHBondContact O-N 3.36Š| ||
| 1415 | I | 26.6 | Very low | 26.6 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 82% | 0.815 | 73% | 0.726 | S | S | * | * | trans | -85.5 | 93.8 | 151.7 | -60.6 | 175.9 | 0 | 0 | 0 | 107.1 | V1417 | I1415-V1417 HydrophobicContact CG2-CG2 3.96Š| ||
| 1416 | S | 26.5 | Very low | 26.7 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | -72.6 | 121.8 | 158.6 | -170.9 | 0 | 0 | 0 | 0 | 107.5 | N1414 E1418 | N1414-S1416 PolarHBondContact O-N 3.36Å; S1416-E1418 PolarHBondContact O-N 3.36Å | ||
| 1417 | V | 30.4 | Very low | 26.9 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 75% | 0.745 | 71% | 0.709 | S | S | * | * | trans | -92 | 90.2 | 169 | -176.5 | 0 | 0 | 0 | 0 | 106.7 | I1415 | I1415-V1417 HydrophobicContact CG2-CG2 3.96Š| ||
| 1418 | E | 26 | Very low | 27.1 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | trans | -56.6 | 145.7 | 161.6 | -66.9 | 178.8 | 148.1 | 0 | 0 | 108.9 | S1416 L1420 | S1416-E1418 PolarHBondContact O-N 3.36Å; E1418-L1420 VanDerWaalsContact C-N 3.29Å; E1418-L1420 PolarHBondContact O-N 2.91Å | ||
| 1419 | P | 27.2 | Very low | 27.5 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 70% | 0.695 | S | S | * | * | trans | -66 | 92.4 | 174.6 | 28.1 | -33.9 | 0 | 0 | 0 | 108.8 | S1421 | P1419-S1421 PolarHBondContact O-N 3.37Š| ||
| 1420 | L | 26.5 | Very low | 27.8 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | trans | -59.3 | 113.1 | 175.8 | -79.5 | 170.6 | 0 | 0 | 0 | 108.4 | E1418 V1422 | E1418-L1420 VanDerWaalsContact C-N 3.29Å; E1418-L1420 PolarHBondContact O-N 2.91Å; L1420-V1422 HydrophobicContact CB-CG2 3.8Å; L1420-V1422 WeakPolarHBondContact O-CG2 3.3Å; L1420-V1422 PolarHBondContact O-N 3.48Å | ||
| 1421 | S | 26.4 | Very low | 27.9 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | trans | -66.7 | 77.1 | 163.1 | 43.5 | 0 | 0 | 0 | 0 | 108.6 | P1419 N1423 | P1419-S1421 PolarHBondContact O-N 3.37Å; S1421-N1423 PolarHBondContact O-N 3.21Å | ||
| 1422 | V | 26.4 | Very low | 28.2 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 55% | 0.552 | 69% | 0.692 | S | S | * | * | trans | -70.2 | 81.1 | -179.1 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | L1420 F1424 | L1420-V1422 HydrophobicContact CB-CG2 3.8Å; L1420-V1422 WeakPolarHBondContact O-CG2 3.3Å; L1420-V1422 PolarHBondContact O-N 3.48Å; V1422-F1424 HydrophobicContact CB-CD2 4.49Å; V1422-F1424 HydrophobicContact CG1-CD2 3.85Å; V1422-F1424 HydrophobicContact CG1-CE2 3.83Å; V1422-F1424 PolarHBondContact O-N 2.91Å | ||
| 1423 | N | 24.8 | Very low | 28.4 | Very low | 130 Ų | 130 | 128 Ų | 128 | 70% | 0.695 | 69% | 0.689 | S | S | * | * | trans | -49.8 | 105 | 163 | -104.7 | -62.9 | 0 | 0 | 0 | 108.1 | S1421 S1425 | S1421-N1423 PolarHBondContact O-N 3.21Å; N1423-S1425 PolarHBondContact O-N 3.4Å | ||
| 1424 | F | 28 | Very low | 29.1 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 48% | 0.482 | 67% | 0.674 | S | S | . | * | trans | -77.5 | 51.7 | 179.2 | -106.7 | -86.4 | 0 | 0 | 0 | 110.7 | V1422 T1426 I1429 | V1422-F1424 HydrophobicContact CB-CD2 4.49Å; V1422-F1424 HydrophobicContact CG1-CD2 3.85Å; V1422-F1424 HydrophobicContact CG1-CE2 3.83Å; V1422-F1424 PolarHBondContact O-N 2.91Å; F1424-T1426 PolarHBondContact O-N 2.95Å; F1424-I1429 HydrophobicContact CD1-CD1 3.97Å; F1424-I1429 HydrophobicContact CE1-CD1 3.5Å; F1424-I1429 HydrophobicContact CZ-CD1 4.29Å | ||
| 1425 | S | 26.5 | Very low | 29.9 | Very low | 64 Ų | 64 | 120.5 Ų | 120.5 | 45% | 0.448 | 66% | 0.66 | S | S | . | * | trans | -64.1 | 100.6 | 168.6 | -49.7 | 0 | 0 | 0 | 0 | 108.5 | N1423 E1427 R1428 | N1423-S1425 PolarHBondContact O-N 3.4Å; S1425-E1427 PolarHBondContact O-N 3.11Å; S1425-R1428 PolarHBondContact O-N 2.94Å; S1425-R1428 VanDerWaalsContact O-N 3.14Å | ||
| 1426 | T | 31.3 | Very low | 30.6 | Very low | 75 Ų | 75 | 121.9 Ų | 121.9 | 46% | 0.46 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -49.2 | -27 | -172.5 | -38.2 | 0 | 0 | 0 | 0 | 113.9 | F1424 R1428 L1430 | F1424-T1426 PolarHBondContact O-N 2.95Å; T1426-R1428 VanDerWaalsContact C-N 3.34Å; T1426-R1428 PolarHBondContact O-N 2.7Å; T1426-L1430 HydrophobicContact CG2-CD1 3.97Å; T1426-L1430 PolarHBondContact O-N 3.4Å |
| 1427 | E | 30.3 | Very low | 31.5 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 81% | 0.808 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.2 | -26.9 | -178.6 | -57 | -172.4 | 144.9 | 0 | 0 | 114.9 | S1425 | S1425-E1427 PolarHBondContact O-N 3.11Å |
| 1428 | R | 29.4 | Very low | 32.1 | Very low | 214 Ų | 214 | 118.7 Ų | 118.7 | 81% | 0.808 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -84.8 | -31.9 | -178 | -74.4 | -170.1 | 178.5 | -178.5 | 2.7 | 114.3 | S1425 T1426 L1430 S1431 | S1425-R1428 PolarHBondContact O-N 2.94Å; S1425-R1428 VanDerWaalsContact O-N 3.14Å; T1426-R1428 VanDerWaalsContact C-N 3.34Å; T1426-R1428 PolarHBondContact O-N 2.7Å; R1428-L1430 VanDerWaalsContact C-N 3.34Å; R1428-S1431 WeakPolarHBondContact O-CB 3.32Å; R1428-S1431 PolarHBondContact O-OG 2.82Å |
| 1429 | I | 33.2 | Very low | 33 | Very low | 97 Ų | 97 | 114.6 Ų | 114.6 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -78.5 | -23.8 | 178.3 | -63.7 | 174.3 | 0 | 0 | 0 | 110.9 | F1424 S1431 | F1424-I1429 HydrophobicContact CD1-CD1 3.97Å; F1424-I1429 HydrophobicContact CE1-CD1 3.5Å; F1424-I1429 HydrophobicContact CZ-CD1 4.29Å; I1429-S1431 PolarHBondContact O-N 2.81Å |
| 1430 | L | 31 | Very low | 34.3 | Very low | 129 Ų | 129 | 115 Ų | 115 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | 28.4 | 173.7 | -67.9 | 174.1 | 0 | 0 | 0 | 113.9 | T1426 R1428 E1432 | T1426-L1430 HydrophobicContact CG2-CD1 3.97Å; T1426-L1430 PolarHBondContact O-N 3.4Å; R1428-L1430 VanDerWaalsContact C-N 3.34Å; L1430-E1432 PolarHBondContact O-N 3.49Å |
| 1431 | S | 28.2 | Very low | 35.7 | Very low | 71 Ų | 71 | 116.6 Ų | 116.6 | 50% | 0.497 | 63% | 0.631 | S | S | . | * | trans | -78.9 | 45.5 | -179.7 | 45.3 | 0 | 0 | 0 | 0 | 114.3 | R1428 I1429 S1433 | R1428-S1431 WeakPolarHBondContact O-CB 3.32Å; R1428-S1431 PolarHBondContact O-OG 2.82Å; I1429-S1431 PolarHBondContact O-N 2.81Å; S1431-S1433 WeakPolarHBondContact O-CB 3.34Å; S1431-S1433 PolarHBondContact O-N 3.22Å; S1431-S1433 PolarHBondContact O-OG 2.97Å | ||
| 1432 | E | 32.1 | Very low | 37 | Very low | 201 Ų | 201 | 116.3 Ų | 116.3 | 94% | 0.939 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 48.3 | 10.5 | 153.9 | -111.8 | 179.3 | -174.6 | 0 | 0 | 120.6 | L1430 | L1430-E1432 PolarHBondContact O-N 3.49Š|
| 1433 | S | 31.7 | Very low | 39.1 | Very low | 110 Ų | 110 | 116 Ų | 116 | 77% | 0.769 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -143.5 | 1.7 | -161.3 | 60.2 | 0 | 0 | 0 | 0 | 118.5 | S1431 | S1431-S1433 WeakPolarHBondContact O-CB 3.34Å; S1431-S1433 PolarHBondContact O-N 3.22Å; S1431-S1433 PolarHBondContact O-OG 2.97Å |
| 1434 | S | 41.4 | Very low | 41.8 | Very low | 71 Ų | 71 | 110.5 Ų | 110.5 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -132.9 | -51 | -174.4 | 59.3 | 0 | 0 | 0 | 0 | 115.7 | E1436 S1437 | S1434-E1436 PolarHBondContact O-N 3.43Å; S1434-S1437 WeakPolarHBondContact O-CB 3.43Å; S1434-S1437 PolarHBondContact O-N 2.71Å; S1434-S1437 PolarHBondContact O-OG 3.47Å |
| 1435 | L | 45.1 | Very low | 44.7 | Very low | 92 Ų | 92 | 110.2 Ų | 110.2 | 48% | 0.482 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -69.2 | -27.7 | -166.9 | -86.1 | 161 | 0 | 0 | 0 | 115.7 | S1437 L1438 I1484 | L1435-S1437 PolarHBondContact O-N 2.76Å; L1435-L1438 HydrophobicContact CD2-CD1 4.45Å; L1435-I1484 HydrophobicContact CD2-CG2 4.37Å |
| 1436 | E | 41.2 | Very low | 47.9 | Very low | 189 Ų | 189 | 109.2 Ų | 109.2 | 88% | 0.883 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -69 | -13.6 | 177.7 | -62.6 | -164.9 | 135.9 | 0 | 0 | 113.5 | S1434 L1438 | S1434-E1436 PolarHBondContact O-N 3.43Å; E1436-L1438 PolarHBondContact O-N 3.31Å |
| 1437 | S | 44.1 | Very low | 50.8 | Low | 97 Ų | 97 | 107.8 Ų | 107.8 | 68% | 0.678 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -79.6 | -8.3 | -175.4 | 71.2 | 0 | 0 | 0 | 0 | 115.4 | S1434 L1435 P1439 | S1434-S1437 WeakPolarHBondContact O-CB 3.43Å; S1434-S1437 PolarHBondContact O-N 2.71Å; S1434-S1437 PolarHBondContact O-OG 3.47Å; L1435-S1437 PolarHBondContact O-N 2.76Å; S1437-P1439 VanDerWaalsContact O-CD 3.3Å; S1437-P1439 WeakPolarHBondContact O-CD 3.37Å |
| 1438 | L | 42.5 | Very low | 53.7 | Low | 59 Ų | 59 | 102.7 Ų | 102.7 | 31% | 0.309 | 54% | 0.535 | S | S | . | . | trans | -59.9 | 118.1 | -178.3 | -75.5 | 172 | 0 | 0 | 0 | 111.6 | L1435 E1436 R1443 | L1435-L1438 HydrophobicContact CD2-CD1 4.45Å; E1436-L1438 PolarHBondContact O-N 3.31Å; L1438-R1443 PolarHBondContact O-NE 2.7Å; L1438-R1443 VanDerWaalsContact O-NE 3.13Å; L1438-R1443 PolarHBondContact O-NH2 3.47Å | ||
| 1439 | P | 45.4 | Very low | 56.6 | Low | 62 Ų | 62 | 94.9 Ų | 94.9 | 40% | 0.403 | 51% | 0.507 | S | S | . | . | trans | -55.4 | 153.4 | 176.4 | -25.5 | 34.5 | 0 | 0 | 0 | 112.4 | S1437 E1441 Q1442 | S1437-P1439 VanDerWaalsContact O-CD 3.3Å; S1437-P1439 WeakPolarHBondContact O-CD 3.37Å; P1439-E1441 PolarHBondContact O-N 2.97Å; P1439-Q1442 HydrophobicContact CB-CG 4.32Å; P1439-Q1442 HydrophobicContact CG-CG 4.36Å; P1439-Q1442 PolarHBondContact O-N 3.5Å | ||
| 1440 | V | 55.4 | Low | 59.4 | Low | 129 Ų | 129 | 94.5 Ų | 94.5 | 78% | 0.782 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -59.6 | -29.7 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | Q1442 | V1440-Q1442 PolarHBondContact O-N 2.84Š|
| 1441 | E | 54.5 | Low | 62.2 | Low | 175 Ų | 175 | 92.9 Ų | 92.9 | 82% | 0.818 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -72.6 | -3.5 | 175.2 | -59.4 | 174.2 | -175.4 | 0 | 0 | 114.3 | P1439 N1487 | P1439-E1441 PolarHBondContact O-N 2.97Å; E1441-N1487 PolarHBondContact O-ND2 3.47Å; E1441-N1487 VanDerWaalsContact O-ND2 3.08Å; E1441-N1487 PolarHBondContact O-OD1 2.84Å |
| 1442 | Q | 53.9 | Low | 65.2 | Low | 104 Ų | 104 | 89.9 Ų | 89.9 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -117.5 | 14.5 | -178.3 | -63.8 | -171.1 | -4.2 | 0 | 0 | 113.4 | P1439 V1440 N1487 | P1439-Q1442 HydrophobicContact CB-CG 4.32Å; P1439-Q1442 HydrophobicContact CG-CG 4.36Å; P1439-Q1442 PolarHBondContact O-N 3.5Å; V1440-Q1442 PolarHBondContact O-N 2.84Å; Q1442-N1487 VanDerWaalsContact C-CG 3.43Å; Q1442-N1487 WeakPolarHBondContact CA-OD1 3.48Å |
| 1443 | R | 70.3 | Confident | 67.9 | Low | 84 Ų | 84 | 81.4 Ų | 81.4 | 32% | 0.317 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -110.4 | 135.6 | -179.5 | -59.6 | -177.5 | -168.6 | -148.8 | 5 | 111.5 | L1438 T1483 N1487 | L1438-R1443 PolarHBondContact O-NE 2.7Å; L1438-R1443 VanDerWaalsContact O-NE 3.13Å; L1438-R1443 PolarHBondContact O-NH2 3.47Å; R1443-T1483 PolarHBondContact NH1-O 3.13Å; R1443-N1487 PolarHBondContact N-OD1 3.33Å; R1443-N1487 VanDerWaalsContact N-OD1 3.13Å; R1443-N1487 PolarHBondContact O-OD1 2.85Å |
| 1444 | G | 82.4 | Confident | 70.6 | Confident | 15 Ų | 15 | 85.3 Ų | 85.3 | 16% | 0.155 | 45% | 0.448 | C | S | . | . | trans | -64.5 | 169.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1485 P1486 I1489 | G1444-L1485 PolarHBondContact N-O 2.76Å; G1444-P1486 WeakPolarHBondContact CA-O 3.43Å; G1444-P1486 PolarHBondContact N-O 3Å; G1444-I1489 VanDerWaalsContact CA-O 3.28Å; G1444-I1489 WeakPolarHBondContact CA-O 3.44Å | ||
| 1445 | Q | 88.8 | Confident | 72.8 | Confident | 104 Ų | 104 | 84.3 Ų | 84.3 | 49% | 0.486 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 116.8 | -172.2 | -65.1 | 174.9 | 28.8 | 0 | 0 | 111.2 | I1447 I1489 I1490 V1491 | Q1445-I1447 HydrophobicContact CB-CD1 4.4Å; Q1445-I1447 HydrophobicContact CB-CG1 4.38Å; Q1445-I1489 PolarHBondContact N-O 2.82Å; Q1445-I1490 HydrophobicContact CB-CG1 4.2Å; Q1445-I1490 HydrophobicContact CB-CG2 4.1Å; Q1445-I1490 CarbonylContact O-C 3.56Å; Q1445-I1490 WeakPolarHBondContact O-CA 3.32Å; Q1445-I1490 WeakPolarHBondContact O-CG2 3.39Å; Q1445-V1491 PolarHBondContact O-N 2.73Å |
| 1446 | F | 92.9 | Very high | 75.1 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 18% | 0.184 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.3 | 163.4 | -179 | -105 | 0 | 0 | 0 | 109.6 | M1448 I1478 L1481 V1491 Y1501 | F1446-M1448 HydrophobicContact CE1-CG 3.98Å; F1446-M1448 HydrophobicContact CE1-SD 3.9Å; F1446-M1448 HydrophobicContact CZ-CG 4.26Å; F1446-M1448 HydrophobicContact CZ-SD 3.56Å; F1446-M1448 VanDerWaalsContact CZ-SD 3.56Å; F1446-I1478 HydrophobicContact CE1-CG1 4.35Å; F1446-I1478 HydrophobicContact CE1-CG2 3.82Å; F1446-I1478 HydrophobicContact CZ-CG1 3.96Å; F1446-I1478 HydrophobicContact CZ-CG2 4.29Å; F1446-L1481 HydrophobicContact CB-CB 4.32Å; F1446-L1481 HydrophobicContact CD2-CB 3.78Å; F1446-L1481 HydrophobicContact CD2-CD1 4.08Å; F1446-L1481 HydrophobicContact CE2-CB 4.36Å; F1446-L1481 HydrophobicContact CE2-CD1 3.98Å; F1446-L1481 HydrophobicContact CG-CB 4.07Å; F1446-V1491 WeakPolarHBondContact CA-O 3.17Å; F1446-V1491 HydrophobicContact CD2-CB 4.08Å; F1446-V1491 HydrophobicContact CD2-CG1 4.01Å; F1446-V1491 HydrophobicContact CE2-CG1 4.14Å; F1446-Y1501 HydrophobicContact CE2-CD1 4.16Å; F1446-Y1501 AromaticContact CE2-CE1 3.83Å; F1446-Y1501 HydrophobicContact CE2-CE1 3.83Å; F1446-Y1501 HydrophobicContact CZ-CE1 4.04Å |
| 1447 | I | 92.3 | Very high | 77.5 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.1 | -174.5 | -57.7 | 171.9 | 0 | 0 | 0 | 108.6 | Q1445 E1449 I1490 V1491 K1492 G1493 | Q1445-I1447 HydrophobicContact CB-CD1 4.4Å; Q1445-I1447 HydrophobicContact CB-CG1 4.38Å; I1447-E1449 HydrophobicContact CG2-CG 4.03Å; I1447-I1490 HydrophobicContact CD1-CG2 4.25Å; I1447-V1491 PolarHBondContact N-O 3.18Å; I1447-K1492 HydrophobicContact CB-CG 4.32Å; I1447-K1492 CarbonylContact O-C 3.6Å; I1447-K1492 VanDerWaalsContact O-CA 3.3Å; I1447-K1492 WeakPolarHBondContact O-CA 3.06Å; I1447-G1493 PolarHBondContact O-N 3.11Å |
| 1448 | M | 91.4 | Very high | 79.9 | Confident | 66 Ų | 66 | 73.6 Ų | 73.6 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125 | 164.6 | -69 | -59.2 | -55.8 | 0 | 0 | 109 | F1446 G1493 F1494 E1495 | F1446-M1448 HydrophobicContact CE1-CG 3.98Å; F1446-M1448 HydrophobicContact CE1-SD 3.9Å; F1446-M1448 HydrophobicContact CZ-CG 4.26Å; F1446-M1448 HydrophobicContact CZ-SD 3.56Å; F1446-M1448 VanDerWaalsContact CZ-SD 3.56Å; M1448-G1493 CarbonylContact C-O 3.55Å; M1448-G1493 WeakPolarHBondContact CA-O 3.41Å; M1448-F1494 VanDerWaalsContact CE-C 3.49Å; M1448-E1495 HydrophobicContact CB-CG 4.26Å; M1448-E1495 HydrophobicContact CE-CG 3.92Å |
| 1449 | E | 91.4 | Very high | 82.2 | Confident | 50 Ų | 50 | 75.2 Ų | 75.2 | 23% | 0.234 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 144.2 | 172 | -64.9 | -166.7 | 157.5 | 0 | 0 | 110.6 | I1447 T1451 K1492 G1493 F1494 E1495 | I1447-E1449 HydrophobicContact CG2-CG 4.03Å; E1449-T1451 PolarHBondContact O-N 3.31Å; E1449-T1451 VanDerWaalsContact O-N 3.13Å; E1449-K1492 HydrophobicContact CG-CD 4.4Å; E1449-K1492 WeakPolarHBondContact OE1-CE 3.41Å; E1449-K1492 IonicContact OE1-NZ 2.73Å; E1449-K1492 PolarHBondContact OE1-NZ 3.42Å; E1449-G1493 PolarHBondContact N-O 3.35Å; E1449-F1494 HydrophobicContact CB-CD1 4.04Å; E1449-F1494 HydrophobicContact CB-CE1 4.25Å; E1449-F1494 CarbonylContact O-C 3.59Å; E1449-F1494 WeakPolarHBondContact O-CA 3.22Å; E1449-E1495 PolarHBondContact O-N 3.17Å |
| 1450 | P | 90.8 | Very high | 84.1 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 57% | 0.571 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -64.3 | -21.5 | -171.5 | -26.4 | 36.2 | 0 | 0 | 0 | 116 | ||
| 1451 | T | 90.7 | Very high | 85.4 | Confident | 95 Ų | 95 | 75.6 Ų | 75.6 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -144.8 | 131.2 | -171.8 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | E1449 D1496 | E1449-T1451 PolarHBondContact O-N 3.31Å; E1449-T1451 VanDerWaalsContact O-N 3.13Å; T1451-D1496 WeakPolarHBondContact CA-OD1 3.39Å |
| 1452 | A | 90.2 | Very high | 86.1 | Confident | 8 Ų | 8 | 74.5 Ų | 74.5 | 7% | 0.066 | 36% | 0.364 | C | S | . | . | trans | -67.2 | 140.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1459 F1494 D1496 R1497 L1500 | A1452-Y1459 HydrophobicContact CB-CD2 4.01Å; A1452-Y1459 HydrophobicContact CB-CE2 4.03Å; A1452-Y1459 WeakPolarHBondContact O-CE2 3.44Å; A1452-F1494 HydrophobicContact CB-CB 3.82Å; A1452-F1494 HydrophobicContact CB-CD1 4.34Å; A1452-F1494 HydrophobicContact CB-CD2 3.93Å; A1452-F1494 HydrophobicContact CB-CG 3.75Å; A1452-D1496 VanDerWaalsContact N-CG 3.33Å; A1452-D1496 PolarHBondContact N-OD1 3.02Å; A1452-D1496 PolarHBondContact N-OD2 3.49Å; A1452-D1496 VanDerWaalsContact N-OD2 3.1Å; A1452-R1497 HydrophobicContact CB-CB 3.82Å; A1452-R1497 HydrophobicContact CB-CG 3.77Å; A1452-L1500 HydrophobicContact CB-CD1 4.32Å | ||
| 1453 | P | 89.7 | Confident | 86.6 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | trans | -77.7 | 135.4 | -179.6 | 31 | -32.3 | 0 | 0 | 0 | 110.1 | N1455 H1456 Y1459 F1494 H1639 | P1453-N1455 PolarHBondContact O-N 3.44Å; P1453-H1456 HydrophobicContact CG-CB 4.24Å; P1453-H1456 WeakPolarHBondContact O-CB 3.34Å; P1453-H1456 PolarHBondContact O-N 3.1Å; P1453-Y1459 WeakPolarHBondContact O-CD2 3.3Å; P1453-F1494 VanDerWaalsContact CD-CZ 3.48Å; P1453-F1494 HydrophobicContact CG-CE1 4.39Å; P1453-F1494 HydrophobicContact CG-CZ 4.11Å; P1453-H1639 HydrophobicContact CG-CB 4.42Å; P1453-H1639 WeakPolarHBondContact CG-ND1 3.38Å | ||
| 1454 | Y | 88.5 | Confident | 86.4 | Confident | 193 Ų | 193 | 77.3 Ų | 77.3 | 76% | 0.757 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18.6 | -174.8 | 67.3 | -92 | 0 | 0 | 0 | 114.6 | ||
| 1455 | N | 87.9 | Confident | 86 | Confident | 50 Ų | 50 | 83.4 Ų | 83.4 | 27% | 0.267 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.1 | 177.3 | 76 | -53.5 | 0 | 0 | 0 | 113.6 | P1453 R1457 Y1538 | P1453-N1455 PolarHBondContact O-N 3.44Å; N1455-R1457 PolarHBondContact O-N 3.08Å; N1455-Y1538 PolarHBondContact O-OH 2.8Å |
| 1456 | H | 92.8 | Very high | 85.7 | Confident | 6 Ų | 6 | 80.2 Ų | 80.2 | 3% | 0.028 | 40% | 0.398 | C | S | . | . | trans | -60 | 130.2 | 173.5 | -172.8 | -82.1 | 0 | 0 | 0 | 109.8 | P1453 F1458 Y1459 F1494 Y1501 S1502 D1521 V1522 | P1453-H1456 HydrophobicContact CG-CB 4.24Å; P1453-H1456 WeakPolarHBondContact O-CB 3.34Å; P1453-H1456 PolarHBondContact O-N 3.1Å; H1456-F1458 AromaticContact CE1-CD2 3.83Å; H1456-F1458 PolarHBondContact ND1-N 3.04Å; H1456-F1458 VanDerWaalsContact ND1-N 3.18Å; H1456-F1458 PolarHBondContact O-N 3.21Å; H1456-Y1459 VanDerWaalsContact O-CB 3.25Å; H1456-Y1459 WeakPolarHBondContact O-CB 3.46Å; H1456-Y1459 PolarHBondContact O-N 3.45Å; H1456-F1494 AromaticContact CD2-CE2 3.96Å; H1456-Y1501 PolarHBondContact NE2-O 2.76Å; H1456-S1502 PolarHBondContact CD2-OG 3.35Å; H1456-D1521 WeakPolarHBondContact CA-OD2 3.25Å; H1456-D1521 IonicContact CD2-OD1 3.45Å; H1456-D1521 PolarHBondContact CD2-OD1 3.41Å; H1456-D1521 IonicContact CD2-OD2 3.65Å; H1456-D1521 PolarHBondContact CD2-OD2 2.74Å; H1456-D1521 VanDerWaalsContact CD2-OD2 3.3Å; H1456-D1521 IonicContact CG-OD1 3.82Å; H1456-D1521 IonicContact CG-OD2 3.01Å; H1456-D1521 VanDerWaalsContact CG-OD2 3.3Å; H1456-D1521 IonicContact ND1-OD2 2.66Å; H1456-D1521 IonicContact NE2-OD1 2.77Å; H1456-D1521 PolarHBondContact NE2-OD1 2.93Å; H1456-D1521 IonicContact NE2-OD2 2.69Å; H1456-V1522 PolarHBondContact CE1-O 3.13Å | ||
| 1457 | R | 92.1 | Very high | 85.4 | Confident | 116 Ų | 116 | 80.6 Ų | 80.6 | 44% | 0.438 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -35.6 | -173.5 | -179 | 63.5 | 166 | -141.8 | -6.4 | 113.1 | N1455 D1521 H1536 Y1538 | N1455-R1457 PolarHBondContact O-N 3.08Å; R1457-D1521 HydrophobicContact CB-CB 4.09Å; R1457-D1521 PolarHBondContact N-OD2 3.31Å; R1457-H1536 HydrophobicContact CB-CB 4.11Å; R1457-H1536 HydrophobicContact CG-CB 3.76Å; R1457-H1536 VanDerWaalsContact CG-CD2 3.44Å; R1457-H1536 WeakPolarHBondContact CG-CD2 3.22Å; R1457-H1536 VanDerWaalsContact CZ-CE1 3.43Å; R1457-H1536 PolarHBondContact NH1-CE1 3.45Å; R1457-H1536 PolarHBondContact NH1-NE2 3.49Å; R1457-H1536 VanDerWaalsContact NH1-NE2 3.18Å; R1457-Y1538 PolarHBondContact N-OH 2.93Å |
| 1458 | F | 93.2 | Very high | 85.2 | Confident | 30 Ų | 30 | 87.7 Ų | 87.7 | 13% | 0.132 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 8.2 | -175.3 | -55.1 | -77.4 | 0 | 0 | 0 | 113.1 | H1456 Q1460 S1461 L1500 D1521 Q1534 H1536 | H1456-F1458 AromaticContact CE1-CD2 3.83Å; H1456-F1458 PolarHBondContact ND1-N 3.04Å; H1456-F1458 VanDerWaalsContact ND1-N 3.18Å; H1456-F1458 PolarHBondContact O-N 3.21Å; F1458-Q1460 PolarHBondContact O-N 2.97Å; F1458-Q1460 VanDerWaalsContact O-N 3.15Å; F1458-S1461 VanDerWaalsContact O-CB 3.28Å; F1458-S1461 WeakPolarHBondContact O-CB 3.33Å; F1458-S1461 PolarHBondContact O-N 2.87Å; F1458-S1461 PolarHBondContact O-OG 2.91Å; F1458-L1500 HydrophobicContact CB-CD2 3.66Å; F1458-D1521 HydrophobicContact CD2-CB 4.19Å; F1458-D1521 HydrophobicContact CE2-CB 4.25Å; F1458-Q1534 HydrophobicContact CD1-CB 4.42Å; F1458-Q1534 HydrophobicContact CE1-CB 3.6Å; F1458-Q1534 HydrophobicContact CZ-CB 3.68Å; F1458-H1536 HydrophobicContact CE2-CB 4.01Å; F1458-H1536 HydrophobicContact CZ-CB 4.12Å |
| 1459 | Y | 90.7 | Very high | 85 | Confident | 94 Ų | 94 | 88.8 Ų | 88.8 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -38.6 | 179.3 | -169.8 | -94.1 | 0 | 0 | 0 | 112.9 | A1452 P1453 H1456 S1461 R1497 | A1452-Y1459 HydrophobicContact CB-CD2 4.01Å; A1452-Y1459 HydrophobicContact CB-CE2 4.03Å; A1452-Y1459 WeakPolarHBondContact O-CE2 3.44Å; P1453-Y1459 WeakPolarHBondContact O-CD2 3.3Å; H1456-Y1459 VanDerWaalsContact O-CB 3.25Å; H1456-Y1459 WeakPolarHBondContact O-CB 3.46Å; H1456-Y1459 PolarHBondContact O-N 3.45Å; Y1459-S1461 PolarHBondContact O-N 2.86Å; Y1459-R1497 PolarHBondContact O-NH1 3.37Å |
| 1460 | Q | 87.2 | Confident | 85.1 | Confident | 151 Ų | 151 | 86.4 Ų | 86.4 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 5.8 | 177.8 | -62.6 | -171.9 | 2.2 | 0 | 0 | 114.9 | F1458 | F1458-Q1460 PolarHBondContact O-N 2.97Å; F1458-Q1460 VanDerWaalsContact O-N 3.15Å |
| 1461 | S | 81.7 | Confident | 85.1 | Confident | 48 Ų | 48 | 85.2 Ų | 85.2 | 34% | 0.336 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -74.2 | 138 | 173.9 | 74.6 | 0 | 0 | 0 | 0 | 110.4 | F1458 Y1459 Q1463 R1497 | F1458-S1461 VanDerWaalsContact O-CB 3.28Å; F1458-S1461 WeakPolarHBondContact O-CB 3.33Å; F1458-S1461 PolarHBondContact O-N 2.87Å; F1458-S1461 PolarHBondContact O-OG 2.91Å; Y1459-S1461 PolarHBondContact O-N 2.86Å; S1461-Q1463 PolarHBondContact O-N 3.46Å; S1461-R1497 PolarHBondContact O-NH1 3.17Å; S1461-R1497 PolarHBondContact O-NH2 2.84Å; S1461-R1497 PolarHBondContact OG-NH2 2.87Å |
| 1462 | N | 68.7 | Low | 85.1 | Confident | 152 Ų | 152 | 88.6 Ų | 88.6 | 81% | 0.813 | 43% | 0.427 | S | S | * | . | trans | -79.3 | 115.1 | -178.8 | -74.3 | -31.6 | 0 | 0 | 0 | 110.9 | K1464 | N1462-K1464 PolarHBondContact O-N 2.75Š| ||
| 1463 | Q | 65.4 | Low | 85.2 | Confident | 96 Ų | 96 | 88.6 Ų | 88.6 | 45% | 0.449 | 43% | 0.427 | S | S | . | . | trans | -62.5 | 102.9 | 164.9 | -85.8 | -175.6 | -15.5 | 0 | 0 | 110.3 | S1461 D1496 D1499 | S1461-Q1463 PolarHBondContact O-N 3.46Å; Q1463-D1496 PolarHBondContact NE2-O 2.96Å; Q1463-D1496 VanDerWaalsContact NE2-O 3.13Å; Q1463-D1499 PolarHBondContact NE2-OD1 3.5Å | ||
| 1464 | K | 65.4 | Low | 85.2 | Confident | 150 Ų | 150 | 88 Ų | 88 | 65% | 0.652 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 160.9 | 158.5 | -66.4 | -175 | 177.7 | -177.6 | 0 | 109.1 | N1462 L1466 | N1462-K1464 PolarHBondContact O-N 2.75Å; K1464-L1466 PolarHBondContact O-N 2.76Å; K1464-L1466 VanDerWaalsContact O-N 3.12Å |
| 1465 | T | 73.5 | Confident | 85.4 | Confident | 143 Ų | 143 | 87.1 Ų | 87.1 | 88% | 0.877 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 116.9 | 174.5 | 33.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1466 | L | 83.4 | Confident | 85.6 | Confident | 37 Ų | 37 | 88.4 Ų | 88.4 | 19% | 0.194 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 129 | -170.3 | -66.5 | 170.4 | 0 | 0 | 0 | 111.5 | K1464 F1470 I1498 | K1464-L1466 PolarHBondContact O-N 2.76Å; K1464-L1466 VanDerWaalsContact O-N 3.12Å; L1466-F1470 HydrophobicContact CB-CD1 4.06Å; L1466-F1470 HydrophobicContact CB-CG 4.36Å; L1466-F1470 HydrophobicContact CD1-CD1 4.04Å; L1466-F1470 HydrophobicContact CD1-CE1 3.73Å; L1466-F1470 HydrophobicContact CD1-CZ 4.31Å; L1466-F1470 HydrophobicContact CD2-CD1 4.04Å; L1466-F1470 HydrophobicContact CD2-CD2 4.06Å; L1466-F1470 HydrophobicContact CD2-CE1 3.96Å; L1466-F1470 HydrophobicContact CD2-CE2 3.96Å; L1466-F1470 HydrophobicContact CD2-CG 4.11Å; L1466-F1470 HydrophobicContact CD2-CZ 3.92Å; L1466-F1470 HydrophobicContact CG-CD1 4.27Å; L1466-F1470 HydrophobicContact CG-CE1 4.29Å; L1466-I1498 HydrophobicContact CD1-CD1 3.82Å; L1466-I1498 HydrophobicContact CD1-CG1 3.88Å |
| 1467 | P | 86.5 | Confident | 85.6 | Confident | 50 Ų | 50 | 88.1 Ų | 88.1 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 157.8 | -179.5 | -28.9 | 37.5 | 0 | 0 | 0 | 114.8 | T1469 F1470 H1471 S1526 | P1467-T1469 WeakPolarHBondContact CB-OG1 3.49Å; P1467-T1469 PolarHBondContact O-N 3.38Å; P1467-F1470 HydrophobicContact CB-CB 4.4Å; P1467-F1470 WeakPolarHBondContact O-CB 3.5Å; P1467-F1470 PolarHBondContact O-N 2.74Å; P1467-F1470 VanDerWaalsContact O-N 3.15Å; P1467-H1471 PolarHBondContact O-CD2 3.34Å; P1467-H1471 PolarHBondContact O-N 3.04Å; P1467-H1471 VanDerWaalsContact O-N 3.1Å; P1467-S1526 WeakPolarHBondContact CD-O 3.32Å; P1467-S1526 WeakPolarHBondContact CG-O 3.5Å |
| 1468 | K | 87.5 | Confident | 85.6 | Confident | 196 Ų | 196 | 85 Ų | 85 | 85% | 0.852 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.2 | -29.2 | 171.8 | -68.7 | 178.1 | -178.8 | 171.6 | 0 | 112.6 | K1472 | K1468-K1472 WeakPolarHBondContact O-CB 3.28Å; K1468-K1472 PolarHBondContact O-N 3.16Å |
| 1469 | T | 88.5 | Confident | 85.5 | Confident | 89 Ų | 89 | 86.8 Ų | 86.8 | 55% | 0.546 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 173.1 | 43.6 | 0 | 0 | 0 | 0 | 111.7 | P1467 H1471 K1472 A1473 | P1467-T1469 WeakPolarHBondContact CB-OG1 3.49Å; P1467-T1469 PolarHBondContact O-N 3.38Å; T1469-H1471 PolarHBondContact O-N 3.46Å; T1469-K1472 WeakPolarHBondContact O-CA 3.49Å; T1469-K1472 WeakPolarHBondContact O-CB 3.25Å; T1469-K1472 PolarHBondContact O-N 3.39Å; T1469-A1473 PolarHBondContact O-N 3.28Å |
| 1470 | F | 92.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -53 | -53.9 | 172.9 | -174.8 | -78.9 | 0 | 0 | 0 | 110.8 | L1466 P1467 K1472 A1473 L1474 D1499 L1524 A1525 Y1528 | L1466-F1470 HydrophobicContact CB-CD1 4.06Å; L1466-F1470 HydrophobicContact CB-CG 4.36Å; L1466-F1470 HydrophobicContact CD1-CD1 4.04Å; L1466-F1470 HydrophobicContact CD1-CE1 3.73Å; L1466-F1470 HydrophobicContact CD1-CZ 4.31Å; L1466-F1470 HydrophobicContact CD2-CD1 4.04Å; L1466-F1470 HydrophobicContact CD2-CD2 4.06Å; L1466-F1470 HydrophobicContact CD2-CE1 3.96Å; L1466-F1470 HydrophobicContact CD2-CE2 3.96Å; L1466-F1470 HydrophobicContact CD2-CG 4.11Å; L1466-F1470 HydrophobicContact CD2-CZ 3.92Å; L1466-F1470 HydrophobicContact CG-CD1 4.27Å; L1466-F1470 HydrophobicContact CG-CE1 4.29Å; P1467-F1470 HydrophobicContact CB-CB 4.4Å; P1467-F1470 WeakPolarHBondContact O-CB 3.5Å; P1467-F1470 PolarHBondContact O-N 2.74Å; P1467-F1470 VanDerWaalsContact O-N 3.15Å; F1470-K1472 PolarHBondContact O-N 3Å; F1470-A1473 PolarHBondContact O-N 3.34Å; F1470-L1474 HydrophobicContact CE1-CD1 4.03Å; F1470-L1474 HydrophobicContact CE1-CD2 4.07Å; F1470-L1474 HydrophobicContact CE1-CG 4.45Å; F1470-L1474 HydrophobicContact CZ-CD1 4.32Å; F1470-L1474 VanDerWaalsContact O-CB 3.31Å; F1470-L1474 WeakPolarHBondContact O-CB 3.19Å; F1470-L1474 PolarHBondContact O-N 3.34Å; F1470-D1499 HydrophobicContact CZ-CB 4Å; F1470-L1524 HydrophobicContact CE2-CB 3.75Å; F1470-L1524 HydrophobicContact CZ-CB 3.88Å; F1470-L1524 HydrophobicContact CZ-CD1 4.11Å; F1470-A1525 WeakPolarHBondContact CE2-O 3.47Å; F1470-Y1528 WeakPolarHBondContact CA-O 3.49Å; F1470-Y1528 HydrophobicContact CD2-CD1 4.42Å; F1470-Y1528 HydrophobicContact CE2-CD1 4.46Å |
| 1471 | H | 90.3 | Very high | 85.9 | Confident | 63 Ų | 63 | 77.1 Ų | 77.1 | 29% | 0.292 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.8 | -19.7 | 177.2 | -70.2 | -68.8 | 0 | 0 | 0 | 114.4 | P1467 T1469 R1475 | P1467-H1471 PolarHBondContact O-CD2 3.34Å; P1467-H1471 PolarHBondContact O-N 3.04Å; P1467-H1471 VanDerWaalsContact O-N 3.1Å; T1469-H1471 PolarHBondContact O-N 3.46Å; H1471-R1475 VanDerWaalsContact O-CG 3.3Å; H1471-R1475 WeakPolarHBondContact O-CG 3.4Å; H1471-R1475 PolarHBondContact O-NH1 3.21Å |
| 1472 | K | 91.2 | Very high | 86.2 | Confident | 165 Ų | 165 | 78.1 Ų | 78.1 | 72% | 0.717 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -77.7 | -47.6 | 172.9 | -173.1 | -169.8 | 174.8 | -165.5 | 0 | 110.4 | K1468 T1469 F1470 R1476 | K1468-K1472 WeakPolarHBondContact O-CB 3.28Å; K1468-K1472 PolarHBondContact O-N 3.16Å; T1469-K1472 WeakPolarHBondContact O-CA 3.49Å; T1469-K1472 WeakPolarHBondContact O-CB 3.25Å; T1469-K1472 PolarHBondContact O-N 3.39Å; F1470-K1472 PolarHBondContact O-N 3Å; K1472-R1476 PolarHBondContact O-N 2.95Å |
| 1473 | A | 91.7 | Very high | 86.9 | Confident | 9 Ų | 9 | 73.7 Ų | 73.7 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T1469 F1470 R1475 R1476 D1477 Y1528 P1529 | T1469-A1473 PolarHBondContact O-N 3.28Å; F1470-A1473 PolarHBondContact O-N 3.34Å; A1473-R1475 VanDerWaalsContact C-N 3.28Å; A1473-R1475 PolarHBondContact O-N 3.18Å; A1473-R1476 WeakPolarHBondContact O-CA 3.24Å; A1473-R1476 WeakPolarHBondContact O-CB 3.39Å; A1473-R1476 PolarHBondContact O-N 2.97Å; A1473-D1477 PolarHBondContact O-N 3.12Å; A1473-Y1528 HydrophobicContact CB-CD1 4.19Å; A1473-Y1528 HydrophobicContact CB-CE1 3.88Å; A1473-P1529 HydrophobicContact CB-CB 3.96Å; A1473-P1529 HydrophobicContact CB-CG 3.72Å |
| 1474 | L | 91.7 | Very high | 87.8 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55 | -40.8 | 179.8 | -157.7 | 80 | 0 | 0 | 0 | 112.8 | F1470 D1477 I1478 I1498 Y1501 L1524 | F1470-L1474 HydrophobicContact CE1-CD1 4.03Å; F1470-L1474 HydrophobicContact CE1-CD2 4.07Å; F1470-L1474 HydrophobicContact CE1-CG 4.45Å; F1470-L1474 HydrophobicContact CZ-CD1 4.32Å; F1470-L1474 VanDerWaalsContact O-CB 3.31Å; F1470-L1474 WeakPolarHBondContact O-CB 3.19Å; F1470-L1474 PolarHBondContact O-N 3.34Å; L1474-D1477 PolarHBondContact O-N 3.26Å; L1474-I1478 HydrophobicContact CD2-CD1 4.2Å; L1474-I1478 HydrophobicContact CG-CD1 3.99Å; L1474-I1478 WeakPolarHBondContact O-CB 3.44Å; L1474-I1478 VanDerWaalsContact O-CG1 3.25Å; L1474-I1478 WeakPolarHBondContact O-CG1 3.25Å; L1474-I1478 PolarHBondContact O-N 3.46Å; L1474-I1498 HydrophobicContact CD2-CB 4.13Å; L1474-I1498 HydrophobicContact CD2-CD1 4.1Å; L1474-I1498 HydrophobicContact CD2-CG1 4.33Å; L1474-Y1501 HydrophobicContact CD1-CE2 4.09Å; L1474-Y1501 WeakPolarHBondContact CD1-OH 3.36Å; L1474-L1524 HydrophobicContact CD1-CD1 3.44Å; L1474-L1524 VanDerWaalsContact CD1-CD1 3.44Å |
| 1475 | R | 91.2 | Very high | 88.9 | Confident | 174 Ų | 174 | 65.1 Ų | 65.1 | 66% | 0.657 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | 175.5 | -74.9 | -176.7 | -163 | 103 | -8.2 | 112.8 | H1471 A1473 D1477 S1479 | H1471-R1475 VanDerWaalsContact O-CG 3.3Å; H1471-R1475 WeakPolarHBondContact O-CG 3.4Å; H1471-R1475 PolarHBondContact O-NH1 3.21Å; A1473-R1475 VanDerWaalsContact C-N 3.28Å; A1473-R1475 PolarHBondContact O-N 3.18Å; R1475-D1477 VanDerWaalsContact C-N 3.34Å; R1475-S1479 VanDerWaalsContact O-CB 3.26Å; R1475-S1479 WeakPolarHBondContact O-CB 3.45Å; R1475-S1479 PolarHBondContact O-N 3.2Å |
| 1476 | R | 91.9 | Very high | 89.6 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 172.7 | -179 | -157.7 | 63.1 | 175.9 | -10.7 | 109.8 | K1472 A1473 S1479 L1480 E1574 T1575 S1576 | K1472-R1476 PolarHBondContact O-N 2.95Å; A1473-R1476 WeakPolarHBondContact O-CA 3.24Å; A1473-R1476 WeakPolarHBondContact O-CB 3.39Å; A1473-R1476 PolarHBondContact O-N 2.97Å; R1476-S1479 CarbonylContact O-C 3.6Å; R1476-S1479 WeakPolarHBondContact O-CA 3.42Å; R1476-S1479 WeakPolarHBondContact O-CB 3.35Å; R1476-S1479 PolarHBondContact O-N 3.19Å; R1476-S1479 VanDerWaalsContact O-N 3.15Å; R1476-L1480 HydrophobicContact CG-CD1 4.06Å; R1476-L1480 WeakPolarHBondContact O-CG 3.38Å; R1476-L1480 PolarHBondContact O-N 2.94Å; R1476-E1574 PolarHBondContact NH1-O 3.46Å; R1476-T1575 PolarHBondContact NH1-O 3.42Å; R1476-S1576 PolarHBondContact NH1-O 3.46Å; R1476-S1576 PolarHBondContact NH2-O 2.82Å |
| 1477 | D | 93.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.6 | -43.4 | -173.6 | -57.7 | -23.5 | 0 | 0 | 0 | 111.5 | A1473 L1474 R1475 S1479 L1480 L1481 Y1528 N1577 L1578 | A1473-D1477 PolarHBondContact O-N 3.12Å; L1474-D1477 PolarHBondContact O-N 3.26Å; R1475-D1477 VanDerWaalsContact C-N 3.34Å; D1477-S1479 VanDerWaalsContact C-N 3.27Å; D1477-S1479 PolarHBondContact O-N 3.4Å; D1477-L1480 PolarHBondContact O-N 2.83Å; D1477-L1480 VanDerWaalsContact O-N 3.12Å; D1477-L1481 WeakPolarHBondContact O-CB 3.29Å; D1477-L1481 VanDerWaalsContact O-CG 3.25Å; D1477-L1481 WeakPolarHBondContact O-CG 3.42Å; D1477-L1481 PolarHBondContact O-N 3.37Å; D1477-Y1528 VanDerWaalsContact OD2-CE1 3.22Å; D1477-Y1528 WeakPolarHBondContact OD2-CE1 3.28Å; D1477-Y1528 VanDerWaalsContact OD2-CZ 3.3Å; D1477-Y1528 PolarHBondContact OD2-OH 3.14Å; D1477-N1577 WeakPolarHBondContact OD1-CB 3.44Å; D1477-L1578 HydrophobicContact CB-CB 4.5Å; D1477-L1578 HydrophobicContact CB-CD1 4.31Å; D1477-L1578 HydrophobicContact CB-CG 4.25Å |
| 1478 | I | 92 | Very high | 89.8 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 26% | 0.256 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | 168.7 | -70.6 | 168.5 | 0 | 0 | 0 | 110.8 | F1446 L1474 L1480 S1482 | F1446-I1478 HydrophobicContact CE1-CG1 4.35Å; F1446-I1478 HydrophobicContact CE1-CG2 3.82Å; F1446-I1478 HydrophobicContact CZ-CG1 3.96Å; F1446-I1478 HydrophobicContact CZ-CG2 4.29Å; L1474-I1478 HydrophobicContact CD2-CD1 4.2Å; L1474-I1478 HydrophobicContact CG-CD1 3.99Å; L1474-I1478 WeakPolarHBondContact O-CB 3.44Å; L1474-I1478 VanDerWaalsContact O-CG1 3.25Å; L1474-I1478 WeakPolarHBondContact O-CG1 3.25Å; L1474-I1478 PolarHBondContact O-N 3.46Å; I1478-L1480 VanDerWaalsContact C-N 3.33Å; I1478-L1480 PolarHBondContact O-N 3.21Å; I1478-S1482 VanDerWaalsContact O-CB 3.29Å; I1478-S1482 WeakPolarHBondContact O-CB 3.47Å; I1478-S1482 PolarHBondContact O-N 2.85Å; I1478-S1482 PolarHBondContact O-OG 2.67Å |
| 1479 | S | 91.9 | Very high | 90.2 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 176.4 | -168.5 | 0 | 0 | 0 | 0 | 113 | R1475 R1476 D1477 S1482 T1483 | R1475-S1479 VanDerWaalsContact O-CB 3.26Å; R1475-S1479 WeakPolarHBondContact O-CB 3.45Å; R1475-S1479 PolarHBondContact O-N 3.2Å; R1476-S1479 CarbonylContact O-C 3.6Å; R1476-S1479 WeakPolarHBondContact O-CA 3.42Å; R1476-S1479 WeakPolarHBondContact O-CB 3.35Å; R1476-S1479 PolarHBondContact O-N 3.19Å; R1476-S1479 VanDerWaalsContact O-N 3.15Å; D1477-S1479 VanDerWaalsContact C-N 3.27Å; D1477-S1479 PolarHBondContact O-N 3.4Å; S1479-S1482 PolarHBondContact O-OG 3.12Å; S1479-T1483 WeakPolarHBondContact O-CB 3.49Å; S1479-T1483 VanDerWaalsContact O-CG2 3.29Å; S1479-T1483 WeakPolarHBondContact O-CG2 3.41Å; S1479-T1483 PolarHBondContact O-OG1 3.03Å |
| 1480 | L | 92.3 | Very high | 90.5 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.2 | -47.5 | 176.4 | -71.3 | 169.1 | 0 | 0 | 0 | 111.3 | R1476 D1477 I1478 S1482 T1483 I1484 N1577 L1579 | R1476-L1480 HydrophobicContact CG-CD1 4.06Å; R1476-L1480 WeakPolarHBondContact O-CG 3.38Å; R1476-L1480 PolarHBondContact O-N 2.94Å; D1477-L1480 PolarHBondContact O-N 2.83Å; D1477-L1480 VanDerWaalsContact O-N 3.12Å; I1478-L1480 VanDerWaalsContact C-N 3.33Å; I1478-L1480 PolarHBondContact O-N 3.21Å; L1480-S1482 VanDerWaalsContact C-N 3.28Å; L1480-S1482 PolarHBondContact O-N 3.5Å; L1480-T1483 PolarHBondContact O-N 3.01Å; L1480-T1483 VanDerWaalsContact O-N 3.12Å; L1480-T1483 PolarHBondContact O-OG1 2.85Å; L1480-I1484 HydrophobicContact CD2-CD1 3.89Å; L1480-I1484 PolarHBondContact O-N 2.85Å; L1480-N1577 HydrophobicContact CD1-CB 4.07Å; L1480-L1579 HydrophobicContact CB-CB 4.21Å; L1480-L1579 HydrophobicContact CB-CD2 4.02Å |
| 1481 | L | 92.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -33.5 | 178 | -68.1 | 171.7 | 0 | 0 | 0 | 112.5 | F1446 D1477 L1485 V1491 L1578 L1579 | F1446-L1481 HydrophobicContact CB-CB 4.32Å; F1446-L1481 HydrophobicContact CD2-CB 3.78Å; F1446-L1481 HydrophobicContact CD2-CD1 4.08Å; F1446-L1481 HydrophobicContact CE2-CB 4.36Å; F1446-L1481 HydrophobicContact CE2-CD1 3.98Å; F1446-L1481 HydrophobicContact CG-CB 4.07Å; D1477-L1481 WeakPolarHBondContact O-CB 3.29Å; D1477-L1481 VanDerWaalsContact O-CG 3.25Å; D1477-L1481 WeakPolarHBondContact O-CG 3.42Å; D1477-L1481 PolarHBondContact O-N 3.37Å; L1481-L1485 HydrophobicContact CD2-CD1 3.99Å; L1481-L1485 VanDerWaalsContact O-CB 3.3Å; L1481-L1485 WeakPolarHBondContact O-CB 3.41Å; L1481-V1491 HydrophobicContact CD1-CG1 4.21Å; L1481-V1491 HydrophobicContact CD2-CG2 4.2Å; L1481-L1578 HydrophobicContact CD1-CB 4.14Å; L1481-L1578 HydrophobicContact CD1-CD1 4.33Å; L1481-L1579 HydrophobicContact CD2-CB 4.14Å; L1481-L1579 HydrophobicContact CD2-CD1 4.47Å |
| 1482 | S | 87.5 | Confident | 90.9 | Very high | 70 Ų | 70 | 47 Ų | 47 | 49% | 0.49 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.8 | 176.3 | 57.1 | 0 | 0 | 0 | 0 | 114.8 | I1478 S1479 L1480 | I1478-S1482 VanDerWaalsContact O-CB 3.29Å; I1478-S1482 WeakPolarHBondContact O-CB 3.47Å; I1478-S1482 PolarHBondContact O-N 2.85Å; I1478-S1482 PolarHBondContact O-OG 2.67Å; S1479-S1482 PolarHBondContact O-OG 3.12Å; L1480-S1482 VanDerWaalsContact C-N 3.28Å; L1480-S1482 PolarHBondContact O-N 3.5Å |
| 1483 | T | 83.5 | Confident | 91 | Very high | 58 Ų | 58 | 39.2 Ų | 39.2 | 36% | 0.356 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -35 | -176 | 56.1 | 0 | 0 | 0 | 0 | 115.2 | R1443 S1479 L1480 | R1443-T1483 PolarHBondContact NH1-O 3.13Å; S1479-T1483 WeakPolarHBondContact O-CB 3.49Å; S1479-T1483 VanDerWaalsContact O-CG2 3.29Å; S1479-T1483 WeakPolarHBondContact O-CG2 3.41Å; S1479-T1483 PolarHBondContact O-OG1 3.03Å; L1480-T1483 PolarHBondContact O-N 3.01Å; L1480-T1483 VanDerWaalsContact O-N 3.12Å; L1480-T1483 PolarHBondContact O-OG1 2.85Å |
| 1484 | I | 85.8 | Confident | 91.1 | Very high | 63 Ų | 63 | 38.8 Ų | 38.8 | 32% | 0.323 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -129.3 | 16.8 | -169.5 | -19.2 | 179.9 | 0 | 0 | 0 | 113.6 | L1435 L1480 L1579 | L1435-I1484 HydrophobicContact CD2-CG2 4.37Å; L1480-I1484 HydrophobicContact CD2-CD1 3.89Å; L1480-I1484 PolarHBondContact O-N 2.85Å; I1484-L1579 HydrophobicContact CB-CD2 3.88Å; I1484-L1579 HydrophobicContact CG1-CD2 4.4Å |
| 1485 | L | 88 | Confident | 91.1 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -68.1 | 133.2 | 176.7 | -168.4 | 66.3 | 0 | 0 | 0 | 111 | G1444 L1481 I1489 V1491 L1579 | G1444-L1485 PolarHBondContact N-O 2.76Å; L1481-L1485 HydrophobicContact CD2-CD1 3.99Å; L1481-L1485 VanDerWaalsContact O-CB 3.3Å; L1481-L1485 WeakPolarHBondContact O-CB 3.41Å; L1485-I1489 HydrophobicContact CD1-CB 4.02Å; L1485-I1489 HydrophobicContact CD1-CG2 3.82Å; L1485-I1489 HydrophobicContact CD2-CG2 4.4Å; L1485-I1489 WeakPolarHBondContact CD2-O 3.35Å; L1485-I1489 HydrophobicContact CG-CB 4.13Å; L1485-I1489 HydrophobicContact CG-CG2 4.29Å; L1485-V1491 HydrophobicContact CD1-CG2 4.16Å; L1485-V1491 HydrophobicContact CD2-CB 4.38Å; L1485-V1491 HydrophobicContact CD2-CG2 4Å; L1485-L1579 HydrophobicContact CB-CD1 4.43Å; L1485-L1579 HydrophobicContact CD1-CD1 3.81Å | ||
| 1486 | P | 88.2 | Confident | 91.1 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 25% | 0.253 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -63.9 | 147.4 | 176 | -23.1 | 34.1 | 0 | 0 | 0 | 113.2 | G1444 D1488 I1489 I1583 | G1444-P1486 WeakPolarHBondContact CA-O 3.43Å; G1444-P1486 PolarHBondContact N-O 3Å; P1486-D1488 PolarHBondContact O-N 3.15Å; P1486-I1489 HydrophobicContact CB-CD1 4.48Å; P1486-I1489 HydrophobicContact CB-CG1 4.44Å; P1486-I1489 HydrophobicContact CG-CD1 4.19Å; P1486-I1489 PolarHBondContact O-N 3.25Å; P1486-I1583 HydrophobicContact CG-CD1 4.39Å; P1486-I1583 HydrophobicContact CG-CG1 4.02Å |
| 1487 | N | 85.3 | Confident | 91.1 | Very high | 78 Ų | 78 | 36.3 Ų | 36.3 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -31.7 | -175.5 | -137.8 | 23.4 | 0 | 0 | 0 | 114.7 | E1441 Q1442 R1443 I1489 | E1441-N1487 PolarHBondContact O-ND2 3.47Å; E1441-N1487 VanDerWaalsContact O-ND2 3.08Å; E1441-N1487 PolarHBondContact O-OD1 2.84Å; Q1442-N1487 VanDerWaalsContact C-CG 3.43Å; Q1442-N1487 WeakPolarHBondContact CA-OD1 3.48Å; R1443-N1487 PolarHBondContact N-OD1 3.33Å; R1443-N1487 VanDerWaalsContact N-OD1 3.13Å; R1443-N1487 PolarHBondContact O-OD1 2.85Å; N1487-I1489 VanDerWaalsContact C-N 3.32Å |
| 1488 | D | 89.9 | Confident | 91 | Very high | 58 Ų | 58 | 38.5 Ų | 38.5 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 10.2 | -177 | -69.1 | -60.3 | 0 | 0 | 0 | 113.5 | P1486 I1506 | P1486-D1488 PolarHBondContact O-N 3.15Å; D1488-I1506 HydrophobicContact CB-CB 4.03Å; D1488-I1506 PolarHBondContact O-N 3.01Å |
| 1489 | I | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.7 | 176.2 | -52.7 | -175.5 | 0 | 0 | 0 | 110.6 | G1444 Q1445 L1485 P1486 N1487 V1491 I1503 I1505 A1582 Q1586 | G1444-I1489 VanDerWaalsContact CA-O 3.28Å; G1444-I1489 WeakPolarHBondContact CA-O 3.44Å; Q1445-I1489 PolarHBondContact N-O 2.82Å; L1485-I1489 HydrophobicContact CD1-CB 4.02Å; L1485-I1489 HydrophobicContact CD1-CG2 3.82Å; L1485-I1489 HydrophobicContact CD2-CG2 4.4Å; L1485-I1489 WeakPolarHBondContact CD2-O 3.35Å; L1485-I1489 HydrophobicContact CG-CB 4.13Å; L1485-I1489 HydrophobicContact CG-CG2 4.29Å; P1486-I1489 HydrophobicContact CB-CD1 4.48Å; P1486-I1489 HydrophobicContact CB-CG1 4.44Å; P1486-I1489 HydrophobicContact CG-CD1 4.19Å; P1486-I1489 PolarHBondContact O-N 3.25Å; N1487-I1489 VanDerWaalsContact C-N 3.32Å; I1489-V1491 HydrophobicContact CG2-CG2 4.06Å; I1489-I1503 HydrophobicContact CG2-CG2 3.83Å; I1489-I1505 HydrophobicContact CD1-CG1 4.5Å; I1489-I1505 HydrophobicContact CG1-CG1 4.31Å; I1489-I1505 HydrophobicContact CG1-CG2 4.34Å; I1489-I1505 HydrophobicContact CG2-CG1 4.26Å; I1489-A1582 HydrophobicContact CD1-CB 4.16Å; I1489-A1582 HydrophobicContact CG2-CB 4.45Å; I1489-Q1586 HydrophobicContact CD1-CB 4.34Å |
| 1490 | I | 94.6 | Very high | 91.2 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 9% | 0.092 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.7 | 168.7 | -55.2 | -172.3 | 0 | 0 | 0 | 108.6 | Q1445 I1447 I1503 M1504 F1640 E1643 | Q1445-I1490 HydrophobicContact CB-CG1 4.2Å; Q1445-I1490 HydrophobicContact CB-CG2 4.1Å; Q1445-I1490 CarbonylContact O-C 3.56Å; Q1445-I1490 WeakPolarHBondContact O-CA 3.32Å; Q1445-I1490 WeakPolarHBondContact O-CG2 3.39Å; I1447-I1490 HydrophobicContact CD1-CG2 4.25Å; I1490-I1503 WeakPolarHBondContact O-CA 3.35Å; I1490-M1504 HydrophobicContact CB-CB 4.49Å; I1490-M1504 HydrophobicContact CD1-CE 3.74Å; I1490-M1504 HydrophobicContact CG1-CE 4.12Å; I1490-M1504 PolarHBondContact N-O 3.04Å; I1490-M1504 PolarHBondContact O-N 2.84Å; I1490-F1640 HydrophobicContact CB-CE1 4.29Å; I1490-F1640 HydrophobicContact CG2-CE1 3.86Å; I1490-E1643 HydrophobicContact CD1-CB 4.39Å; I1490-E1643 HydrophobicContact CD1-CG 4.13Å |
| 1491 | V | 95.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 124.4 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | Q1445 F1446 I1447 L1481 L1485 I1489 Y1501 I1503 | Q1445-V1491 PolarHBondContact O-N 2.73Å; F1446-V1491 WeakPolarHBondContact CA-O 3.17Å; F1446-V1491 HydrophobicContact CD2-CB 4.08Å; F1446-V1491 HydrophobicContact CD2-CG1 4.01Å; F1446-V1491 HydrophobicContact CE2-CG1 4.14Å; I1447-V1491 PolarHBondContact N-O 3.18Å; L1481-V1491 HydrophobicContact CD1-CG1 4.21Å; L1481-V1491 HydrophobicContact CD2-CG2 4.2Å; L1485-V1491 HydrophobicContact CD1-CG2 4.16Å; L1485-V1491 HydrophobicContact CD2-CB 4.38Å; L1485-V1491 HydrophobicContact CD2-CG2 4Å; I1489-V1491 HydrophobicContact CG2-CG2 4.06Å; V1491-Y1501 HydrophobicContact CG1-CD1 4.07Å; V1491-I1503 HydrophobicContact CG1-CG1 4.38Å; V1491-I1503 HydrophobicContact CG2-CD1 4.48Å; V1491-I1503 HydrophobicContact CG2-CG1 4.1Å; V1491-I1503 HydrophobicContact CG2-CG2 4.12Å |
| 1492 | K | 95.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.013 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.3 | 172 | -63.4 | -166.4 | 170.6 | -163.3 | 0 | 109.7 | I1447 E1449 F1494 Y1501 S1502 H1639 F1640 E1643 | I1447-K1492 HydrophobicContact CB-CG 4.32Å; I1447-K1492 CarbonylContact O-C 3.6Å; I1447-K1492 VanDerWaalsContact O-CA 3.3Å; I1447-K1492 WeakPolarHBondContact O-CA 3.06Å; E1449-K1492 HydrophobicContact CG-CD 4.4Å; E1449-K1492 WeakPolarHBondContact OE1-CE 3.41Å; E1449-K1492 IonicContact OE1-NZ 2.73Å; E1449-K1492 PolarHBondContact OE1-NZ 3.42Å; K1492-F1494 HydrophobicContact CB-CE1 4.46Å; K1492-F1494 HydrophobicContact CB-CZ 4.31Å; K1492-Y1501 CarbonylContact O-C 3.4Å; K1492-Y1501 WeakPolarHBondContact O-CA 3.2Å; K1492-Y1501 WeakPolarHBondContact O-CB 3.39Å; K1492-S1502 PolarHBondContact N-O 2.87Å; K1492-S1502 PolarHBondContact O-N 3.11Å; K1492-H1639 PolarHBondContact NZ-O 2.86Å; K1492-F1640 HydrophobicContact CB-CZ 4.4Å; K1492-F1640 HydrophobicContact CD-CD1 4.12Å; K1492-F1640 HydrophobicContact CD-CE1 3.71Å; K1492-F1640 HydrophobicContact CD-CZ 4.08Å; K1492-F1640 HydrophobicContact CG-CE1 3.71Å; K1492-F1640 HydrophobicContact CG-CZ 3.88Å; K1492-E1643 VanDerWaalsContact CE-OE1 3.29Å; K1492-E1643 WeakPolarHBondContact CE-OE1 3.36Å; K1492-E1643 IonicContact NZ-OE1 2.68Å; K1492-E1643 PolarHBondContact NZ-OE1 3.16Å; K1492-E1643 IonicContact NZ-OE2 3.78Å |
| 1493 | G | 94.4 | Very high | 92 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 160.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I1447 M1448 E1449 Y1501 | I1447-G1493 PolarHBondContact O-N 3.11Å; M1448-G1493 CarbonylContact C-O 3.55Å; M1448-G1493 WeakPolarHBondContact CA-O 3.41Å; E1449-G1493 PolarHBondContact N-O 3.35Å; G1493-Y1501 VanDerWaalsContact CA-CD1 3.44Å |
| 1494 | F | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135.8 | -172.7 | -53.3 | -69.5 | 0 | 0 | 0 | 112 | M1448 E1449 A1452 P1453 H1456 K1492 R1497 I1498 L1500 | M1448-F1494 VanDerWaalsContact CE-C 3.49Å; E1449-F1494 HydrophobicContact CB-CD1 4.04Å; E1449-F1494 HydrophobicContact CB-CE1 4.25Å; E1449-F1494 CarbonylContact O-C 3.59Å; E1449-F1494 WeakPolarHBondContact O-CA 3.22Å; A1452-F1494 HydrophobicContact CB-CB 3.82Å; A1452-F1494 HydrophobicContact CB-CD1 4.34Å; A1452-F1494 HydrophobicContact CB-CD2 3.93Å; A1452-F1494 HydrophobicContact CB-CG 3.75Å; P1453-F1494 VanDerWaalsContact CD-CZ 3.48Å; P1453-F1494 HydrophobicContact CG-CE1 4.39Å; P1453-F1494 HydrophobicContact CG-CZ 4.11Å; H1456-F1494 AromaticContact CD2-CE2 3.96Å; K1492-F1494 HydrophobicContact CB-CE1 4.46Å; K1492-F1494 HydrophobicContact CB-CZ 4.31Å; F1494-R1497 HydrophobicContact CB-CB 4.24Å; F1494-R1497 CarbonylContact O-C 3.54Å; F1494-R1497 PolarHBondContact O-N 3.38Å; F1494-I1498 VanDerWaalsContact O-CA 3.32Å; F1494-I1498 WeakPolarHBondContact O-CA 3.42Å; F1494-I1498 PolarHBondContact O-N 3.34Å; F1494-L1500 HydrophobicContact CD2-CB 4.02Å; F1494-L1500 WeakPolarHBondContact CD2-O 3.28Å |
| 1495 | E | 91.6 | Very high | 93.1 | Very high | 120 Ų | 120 | 22.9 Ų | 22.9 | 56% | 0.561 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -75.6 | -35.1 | -173.1 | -63.9 | -170.9 | 146.6 | 0 | 0 | 113.4 | M1448 E1449 | M1448-E1495 HydrophobicContact CB-CG 4.26Å; M1448-E1495 HydrophobicContact CE-CG 3.92Å; E1449-E1495 PolarHBondContact O-N 3.17Å |
| 1496 | D | 90.6 | Very high | 93.5 | Very high | 65 Ų | 65 | 23.5 Ų | 23.5 | 35% | 0.348 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -70.3 | -34.2 | 169.8 | 63.4 | -21.1 | 0 | 0 | 0 | 112.2 | T1451 A1452 Q1463 | T1451-D1496 WeakPolarHBondContact CA-OD1 3.39Å; A1452-D1496 VanDerWaalsContact N-CG 3.33Å; A1452-D1496 PolarHBondContact N-OD1 3.02Å; A1452-D1496 PolarHBondContact N-OD2 3.49Å; A1452-D1496 VanDerWaalsContact N-OD2 3.1Å; Q1463-D1496 PolarHBondContact NE2-O 2.96Å; Q1463-D1496 VanDerWaalsContact NE2-O 3.13Å |
| 1497 | R | 91 | Very high | 93.8 | Very high | 25 Ų | 25 | 21.7 Ų | 21.7 | 9% | 0.094 | 11% | 0.11 | C | C | . | . | trans | -125.4 | 67.8 | -175.6 | -64.5 | -58.5 | -56.4 | -96.6 | 2.2 | 111.4 | A1452 Y1459 S1461 F1494 D1499 L1500 | A1452-R1497 HydrophobicContact CB-CB 3.82Å; A1452-R1497 HydrophobicContact CB-CG 3.77Å; Y1459-R1497 PolarHBondContact O-NH1 3.37Å; S1461-R1497 PolarHBondContact O-NH1 3.17Å; S1461-R1497 PolarHBondContact O-NH2 2.84Å; S1461-R1497 PolarHBondContact OG-NH2 2.87Å; F1494-R1497 HydrophobicContact CB-CB 4.24Å; F1494-R1497 CarbonylContact O-C 3.54Å; F1494-R1497 PolarHBondContact O-N 3.38Å; R1497-D1499 WeakPolarHBondContact CA-OD1 3.36Å; R1497-D1499 IonicContact CZ-OD1 2.86Å; R1497-D1499 IonicContact CZ-OD2 2.82Å; R1497-D1499 IonicContact NE-OD1 2.58Å; R1497-D1499 PolarHBondContact NE-OD1 3.03Å; R1497-D1499 IonicContact NE-OD2 2.81Å; R1497-D1499 IonicContact NH2-OD1 3.39Å; R1497-D1499 IonicContact NH2-OD2 3.22Å; R1497-D1499 PolarHBondContact NH2-OD2 3.31Å; R1497-D1499 PolarHBondContact O-N 2.83Å; R1497-L1500 HydrophobicContact CB-CB 4.06Å; R1497-L1500 HydrophobicContact CB-CD1 3.78Å; R1497-L1500 HydrophobicContact CB-CG 3.86Å; R1497-L1500 HydrophobicContact CG-CD1 4.02Å; R1497-L1500 PolarHBondContact O-N 2.84Å | ||
| 1498 | I | 92.4 | Very high | 94.1 | Very high | 47 Ų | 47 | 19.5 Ų | 19.5 | 24% | 0.241 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -8.1 | 178.5 | 67.3 | 170.6 | 0 | 0 | 0 | 114.5 | L1466 L1474 F1494 Y1501 | L1466-I1498 HydrophobicContact CD1-CD1 3.82Å; L1466-I1498 HydrophobicContact CD1-CG1 3.88Å; L1474-I1498 HydrophobicContact CD2-CB 4.13Å; L1474-I1498 HydrophobicContact CD2-CD1 4.1Å; L1474-I1498 HydrophobicContact CD2-CG1 4.33Å; F1494-I1498 VanDerWaalsContact O-CA 3.32Å; F1494-I1498 WeakPolarHBondContact O-CA 3.42Å; F1494-I1498 PolarHBondContact O-N 3.34Å; I1498-Y1501 WeakPolarHBondContact O-CE2 3.44Å; I1498-Y1501 PolarHBondContact O-OH 3.23Å |
| 1499 | D | 92.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 20.3 Ų | 20.3 | 4% | 0.037 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -5.8 | 173.3 | 61.4 | -60.7 | 0 | 0 | 0 | 114 | Q1463 F1470 R1497 L1524 | Q1463-D1499 PolarHBondContact NE2-OD1 3.5Å; F1470-D1499 HydrophobicContact CZ-CB 4Å; R1497-D1499 WeakPolarHBondContact CA-OD1 3.36Å; R1497-D1499 IonicContact CZ-OD1 2.86Å; R1497-D1499 IonicContact CZ-OD2 2.82Å; R1497-D1499 IonicContact NE-OD1 2.58Å; R1497-D1499 PolarHBondContact NE-OD1 3.03Å; R1497-D1499 IonicContact NE-OD2 2.81Å; R1497-D1499 IonicContact NH2-OD1 3.39Å; R1497-D1499 IonicContact NH2-OD2 3.22Å; R1497-D1499 PolarHBondContact NH2-OD2 3.31Å; R1497-D1499 PolarHBondContact O-N 2.83Å; D1499-L1524 WeakPolarHBondContact O-CB 3.47Å; D1499-L1524 WeakPolarHBondContact O-CG 3.34Å; D1499-L1524 PolarHBondContact O-N 3.31Å |
| 1500 | L | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.9 | -178.1 | -57.7 | -173.3 | 0 | 0 | 0 | 111.2 | A1452 F1458 F1494 R1497 | A1452-L1500 HydrophobicContact CB-CD1 4.32Å; F1458-L1500 HydrophobicContact CB-CD2 3.66Å; F1494-L1500 HydrophobicContact CD2-CB 4.02Å; F1494-L1500 WeakPolarHBondContact CD2-O 3.28Å; R1497-L1500 HydrophobicContact CB-CB 4.06Å; R1497-L1500 HydrophobicContact CB-CD1 3.78Å; R1497-L1500 HydrophobicContact CB-CG 3.86Å; R1497-L1500 HydrophobicContact CG-CD1 4.02Å; R1497-L1500 PolarHBondContact O-N 2.84Å |
| 1501 | Y | 96.4 | Very high | 94 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 153 | 175.2 | -64.1 | -99.6 | 0 | 0 | 0 | 110.3 | F1446 H1456 L1474 V1491 K1492 G1493 I1498 V1522 L1524 L1578 | F1446-Y1501 HydrophobicContact CE2-CD1 4.16Å; F1446-Y1501 AromaticContact CE2-CE1 3.83Å; F1446-Y1501 HydrophobicContact CE2-CE1 3.83Å; F1446-Y1501 HydrophobicContact CZ-CE1 4.04Å; H1456-Y1501 PolarHBondContact NE2-O 2.76Å; L1474-Y1501 HydrophobicContact CD1-CE2 4.09Å; L1474-Y1501 WeakPolarHBondContact CD1-OH 3.36Å; V1491-Y1501 HydrophobicContact CG1-CD1 4.07Å; K1492-Y1501 CarbonylContact O-C 3.4Å; K1492-Y1501 WeakPolarHBondContact O-CA 3.2Å; K1492-Y1501 WeakPolarHBondContact O-CB 3.39Å; G1493-Y1501 VanDerWaalsContact CA-CD1 3.44Å; I1498-Y1501 WeakPolarHBondContact O-CE2 3.44Å; I1498-Y1501 PolarHBondContact O-OH 3.23Å; Y1501-V1522 PolarHBondContact N-O 2.86Å; Y1501-V1522 PolarHBondContact O-N 2.91Å; Y1501-L1524 HydrophobicContact CD2-CD1 4.1Å; Y1501-L1524 HydrophobicContact CD2-CG 4.34Å; Y1501-L1524 HydrophobicContact CE2-CD1 3.67Å; Y1501-L1524 HydrophobicContact CE2-CG 4.36Å; Y1501-L1578 HydrophobicContact CD2-CD1 4.42Å; Y1501-L1578 HydrophobicContact CE2-CD1 4.48Å |
| 1502 | S | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 136.9 | 169.4 | -58 | 0 | 0 | 0 | 0 | 109.5 | H1456 K1492 F1520 D1521 H1639 | H1456-S1502 PolarHBondContact CD2-OG 3.35Å; K1492-S1502 PolarHBondContact N-O 2.87Å; K1492-S1502 PolarHBondContact O-N 3.11Å; S1502-F1520 CarbonylContact C-O 3.57Å; S1502-F1520 WeakPolarHBondContact CA-O 3.47Å; S1502-D1521 WeakPolarHBondContact CB-OD1 3.43Å; S1502-D1521 PolarHBondContact OG-OD1 2.87Å; S1502-H1639 WeakPolarHBondContact CB-NE2 3.39Å; S1502-H1639 PolarHBondContact OG-NE2 2.83Å |
| 1503 | I | 96.5 | Very high | 94 | Very high | 8 Ų | 8 | 20.5 Ų | 20.5 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 132.3 | -176.2 | -50.5 | -175.9 | 0 | 0 | 0 | 108.7 | I1489 I1490 V1491 I1505 F1519 F1520 V1522 A1582 | I1489-I1503 HydrophobicContact CG2-CG2 3.83Å; I1490-I1503 WeakPolarHBondContact O-CA 3.35Å; V1491-I1503 HydrophobicContact CG1-CG1 4.38Å; V1491-I1503 HydrophobicContact CG2-CD1 4.48Å; V1491-I1503 HydrophobicContact CG2-CG1 4.1Å; V1491-I1503 HydrophobicContact CG2-CG2 4.12Å; I1503-I1505 HydrophobicContact CG2-CD1 4.29Å; I1503-I1505 HydrophobicContact CG2-CG1 3.75Å; I1503-F1519 WeakPolarHBondContact O-CA 3.41Å; I1503-F1520 HydrophobicContact CB-CB 4.33Å; I1503-F1520 PolarHBondContact N-O 3.15Å; I1503-F1520 PolarHBondContact O-N 3.39Å; I1503-V1522 HydrophobicContact CD1-CG2 3.84Å; I1503-V1522 HydrophobicContact CG1-CG2 4.12Å; I1503-A1582 HydrophobicContact CD1-CB 4.37Å |
| 1504 | M | 96.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.2 | 164.8 | -175 | -173.4 | 85.1 | 0 | 0 | 108.6 | I1490 I1506 L1517 F1518 F1519 F1640 E1643 I1644 | I1490-M1504 HydrophobicContact CB-CB 4.49Å; I1490-M1504 HydrophobicContact CD1-CE 3.74Å; I1490-M1504 HydrophobicContact CG1-CE 4.12Å; I1490-M1504 PolarHBondContact N-O 3.04Å; I1490-M1504 PolarHBondContact O-N 2.84Å; M1504-I1506 HydrophobicContact CE-CG1 4.44Å; M1504-L1517 HydrophobicContact CE-CD2 4.15Å; M1504-L1517 HydrophobicContact CG-CD2 4.31Å; M1504-L1517 HydrophobicContact SD-CD2 4.06Å; M1504-F1518 CarbonylContact C-O 3.6Å; M1504-F1518 WeakPolarHBondContact CA-O 3.44Å; M1504-F1519 HydrophobicContact CB-CD1 4.13Å; M1504-F1519 HydrophobicContact CB-CE1 4.1Å; M1504-F1519 HydrophobicContact CG-CD1 3.95Å; M1504-F1519 HydrophobicContact CG-CE1 3.51Å; M1504-F1519 HydrophobicContact CG-CZ 4.13Å; M1504-F1519 HydrophobicContact SD-CE1 3.73Å; M1504-F1519 HydrophobicContact SD-CZ 4.21Å; M1504-F1640 HydrophobicContact CB-CD1 3.99Å; M1504-F1640 HydrophobicContact CB-CD2 4.25Å; M1504-F1640 HydrophobicContact CB-CE1 3.74Å; M1504-F1640 HydrophobicContact CB-CE2 4.02Å; M1504-F1640 HydrophobicContact CB-CG 4.25Å; M1504-F1640 HydrophobicContact CB-CZ 3.76Å; M1504-F1640 HydrophobicContact SD-CB 4.46Å; M1504-F1640 HydrophobicContact SD-CD1 4.23Å; M1504-F1640 HydrophobicContact SD-CG 4.4Å; M1504-E1643 HydrophobicContact CE-CB 4.28Å; M1504-E1643 HydrophobicContact SD-CB 4.35Å; M1504-I1644 HydrophobicContact SD-CG1 4.43Å |
| 1505 | I | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.2 | 175.1 | -56.6 | -176.1 | 0 | 0 | 0 | 108.6 | I1489 I1503 F1518 F1520 I1585 Q1586 L1590 | I1489-I1505 HydrophobicContact CD1-CG1 4.5Å; I1489-I1505 HydrophobicContact CG1-CG1 4.31Å; I1489-I1505 HydrophobicContact CG1-CG2 4.34Å; I1489-I1505 HydrophobicContact CG2-CG1 4.26Å; I1503-I1505 HydrophobicContact CG2-CD1 4.29Å; I1503-I1505 HydrophobicContact CG2-CG1 3.75Å; I1505-F1518 PolarHBondContact N-O 2.87Å; I1505-F1518 PolarHBondContact O-N 2.82Å; I1505-F1520 HydrophobicContact CB-CE2 4.31Å; I1505-F1520 HydrophobicContact CD1-CD2 4.18Å; I1505-F1520 HydrophobicContact CD1-CE2 3.77Å; I1505-F1520 HydrophobicContact CG1-CD2 4.28Å; I1505-F1520 HydrophobicContact CG1-CE2 4Å; I1505-I1585 HydrophobicContact CD1-CB 4Å; I1505-I1585 HydrophobicContact CD1-CG2 3.7Å; I1505-Q1586 HydrophobicContact CG2-CB 4.19Å; I1505-Q1586 HydrophobicContact CG2-CG 3.99Å; I1505-L1590 HydrophobicContact CG2-CD1 3.88Å |
| 1506 | I | 95.4 | Very high | 94.2 | Very high | 16 Ų | 16 | 17.2 Ų | 17.2 | 8% | 0.082 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.1 | 165.3 | -59.9 | 157.7 | 0 | 0 | 0 | 107.7 | D1488 M1504 A1508 C1516 L1517 Q1586 | D1488-I1506 HydrophobicContact CB-CB 4.03Å; D1488-I1506 PolarHBondContact O-N 3.01Å; M1504-I1506 HydrophobicContact CE-CG1 4.44Å; I1506-A1508 PolarHBondContact O-N 3.26Å; I1506-C1516 WeakPolarHBondContact CA-O 3.3Å; I1506-L1517 HydrophobicContact CG1-CD2 3.63Å; I1506-Q1586 PolarHBondContact O-NE2 2.98Å |
| 1507 | G | 94.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 132.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1513 E1514 H1515 C1516 | G1507-Y1513 VanDerWaalsContact CA-O 3.32Å; G1507-Y1513 WeakPolarHBondContact CA-O 3.49Å; G1507-E1514 WeakPolarHBondContact O-CA 3.13Å; G1507-H1515 PolarHBondContact O-N 3.31Å; G1507-H1515 VanDerWaalsContact O-N 3.07Å; G1507-C1516 PolarHBondContact N-O 3.35Å |
| 1508 | A | 92.2 | Very high | 94.7 | Very high | 31 Ų | 31 | 13.5 Ų | 13.5 | 26% | 0.256 | 8% | 0.083 | S | C | . | . | P | Polyproline II helix | trans | -69.9 | 156.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1506 T1511 E1514 | I1506-A1508 PolarHBondContact O-N 3.26Å; A1508-T1511 PolarHBondContact O-OG1 2.85Å; A1508-E1514 WeakPolarHBondContact O-CA 3.23Å |
| 1509 | S | 91.6 | Very high | 94.8 | Very high | 76 Ų | 76 | 11.3 Ų | 11.3 | 53% | 0.531 | 7% | 0.071 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 129.9 | -179 | -73.6 | 0 | 0 | 0 | 0 | 113.9 | E1514 | S1509-E1514 WeakPolarHBondContact CA-OE2 3.35Å; S1509-E1514 WeakPolarHBondContact CB-OE1 3.35Å; S1509-E1514 VanDerWaalsContact OG-CD 3.31Å; S1509-E1514 PolarHBondContact OG-OE1 2.76Å |
| 1510 | G | 90.3 | Very high | 95 | Very high | 9 Ų | 9 | 11 Ų | 11 | 9% | 0.093 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 19.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1514 F1694 | G1510-E1514 PolarHBondContact N-OE2 2.95Å; G1510-F1694 WeakPolarHBondContact O-CD1 3.32Å |
| 1511 | T | 94.9 | Very high | 95.1 | Very high | 15 Ų | 15 | 11 Ų | 11 | 9% | 0.092 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -124.5 | 162.1 | 169.9 | 76 | 0 | 0 | 0 | 0 | 109.7 | A1508 Y1513 E1514 N1591 F1694 | A1508-T1511 PolarHBondContact O-OG1 2.85Å; T1511-Y1513 PolarHBondContact O-N 3.32Å; T1511-Y1513 PolarHBondContact OG1-N 3.07Å; T1511-E1514 WeakPolarHBondContact O-CB 3.36Å; T1511-E1514 PolarHBondContact O-N 3.48Å; T1511-E1514 VanDerWaalsContact O-N 3.11Å; T1511-N1591 WeakPolarHBondContact CB-O 3.27Å; T1511-F1694 WeakPolarHBondContact O-CE1 3.26Å |
| 1512 | P | 95.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.013 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -2.7 | 173.8 | 29.5 | -39.6 | 0 | 0 | 0 | 113.9 | P1594 V1621 V1622 N1625 F1694 | P1512-P1594 HydrophobicContact CG-CG 4.03Å; P1512-V1621 HydrophobicContact CB-CB 4.21Å; P1512-V1621 HydrophobicContact CB-CG1 3.81Å; P1512-V1621 HydrophobicContact CG-CG1 3.98Å; P1512-V1622 HydrophobicContact CB-CG2 3.64Å; P1512-V1622 WeakPolarHBondContact O-CG2 3.33Å; P1512-N1625 PolarHBondContact O-ND2 3.2Å; P1512-F1694 HydrophobicContact CB-CD2 4.27Å; P1512-F1694 HydrophobicContact CB-CE2 3.78Å; P1512-F1694 HydrophobicContact CB-CZ 4.16Å |
| 1513 | Y | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -3.1 | 176.9 | -53.9 | -74.6 | 0 | 0 | 0 | 113.5 | G1507 T1511 H1515 C1516 F1518 V1545 N1546 L1590 N1591 P1594 V1621 N1625 | G1507-Y1513 VanDerWaalsContact CA-O 3.32Å; G1507-Y1513 WeakPolarHBondContact CA-O 3.49Å; T1511-Y1513 PolarHBondContact O-N 3.32Å; T1511-Y1513 PolarHBondContact OG1-N 3.07Å; Y1513-H1515 PolarHBondContact O-N 2.86Å; Y1513-C1516 VanDerWaalsContact O-CB 3.27Å; Y1513-C1516 WeakPolarHBondContact O-CB 3.46Å; Y1513-C1516 PolarHBondContact O-N 3.48Å; Y1513-F1518 HydrophobicContact CD1-CE1 4.12Å; Y1513-F1518 HydrophobicContact CD1-CE2 4.23Å; Y1513-F1518 AromaticContact CD1-CZ 3.57Å; Y1513-F1518 HydrophobicContact CD1-CZ 3.57Å; Y1513-F1518 HydrophobicContact CE1-CZ 4.43Å; Y1513-F1518 HydrophobicContact CG-CZ 4.3Å; Y1513-V1545 WeakPolarHBondContact CE1-O 3.41Å; Y1513-V1545 PolarHBondContact OH-O 2.95Å; Y1513-N1546 WeakPolarHBondContact OH-CB 3.3Å; Y1513-N1546 PolarHBondContact OH-ND2 2.9Å; Y1513-L1590 HydrophobicContact CD1-CD2 3.81Å; Y1513-L1590 VanDerWaalsContact CD2-C 3.45Å; Y1513-L1590 HydrophobicContact CD2-CB 3.93Å; Y1513-L1590 HydrophobicContact CD2-CD2 4.21Å; Y1513-L1590 WeakPolarHBondContact CD2-O 3.06Å; Y1513-L1590 HydrophobicContact CE1-CD2 3.95Å; Y1513-L1590 HydrophobicContact CE2-CB 4.39Å; Y1513-L1590 HydrophobicContact CE2-CD2 4.32Å; Y1513-L1590 HydrophobicContact CG-CB 4.2Å; Y1513-L1590 HydrophobicContact CG-CD2 3.95Å; Y1513-N1591 WeakPolarHBondContact CE2-O 3.21Å; Y1513-P1594 HydrophobicContact CE2-CB 4.12Å; Y1513-P1594 HydrophobicContact CE2-CG 3.91Å; Y1513-P1594 WeakPolarHBondContact OH-CB 3.44Å; Y1513-P1594 VanDerWaalsContact OH-CG 3.3Å; Y1513-P1594 WeakPolarHBondContact OH-CG 3.36Å; Y1513-V1621 HydrophobicContact CD1-CG1 3.96Å; Y1513-V1621 HydrophobicContact CE1-CG1 3.42Å; Y1513-V1621 VanDerWaalsContact CE1-CG1 3.42Å; Y1513-V1621 HydrophobicContact CE2-CG1 4.49Å; Y1513-N1625 WeakPolarHBondContact CD1-ND2 3.41Å |
| 1514 | E | 94.9 | Very high | 94.9 | Very high | 26 Ų | 26 | 11.2 Ų | 11.2 | 12% | 0.121 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 127.9 | -170.9 | 179.2 | 158.4 | -168.7 | 0 | 0 | 113.5 | G1507 A1508 S1509 G1510 T1511 C1516 Y1655 L1658 W1662 | G1507-E1514 WeakPolarHBondContact O-CA 3.13Å; A1508-E1514 WeakPolarHBondContact O-CA 3.23Å; S1509-E1514 WeakPolarHBondContact CA-OE2 3.35Å; S1509-E1514 WeakPolarHBondContact CB-OE1 3.35Å; S1509-E1514 VanDerWaalsContact OG-CD 3.31Å; S1509-E1514 PolarHBondContact OG-OE1 2.76Å; G1510-E1514 PolarHBondContact N-OE2 2.95Å; T1511-E1514 WeakPolarHBondContact O-CB 3.36Å; T1511-E1514 PolarHBondContact O-N 3.48Å; T1511-E1514 VanDerWaalsContact O-N 3.11Å; E1514-C1516 PolarHBondContact O-N 3.26Å; E1514-C1516 VanDerWaalsContact O-N 3.13Å; E1514-Y1655 WeakPolarHBondContact O-CE2 3.41Å; E1514-L1658 HydrophobicContact CB-CD2 4.14Å; E1514-L1658 HydrophobicContact CG-CD2 3.67Å; E1514-W1662 HydrophobicContact CB-CH2 4.18Å |
| 1515 | H | 93.8 | Very high | 94.7 | Very high | 24 Ų | 24 | 12.8 Ų | 12.8 | 11% | 0.111 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -2.2 | -177.6 | -58.9 | 9.3 | 0 | 0 | 0 | 116.4 | G1507 Y1513 H1647 Y1655 | G1507-H1515 PolarHBondContact O-N 3.31Å; G1507-H1515 VanDerWaalsContact O-N 3.07Å; Y1513-H1515 PolarHBondContact O-N 2.86Å; H1515-H1647 PolarHBondContact O-NE2 3.03Å; H1515-Y1655 HydrophobicContact CB-CD2 3.89Å; H1515-Y1655 HydrophobicContact CB-CG 4.24Å |
| 1516 | C | 95 | Very high | 94.3 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | trans | -79.5 | 158.8 | 178.1 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | I1506 G1507 Y1513 E1514 F1518 N1625 M1629 Y1655 | I1506-C1516 WeakPolarHBondContact CA-O 3.3Å; G1507-C1516 PolarHBondContact N-O 3.35Å; Y1513-C1516 VanDerWaalsContact O-CB 3.27Å; Y1513-C1516 WeakPolarHBondContact O-CB 3.46Å; Y1513-C1516 PolarHBondContact O-N 3.48Å; E1514-C1516 PolarHBondContact O-N 3.26Å; E1514-C1516 VanDerWaalsContact O-N 3.13Å; C1516-F1518 HydrophobicContact CB-CE2 3.73Å; C1516-F1518 HydrophobicContact CB-CZ 3.84Å; C1516-N1625 HydrophobicContact CB-CB 4.28Å; C1516-M1629 HydrophobicContact CB-CG 4.31Å; C1516-M1629 HydrophobicContact CB-SD 4.4Å; C1516-Y1655 PolarHBondContact SG-OH 2.76Å | ||
| 1517 | L | 95.7 | Very high | 94.1 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.1 | -174.6 | -65 | 179.3 | 0 | 0 | 0 | 112 | M1504 I1506 F1519 M1629 I1632 I1644 | M1504-L1517 HydrophobicContact CE-CD2 4.15Å; M1504-L1517 HydrophobicContact CG-CD2 4.31Å; M1504-L1517 HydrophobicContact SD-CD2 4.06Å; I1506-L1517 HydrophobicContact CG1-CD2 3.63Å; L1517-F1519 HydrophobicContact CB-CE2 3.82Å; L1517-F1519 HydrophobicContact CB-CZ 3.85Å; L1517-F1519 HydrophobicContact CD1-CZ 4.19Å; L1517-M1629 HydrophobicContact CB-SD 4.01Å; L1517-M1629 HydrophobicContact CD1-CE 4.36Å; L1517-M1629 HydrophobicContact CD1-SD 4.47Å; L1517-M1629 HydrophobicContact CG-CE 4.25Å; L1517-M1629 HydrophobicContact CG-SD 4.04Å; L1517-M1629 PolarHBondContact N-SD 3.12Å; L1517-I1632 HydrophobicContact CB-CD1 4.42Å; L1517-I1632 HydrophobicContact CD1-CG2 4.44Å; L1517-I1644 HydrophobicContact CD1-CB 4.45Å; L1517-I1644 HydrophobicContact CD1-CG1 4.14Å; L1517-I1644 HydrophobicContact CD1-CG2 4.31Å |
| 1518 | F | 96.2 | Very high | 94 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 2% | 0.022 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134 | 179.3 | -56.9 | -87.2 | 0 | 0 | 0 | 109.9 | M1504 I1505 Y1513 C1516 F1520 Y1537 V1545 L1590 | M1504-F1518 CarbonylContact C-O 3.6Å; M1504-F1518 WeakPolarHBondContact CA-O 3.44Å; I1505-F1518 PolarHBondContact N-O 2.87Å; I1505-F1518 PolarHBondContact O-N 2.82Å; Y1513-F1518 HydrophobicContact CD1-CE1 4.12Å; Y1513-F1518 HydrophobicContact CD1-CE2 4.23Å; Y1513-F1518 AromaticContact CD1-CZ 3.57Å; Y1513-F1518 HydrophobicContact CD1-CZ 3.57Å; Y1513-F1518 HydrophobicContact CE1-CZ 4.43Å; Y1513-F1518 HydrophobicContact CG-CZ 4.3Å; C1516-F1518 HydrophobicContact CB-CE2 3.73Å; C1516-F1518 HydrophobicContact CB-CZ 3.84Å; F1518-F1520 HydrophobicContact CB-CE2 3.62Å; F1518-F1520 HydrophobicContact CB-CZ 3.84Å; F1518-Y1537 HydrophobicContact CD1-CE2 4.09Å; F1518-V1545 HydrophobicContact CE1-CG2 4.39Å; F1518-L1590 HydrophobicContact CB-CD1 4.47Å; F1518-L1590 HydrophobicContact CD1-CD2 4.2Å; F1518-L1590 HydrophobicContact CD2-CD1 3.7Å; F1518-L1590 HydrophobicContact CD2-CD2 4.3Å; F1518-L1590 HydrophobicContact CE1-CD2 4.22Å; F1518-L1590 HydrophobicContact CE2-CD1 4.24Å; F1518-L1590 HydrophobicContact CE2-CD2 4.33Å; F1518-L1590 HydrophobicContact CG-CD1 4.03Å; F1518-L1590 HydrophobicContact CG-CD2 4.28Å; F1518-L1590 HydrophobicContact CZ-CD2 4.33Å |
| 1519 | F | 95.9 | Very high | 94 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.6 | -174.9 | -55.4 | -89.4 | 0 | 0 | 0 | 110.8 | I1503 M1504 L1517 Y1538 F1540 I1632 F1637 F1640 I1644 | I1503-F1519 WeakPolarHBondContact O-CA 3.41Å; M1504-F1519 HydrophobicContact CB-CD1 4.13Å; M1504-F1519 HydrophobicContact CB-CE1 4.1Å; M1504-F1519 HydrophobicContact CG-CD1 3.95Å; M1504-F1519 HydrophobicContact CG-CE1 3.51Å; M1504-F1519 HydrophobicContact CG-CZ 4.13Å; M1504-F1519 HydrophobicContact SD-CE1 3.73Å; M1504-F1519 HydrophobicContact SD-CZ 4.21Å; L1517-F1519 HydrophobicContact CB-CE2 3.82Å; L1517-F1519 HydrophobicContact CB-CZ 3.85Å; L1517-F1519 HydrophobicContact CD1-CZ 4.19Å; F1519-Y1538 HydrophobicContact CB-CD2 4.34Å; F1519-Y1538 PolarHBondContact O-N 3.06Å; F1519-F1540 AromaticContact CD2-CE2 3.66Å; F1519-F1540 HydrophobicContact CD2-CE2 3.66Å; F1519-F1540 AromaticContact CD2-CZ 3.97Å; F1519-F1540 HydrophobicContact CD2-CZ 3.97Å; F1519-F1540 HydrophobicContact CE2-CE2 4.24Å; F1519-F1540 HydrophobicContact CE2-CZ 4.34Å; F1519-I1632 HydrophobicContact CE2-CD1 3.92Å; F1519-I1632 HydrophobicContact CE2-CG1 4.17Å; F1519-I1632 HydrophobicContact CE2-CG2 4.21Å; F1519-I1632 HydrophobicContact CZ-CG2 4.35Å; F1519-F1637 HydrophobicContact CD1-CD1 4.22Å; F1519-F1637 HydrophobicContact CE1-CB 4.47Å; F1519-F1640 HydrophobicContact CD1-CB 4.48Å; F1519-F1640 AromaticContact CD1-CD2 3.72Å; F1519-F1640 HydrophobicContact CD1-CD2 3.72Å; F1519-F1640 HydrophobicContact CD1-CE2 4.29Å; F1519-F1640 HydrophobicContact CD1-CG 4.33Å; F1519-F1640 HydrophobicContact CE1-CB 3.93Å; F1519-F1640 AromaticContact CE1-CD2 4Å; F1519-F1640 HydrophobicContact CE1-CD2 4Å; F1519-F1640 HydrophobicContact CE1-CG 4.14Å; F1519-I1644 HydrophobicContact CE1-CD1 3.77Å; F1519-I1644 HydrophobicContact CE1-CG1 3.94Å; F1519-I1644 HydrophobicContact CZ-CD1 3.59Å; F1519-I1644 HydrophobicContact CZ-CG1 3.67Å |
| 1520 | F | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 127.6 | -178.4 | -50.6 | -88.7 | 0 | 0 | 0 | 110.3 | S1502 I1503 I1505 F1518 V1535 H1536 Y1537 L1549 I1555 I1585 | S1502-F1520 CarbonylContact C-O 3.57Å; S1502-F1520 WeakPolarHBondContact CA-O 3.47Å; I1503-F1520 HydrophobicContact CB-CB 4.33Å; I1503-F1520 PolarHBondContact N-O 3.15Å; I1503-F1520 PolarHBondContact O-N 3.39Å; I1505-F1520 HydrophobicContact CB-CE2 4.31Å; I1505-F1520 HydrophobicContact CD1-CD2 4.18Å; I1505-F1520 HydrophobicContact CD1-CE2 3.77Å; I1505-F1520 HydrophobicContact CG1-CD2 4.28Å; I1505-F1520 HydrophobicContact CG1-CE2 4Å; F1518-F1520 HydrophobicContact CB-CE2 3.62Å; F1518-F1520 HydrophobicContact CB-CZ 3.84Å; F1520-V1535 HydrophobicContact CB-CG1 4.08Å; F1520-V1535 HydrophobicContact CD1-CG1 4.44Å; F1520-H1536 CarbonylContact C-O 3.45Å; F1520-H1536 VanDerWaalsContact CA-O 3.25Å; F1520-H1536 WeakPolarHBondContact CA-O 3.22Å; F1520-Y1537 HydrophobicContact CD1-CD2 4.03Å; F1520-Y1537 HydrophobicContact CD1-CG 4.45Å; F1520-Y1537 AromaticContact CE1-CD2 3.54Å; F1520-Y1537 HydrophobicContact CE1-CD2 3.54Å; F1520-Y1537 HydrophobicContact CE1-CE2 4.5Å; F1520-Y1537 HydrophobicContact CE1-CG 4.06Å; F1520-Y1537 HydrophobicContact CZ-CD2 4.04Å; F1520-L1549 HydrophobicContact CE1-CD2 4.1Å; F1520-I1555 HydrophobicContact CD1-CD1 3.64Å; F1520-I1555 HydrophobicContact CE1-CD1 3.93Å; F1520-I1585 HydrophobicContact CE1-CG2 4.09Å; F1520-I1585 HydrophobicContact CE2-CG2 3.93Å; F1520-I1585 HydrophobicContact CZ-CG2 3.57Å |
| 1521 | D | 96.5 | Very high | 94 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 145.8 | 164.6 | -84.3 | -9.1 | 0 | 0 | 0 | 110.2 | H1456 R1457 F1458 S1502 V1535 H1536 Y1538 | H1456-D1521 WeakPolarHBondContact CA-OD2 3.25Å; H1456-D1521 IonicContact CD2-OD1 3.45Å; H1456-D1521 PolarHBondContact CD2-OD1 3.41Å; H1456-D1521 IonicContact CD2-OD2 3.65Å; H1456-D1521 PolarHBondContact CD2-OD2 2.74Å; H1456-D1521 VanDerWaalsContact CD2-OD2 3.3Å; H1456-D1521 IonicContact CG-OD1 3.82Å; H1456-D1521 IonicContact CG-OD2 3.01Å; H1456-D1521 VanDerWaalsContact CG-OD2 3.3Å; H1456-D1521 IonicContact ND1-OD2 2.66Å; H1456-D1521 IonicContact NE2-OD1 2.77Å; H1456-D1521 PolarHBondContact NE2-OD1 2.93Å; H1456-D1521 IonicContact NE2-OD2 2.69Å; R1457-D1521 HydrophobicContact CB-CB 4.09Å; R1457-D1521 PolarHBondContact N-OD2 3.31Å; F1458-D1521 HydrophobicContact CD2-CB 4.19Å; F1458-D1521 HydrophobicContact CE2-CB 4.25Å; S1502-D1521 WeakPolarHBondContact CB-OD1 3.43Å; S1502-D1521 PolarHBondContact OG-OD1 2.87Å; D1521-V1535 CarbonylContact O-C 3.58Å; D1521-V1535 VanDerWaalsContact O-CA 3.31Å; D1521-V1535 WeakPolarHBondContact O-CA 3.24Å; D1521-H1536 PolarHBondContact N-O 3.28Å; D1521-H1536 PolarHBondContact O-N 3.15Å; D1521-Y1538 HydrophobicContact CB-CE2 4.09Å; D1521-Y1538 PolarHBondContact OD2-OH 3.25Å |
| 1522 | V | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129 | -179.2 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | H1456 Y1501 I1503 L1524 P1533 Q1534 V1535 | H1456-V1522 PolarHBondContact CE1-O 3.13Å; Y1501-V1522 PolarHBondContact N-O 2.86Å; Y1501-V1522 PolarHBondContact O-N 2.91Å; I1503-V1522 HydrophobicContact CD1-CG2 3.84Å; I1503-V1522 HydrophobicContact CG1-CG2 4.12Å; V1522-L1524 HydrophobicContact CG1-CD2 4.01Å; V1522-P1533 HydrophobicContact CG1-CB 3.7Å; V1522-Q1534 CarbonylContact C-O 3.51Å; V1522-Q1534 VanDerWaalsContact CA-O 3.3Å; V1522-Q1534 WeakPolarHBondContact CA-O 3.28Å; V1522-V1535 HydrophobicContact CG2-CG1 4.25Å; V1522-V1535 HydrophobicContact CG2-CG2 4.4Å |
| 1523 | G | 94.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 5% | 0.052 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1534 | G1523-Q1534 PolarHBondContact N-O 3.5Å; G1523-Q1534 PolarHBondContact O-N 3.46Å |
| 1524 | L | 94.6 | Very high | 93.8 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | trans | -92.2 | 110.7 | 177.2 | -52.5 | -175.2 | 0 | 0 | 0 | 110 | F1470 L1474 D1499 Y1501 V1522 Y1528 P1533 L1578 | F1470-L1524 HydrophobicContact CE2-CB 3.75Å; F1470-L1524 HydrophobicContact CZ-CB 3.88Å; F1470-L1524 HydrophobicContact CZ-CD1 4.11Å; L1474-L1524 HydrophobicContact CD1-CD1 3.44Å; L1474-L1524 VanDerWaalsContact CD1-CD1 3.44Å; D1499-L1524 WeakPolarHBondContact O-CB 3.47Å; D1499-L1524 WeakPolarHBondContact O-CG 3.34Å; D1499-L1524 PolarHBondContact O-N 3.31Å; Y1501-L1524 HydrophobicContact CD2-CD1 4.1Å; Y1501-L1524 HydrophobicContact CD2-CG 4.34Å; Y1501-L1524 HydrophobicContact CE2-CD1 3.67Å; Y1501-L1524 HydrophobicContact CE2-CG 4.36Å; V1522-L1524 HydrophobicContact CG1-CD2 4.01Å; L1524-Y1528 HydrophobicContact CB-CG 4.41Å; L1524-Y1528 HydrophobicContact CD1-CD1 4.34Å; L1524-Y1528 HydrophobicContact CD1-CE1 4.43Å; L1524-Y1528 HydrophobicContact CD2-CD2 4.17Å; L1524-Y1528 HydrophobicContact CD2-CE2 4.18Å; L1524-Y1528 HydrophobicContact CD2-CG 4.47Å; L1524-P1533 HydrophobicContact CD2-CB 3.95Å; L1524-P1533 HydrophobicContact CD2-CG 4.06Å; L1524-L1578 HydrophobicContact CD1-CD1 4.3Å; L1524-L1578 HydrophobicContact CD2-CD1 4.32Å; L1524-L1578 HydrophobicContact CD2-CD2 3.86Å | ||
| 1525 | A | 90.8 | Very high | 93.9 | Very high | 36 Ų | 36 | 22 Ų | 22 | 30% | 0.298 | 14% | 0.135 | S | C | . | . | trans | -60.9 | 152.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1470 S1527 Y1528 | F1470-A1525 WeakPolarHBondContact CE2-O 3.47Å; A1525-S1527 PolarHBondContact O-N 2.78Å; A1525-Y1528 WeakPolarHBondContact O-CB 3.15Å; A1525-Y1528 PolarHBondContact O-N 3.06Å | ||
| 1526 | S | 88.5 | Confident | 94 | Very high | 41 Ų | 41 | 21.5 Ų | 21.5 | 29% | 0.287 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10.3 | 179.5 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | P1467 | P1467-S1526 WeakPolarHBondContact CD-O 3.32Å; P1467-S1526 WeakPolarHBondContact CG-O 3.5Å |
| 1527 | S | 90.6 | Very high | 94 | Very high | 35 Ų | 35 | 21.7 Ų | 21.7 | 25% | 0.245 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -4.1 | 171.7 | 38.8 | 0 | 0 | 0 | 0 | 114.3 | A1525 T1530 T1531 | A1525-S1527 PolarHBondContact O-N 2.78Å; S1527-T1530 WeakPolarHBondContact O-CA 3.27Å; S1527-T1530 VanDerWaalsContact O-CB 3.22Å; S1527-T1530 WeakPolarHBondContact O-CB 3.28Å; S1527-T1530 PolarHBondContact O-N 3.19Å; S1527-T1530 PolarHBondContact O-OG1 3.42Å; S1527-T1531 WeakPolarHBondContact CB-OG1 3.35Å; S1527-T1531 WeakPolarHBondContact OG-CG2 3.31Å; S1527-T1531 PolarHBondContact OG-OG1 3.44Å |
| 1528 | Y | 92.8 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 134.5 | 178 | -175.6 | -94.1 | 0 | 0 | 0 | 111.1 | F1470 A1473 D1477 L1524 A1525 P1533 W1571 L1578 | F1470-Y1528 WeakPolarHBondContact CA-O 3.49Å; F1470-Y1528 HydrophobicContact CD2-CD1 4.42Å; F1470-Y1528 HydrophobicContact CE2-CD1 4.46Å; A1473-Y1528 HydrophobicContact CB-CD1 4.19Å; A1473-Y1528 HydrophobicContact CB-CE1 3.88Å; D1477-Y1528 VanDerWaalsContact OD2-CE1 3.22Å; D1477-Y1528 WeakPolarHBondContact OD2-CE1 3.28Å; D1477-Y1528 VanDerWaalsContact OD2-CZ 3.3Å; D1477-Y1528 PolarHBondContact OD2-OH 3.14Å; L1524-Y1528 HydrophobicContact CB-CG 4.41Å; L1524-Y1528 HydrophobicContact CD1-CD1 4.34Å; L1524-Y1528 HydrophobicContact CD1-CE1 4.43Å; L1524-Y1528 HydrophobicContact CD2-CD2 4.17Å; L1524-Y1528 HydrophobicContact CD2-CE2 4.18Å; L1524-Y1528 HydrophobicContact CD2-CG 4.47Å; A1525-Y1528 WeakPolarHBondContact O-CB 3.15Å; A1525-Y1528 PolarHBondContact O-N 3.06Å; Y1528-P1533 HydrophobicContact CD2-CG 4.36Å; Y1528-P1533 HydrophobicContact CE2-CG 3.84Å; Y1528-W1571 HydrophobicContact CD2-CZ2 4.21Å; Y1528-W1571 AromaticContact CE2-CH2 3.68Å; Y1528-W1571 HydrophobicContact CE2-CH2 3.68Å; Y1528-W1571 AromaticContact CE2-CZ2 3.37Å; Y1528-W1571 HydrophobicContact CE2-CZ2 3.37Å; Y1528-W1571 AromaticContact CZ-CZ2 3.96Å; Y1528-L1578 HydrophobicContact CE2-CD2 4.33Å |
| 1529 | P | 92.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92.7 | 8.9 | 10.7 | 39.6 | -38.4 | 0 | 0 | 0 | 115 | A1473 T1531 W1571 A1573 | A1473-P1529 HydrophobicContact CB-CB 3.96Å; A1473-P1529 HydrophobicContact CB-CG 3.72Å; P1529-T1531 VanDerWaalsContact C-N 3.29Å; P1529-T1531 PolarHBondContact O-N 2.96Å; P1529-W1571 PolarHBondContact O-NE1 3.2Å; P1529-A1573 HydrophobicContact CG-CB 4.34Å; P1529-A1573 WeakPolarHBondContact O-CA 3.39Å; P1529-A1573 WeakPolarHBondContact O-CB 3.5Å |
| 1530 | T | 91.2 | Very high | 93.3 | Very high | 108 Ų | 108 | 26.1 Ų | 26.1 | 66% | 0.663 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -65.2 | -33.5 | 179.6 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | S1527 | S1527-T1530 WeakPolarHBondContact O-CA 3.27Å; S1527-T1530 VanDerWaalsContact O-CB 3.22Å; S1527-T1530 WeakPolarHBondContact O-CB 3.28Å; S1527-T1530 PolarHBondContact O-N 3.19Å; S1527-T1530 PolarHBondContact O-OG1 3.42Å |
| 1531 | T | 90.7 | Very high | 92.4 | Very high | 44 Ų | 44 | 27 Ų | 27 | 27% | 0.27 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -105.7 | 143.6 | 171.5 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | S1527 P1529 | S1527-T1531 WeakPolarHBondContact CB-OG1 3.35Å; S1527-T1531 WeakPolarHBondContact OG-CG2 3.31Å; S1527-T1531 PolarHBondContact OG-OG1 3.44Å; P1529-T1531 VanDerWaalsContact C-N 3.29Å; P1529-T1531 PolarHBondContact O-N 2.96Å |
| 1532 | P | 93.9 | Very high | 91.3 | Very high | 39 Ų | 39 | 31.2 Ų | 31.2 | 25% | 0.253 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -59.3 | 158.5 | 172.9 | 23.6 | -32.8 | 0 | 0 | 0 | 112.5 | W1571 | P1532-W1571 HydrophobicContact CB-CB 3.89Å; P1532-W1571 HydrophobicContact CB-CD2 3.84Å; P1532-W1571 HydrophobicContact CB-CE3 4.18Å; P1532-W1571 HydrophobicContact CB-CG 3.66Å; P1532-W1571 HydrophobicContact CG-CB 4.32Å; P1532-W1571 HydrophobicContact CG-CG 4.37Å |
| 1533 | P | 94.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.039 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 146.8 | 168 | -21.3 | 33.9 | 0 | 0 | 0 | 111.7 | V1522 L1524 Y1528 V1535 W1571 L1578 L1581 | V1522-P1533 HydrophobicContact CG1-CB 3.7Å; L1524-P1533 HydrophobicContact CD2-CB 3.95Å; L1524-P1533 HydrophobicContact CD2-CG 4.06Å; Y1528-P1533 HydrophobicContact CD2-CG 4.36Å; Y1528-P1533 HydrophobicContact CE2-CG 3.84Å; P1533-V1535 HydrophobicContact CB-CG2 4.41Å; P1533-W1571 HydrophobicContact CG-CH2 4.06Å; P1533-W1571 HydrophobicContact CG-CZ3 4.13Å; P1533-L1578 HydrophobicContact CB-CD2 4.35Å; P1533-L1578 HydrophobicContact CG-CD2 3.54Å; P1533-L1581 HydrophobicContact CB-CD2 4.09Å; P1533-L1581 HydrophobicContact CG-CD2 3.91Å |
| 1534 | Q | 94 | Very high | 90.2 | Very high | 74 Ų | 74 | 37.2 Ų | 37.2 | 35% | 0.346 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 136.2 | 161.1 | -66.6 | -176.1 | -26.5 | 0 | 0 | 108.4 | F1458 V1522 G1523 | F1458-Q1534 HydrophobicContact CD1-CB 4.42Å; F1458-Q1534 HydrophobicContact CE1-CB 3.6Å; F1458-Q1534 HydrophobicContact CZ-CB 3.68Å; V1522-Q1534 CarbonylContact C-O 3.51Å; V1522-Q1534 VanDerWaalsContact CA-O 3.3Å; V1522-Q1534 WeakPolarHBondContact CA-O 3.28Å; G1523-Q1534 PolarHBondContact N-O 3.5Å; G1523-Q1534 PolarHBondContact O-N 3.46Å |
| 1535 | V | 96.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.3 | -178.5 | -167.1 | 0 | 0 | 0 | 0 | 109.5 | F1520 D1521 V1522 P1533 I1555 L1560 L1581 | F1520-V1535 HydrophobicContact CB-CG1 4.08Å; F1520-V1535 HydrophobicContact CD1-CG1 4.44Å; D1521-V1535 CarbonylContact O-C 3.58Å; D1521-V1535 VanDerWaalsContact O-CA 3.31Å; D1521-V1535 WeakPolarHBondContact O-CA 3.24Å; V1522-V1535 HydrophobicContact CG2-CG1 4.25Å; V1522-V1535 HydrophobicContact CG2-CG2 4.4Å; P1533-V1535 HydrophobicContact CB-CG2 4.41Å; V1535-I1555 HydrophobicContact CB-CD1 4.05Å; V1535-I1555 HydrophobicContact CG1-CD1 3.53Å; V1535-L1560 HydrophobicContact CB-CD1 4.13Å; V1535-L1560 HydrophobicContact CG2-CD1 3.82Å; V1535-L1560 HydrophobicContact CG2-CD2 3.71Å; V1535-L1560 HydrophobicContact CG2-CG 4.44Å; V1535-L1581 HydrophobicContact CG2-CD2 3.86Å |
| 1536 | H | 96 | Very high | 90.2 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 7% | 0.069 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 121.7 | 176.8 | 178 | 55.9 | 0 | 0 | 0 | 110.3 | R1457 F1458 F1520 D1521 Y1538 D1552 G1553 | R1457-H1536 HydrophobicContact CB-CB 4.11Å; R1457-H1536 HydrophobicContact CG-CB 3.76Å; R1457-H1536 VanDerWaalsContact CG-CD2 3.44Å; R1457-H1536 WeakPolarHBondContact CG-CD2 3.22Å; R1457-H1536 VanDerWaalsContact CZ-CE1 3.43Å; R1457-H1536 PolarHBondContact NH1-CE1 3.45Å; R1457-H1536 PolarHBondContact NH1-NE2 3.49Å; R1457-H1536 VanDerWaalsContact NH1-NE2 3.18Å; F1458-H1536 HydrophobicContact CE2-CB 4.01Å; F1458-H1536 HydrophobicContact CZ-CB 4.12Å; F1520-H1536 CarbonylContact C-O 3.45Å; F1520-H1536 VanDerWaalsContact CA-O 3.25Å; F1520-H1536 WeakPolarHBondContact CA-O 3.22Å; D1521-H1536 PolarHBondContact N-O 3.28Å; D1521-H1536 PolarHBondContact O-N 3.15Å; H1536-Y1538 AromaticContact CD2-CE2 3.93Å; H1536-Y1538 AromaticContact CD2-CZ 3.78Å; H1536-D1552 PolarHBondContact CE1-O 2.89Å; H1536-D1552 VanDerWaalsContact CE1-O 3.24Å; H1536-G1553 WeakPolarHBondContact CA-O 3.43Å; H1536-G1553 PolarHBondContact ND1-O 2.98Å |
| 1537 | Y | 95.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 139.7 | 173.7 | 167.8 | -118.8 | 0 | 0 | 0 | 110.9 | F1518 F1520 V1545 L1549 G1553 | F1518-Y1537 HydrophobicContact CD1-CE2 4.09Å; F1520-Y1537 HydrophobicContact CD1-CD2 4.03Å; F1520-Y1537 HydrophobicContact CD1-CG 4.45Å; F1520-Y1537 AromaticContact CE1-CD2 3.54Å; F1520-Y1537 HydrophobicContact CE1-CD2 3.54Å; F1520-Y1537 HydrophobicContact CE1-CE2 4.5Å; F1520-Y1537 HydrophobicContact CE1-CG 4.06Å; F1520-Y1537 HydrophobicContact CZ-CD2 4.04Å; Y1537-V1545 HydrophobicContact CE1-CG2 4.44Å; Y1537-L1549 HydrophobicContact CD1-CB 4.02Å; Y1537-L1549 HydrophobicContact CD1-CD2 4.37Å; Y1537-L1549 HydrophobicContact CE1-CB 4.09Å; Y1537-L1549 HydrophobicContact CG-CD2 4.15Å; Y1537-G1553 PolarHBondContact N-O 3.46Å; Y1537-G1553 WeakPolarHBondContact O-CA 3.43Å |
| 1538 | Y | 93.5 | Very high | 90.5 | Very high | 38 Ų | 38 | 32.7 Ų | 32.7 | 15% | 0.149 | 18% | 0.178 | C | C | . | . | trans | -95.8 | 105.5 | 170.2 | -73.8 | -86.9 | 0 | 0 | 0 | 110.8 | N1455 R1457 F1519 D1521 H1536 F1540 F1637 | N1455-Y1538 PolarHBondContact O-OH 2.8Å; R1457-Y1538 PolarHBondContact N-OH 2.93Å; F1519-Y1538 HydrophobicContact CB-CD2 4.34Å; F1519-Y1538 PolarHBondContact O-N 3.06Å; D1521-Y1538 HydrophobicContact CB-CE2 4.09Å; D1521-Y1538 PolarHBondContact OD2-OH 3.25Å; H1536-Y1538 AromaticContact CD2-CE2 3.93Å; H1536-Y1538 AromaticContact CD2-CZ 3.78Å; Y1538-F1540 VanDerWaalsContact O-CD2 3.23Å; Y1538-F1540 WeakPolarHBondContact O-CD2 3.22Å; Y1538-F1540 VanDerWaalsContact O-CE2 3.29Å; Y1538-F1540 WeakPolarHBondContact O-CE2 3.32Å; Y1538-F1637 AromaticContact CD1-CE2 3.88Å; Y1538-F1637 HydrophobicContact CD1-CE2 3.88Å; Y1538-F1637 HydrophobicContact CD1-CZ 4.06Å; Y1538-F1637 HydrophobicContact CD2-CE1 4.41Å; Y1538-F1637 HydrophobicContact CD2-CE2 4.34Å; Y1538-F1637 AromaticContact CD2-CZ 3.79Å; Y1538-F1637 HydrophobicContact CD2-CZ 3.79Å; Y1538-F1637 AromaticContact CE1-CE2 3.87Å; Y1538-F1637 HydrophobicContact CE1-CE2 3.87Å; Y1538-F1637 AromaticContact CE1-CZ 3.83Å; Y1538-F1637 HydrophobicContact CE1-CZ 3.83Å; Y1538-F1637 HydrophobicContact CE2-CE1 4.27Å; Y1538-F1637 HydrophobicContact CE2-CE2 4.34Å; Y1538-F1637 AromaticContact CE2-CZ 3.55Å; Y1538-F1637 HydrophobicContact CE2-CZ 3.55Å; Y1538-F1637 HydrophobicContact CG-CE2 4.12Å; Y1538-F1637 HydrophobicContact CG-CZ 4.05Å; Y1538-F1637 AromaticContact CZ-CZ 3.58Å | ||
| 1539 | S | 90.8 | Very high | 90.6 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | trans | -75.2 | 141.5 | 168.1 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | G1541 | S1539-G1541 PolarHBondContact OG-N 3.19Å; S1539-G1541 PolarHBondContact OG-O 3.09Å | ||
| 1540 | F | 88.1 | Confident | 90.5 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -114.6 | 12.9 | 175.5 | -68.6 | -96.4 | 0 | 0 | 0 | 112.6 | N793 F1519 Y1538 S1631 I1632 F1637 | N793-F1540 PolarHBondContact ND2-O 3Å; F1519-F1540 AromaticContact CD2-CE2 3.66Å; F1519-F1540 HydrophobicContact CD2-CE2 3.66Å; F1519-F1540 AromaticContact CD2-CZ 3.97Å; F1519-F1540 HydrophobicContact CD2-CZ 3.97Å; F1519-F1540 HydrophobicContact CE2-CE2 4.24Å; F1519-F1540 HydrophobicContact CE2-CZ 4.34Å; Y1538-F1540 VanDerWaalsContact O-CD2 3.23Å; Y1538-F1540 WeakPolarHBondContact O-CD2 3.22Å; Y1538-F1540 VanDerWaalsContact O-CE2 3.29Å; Y1538-F1540 WeakPolarHBondContact O-CE2 3.32Å; F1540-S1631 PolarHBondContact O-OG 3.41Å; F1540-I1632 HydrophobicContact CB-CG1 4.37Å; F1540-I1632 HydrophobicContact CD1-CD1 4.5Å; F1540-I1632 HydrophobicContact CD1-CG1 3.55Å; F1540-I1632 HydrophobicContact CD2-CD1 4.01Å; F1540-I1632 HydrophobicContact CD2-CG1 3.89Å; F1540-I1632 HydrophobicContact CE1-CG1 3.69Å; F1540-I1632 HydrophobicContact CE2-CD1 4.31Å; F1540-I1632 HydrophobicContact CE2-CG1 4.05Å; F1540-I1632 HydrophobicContact CG-CD1 4.13Å; F1540-I1632 HydrophobicContact CG-CG1 3.66Å; F1540-I1632 HydrophobicContact CZ-CG1 3.95Å; F1540-F1637 HydrophobicContact CZ-CD2 4.43Å |
| 1541 | G | 77.6 | Confident | 90.3 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 19% | 0.186 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -150 | 172 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S1539 | S1539-G1541 PolarHBondContact OG-N 3.19Å; S1539-G1541 PolarHBondContact OG-O 3.09Å |
| 1542 | N | 73.2 | Confident | 90.2 | Very high | 91 Ų | 91 | 33.3 Ų | 33.3 | 49% | 0.487 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -91.3 | 7.6 | -171.2 | -57.6 | -59.3 | 0 | 0 | 0 | 114.2 | N793 | N793-N1542 PolarHBondContact OD1-ND2 3.16Š|
| 1543 | E | 81.2 | Confident | 90 | Very high | 65 Ų | 65 | 31.5 Ų | 31.5 | 30% | 0.304 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -132.2 | 152 | -174.4 | -73.8 | 165 | -147.5 | 0 | 0 | 110.4 | K789 V1545 V1551 L1624 | K789-E1543 WeakPolarHBondContact CD-OE1 3.26Å; K789-E1543 WeakPolarHBondContact CE-OE1 3.34Å; K789-E1543 IonicContact NZ-OE1 3.52Å; K789-E1543 PolarHBondContact NZ-OE1 2.94Å; K789-E1543 IonicContact NZ-OE2 3.84Å; K789-E1543 PolarHBondContact NZ-OE2 2.66Å; E1543-V1545 PolarHBondContact O-N 3.49Å; E1543-V1551 VanDerWaalsContact C-CG2 3.5Å; E1543-L1624 HydrophobicContact CB-CD1 3.99Å; E1543-L1624 HydrophobicContact CB-CD2 4.16Å |
| 1544 | K | 87.2 | Confident | 89.9 | Confident | 68 Ų | 68 | 31.5 Ų | 31.5 | 30% | 0.296 | 16% | 0.162 | S | C | . | . | trans | -66 | 127.4 | 176.9 | -72.1 | -167.1 | -178.6 | -177.1 | 0 | 110.4 | N1546 P1547 E1598 | K1544-N1546 VanDerWaalsContact C-N 3.35Å; K1544-P1547 PolarHBondContact NZ-O 2.69Å; K1544-E1598 IonicContact NZ-OE2 3.39Å | ||
| 1545 | V | 91.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -86.6 | -6.1 | 169.6 | -63.6 | 0 | 0 | 0 | 0 | 113.3 | Y1513 F1518 Y1537 E1543 L1549 V1621 L1624 | Y1513-V1545 WeakPolarHBondContact CE1-O 3.41Å; Y1513-V1545 PolarHBondContact OH-O 2.95Å; F1518-V1545 HydrophobicContact CE1-CG2 4.39Å; Y1537-V1545 HydrophobicContact CE1-CG2 4.44Å; E1543-V1545 PolarHBondContact O-N 3.49Å; V1545-L1549 HydrophobicContact CG2-CB 4.45Å; V1545-L1549 HydrophobicContact CG2-CD1 4.15Å; V1545-V1621 WeakPolarHBondContact O-CG2 3.33Å; V1545-L1624 HydrophobicContact CG1-CB 4.03Å |
| 1546 | N | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -161.5 | 144.4 | 176.6 | -177.8 | -84.3 | 0 | 0 | 0 | 107.8 | Y1513 K1544 N1548 L1549 I1589 P1594 Y1617 | Y1513-N1546 WeakPolarHBondContact OH-CB 3.3Å; Y1513-N1546 PolarHBondContact OH-ND2 2.9Å; K1544-N1546 VanDerWaalsContact C-N 3.35Å; N1546-N1548 PolarHBondContact O-N 2.83Å; N1546-N1548 VanDerWaalsContact O-N 3.11Å; N1546-N1548 WeakPolarHBondContact OD1-CA 3.26Å; N1546-N1548 VanDerWaalsContact OD1-CB 3.29Å; N1546-N1548 WeakPolarHBondContact OD1-CB 3.47Å; N1546-N1548 PolarHBondContact OD1-N 3.34Å; N1546-N1548 PolarHBondContact OD1-OD1 3.36Å; N1546-L1549 HydrophobicContact CB-CB 4.04Å; N1546-L1549 HydrophobicContact CB-CD1 4.07Å; N1546-L1549 HydrophobicContact CB-CG 4Å; N1546-L1549 PolarHBondContact O-N 2.9Å; N1546-I1589 HydrophobicContact CB-CG2 4.18Å; N1546-I1589 PolarHBondContact ND2-O 2.63Å; N1546-P1594 WeakPolarHBondContact ND2-CB 3.43Å; N1546-Y1617 WeakPolarHBondContact CA-OH 3.48Å |
| 1547 | P | 91.5 | Very high | 89.3 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -36.9 | 176.3 | -30.7 | 39.2 | 0 | 0 | 0 | 113.9 | K1544 Y1550 P1594 N1597 E1598 Y1617 | K1544-P1547 PolarHBondContact NZ-O 2.69Å; P1547-Y1550 WeakPolarHBondContact O-CE2 3.43Å; P1547-P1594 WeakPolarHBondContact CD-O 3.33Å; P1547-P1594 WeakPolarHBondContact CG-O 3.48Å; P1547-N1597 HydrophobicContact CB-CB 4.18Å; P1547-N1597 HydrophobicContact CG-CB 4.01Å; P1547-E1598 HydrophobicContact CB-CB 3.93Å; P1547-E1598 HydrophobicContact CB-CG 4.49Å; P1547-E1598 HydrophobicContact CG-CB 4Å; P1547-Y1617 WeakPolarHBondContact CD-OH 3.27Å |
| 1548 | N | 93.8 | Very high | 89 | Confident | 15 Ų | 15 | 28.1 Ų | 28.1 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7.4 | -178.5 | -43.6 | 139.1 | 0 | 0 | 0 | 114.4 | N1546 I1555 C1556 I1589 N1597 | N1546-N1548 PolarHBondContact O-N 2.83Å; N1546-N1548 VanDerWaalsContact O-N 3.11Å; N1546-N1548 WeakPolarHBondContact OD1-CA 3.26Å; N1546-N1548 VanDerWaalsContact OD1-CB 3.29Å; N1546-N1548 WeakPolarHBondContact OD1-CB 3.47Å; N1546-N1548 PolarHBondContact OD1-N 3.34Å; N1546-N1548 PolarHBondContact OD1-OD1 3.36Å; N1548-I1555 WeakPolarHBondContact O-CA 3.36Å; N1548-C1556 HydrophobicContact CB-CB 3.95Å; N1548-C1556 WeakPolarHBondContact CB-O 3.41Å; N1548-C1556 PolarHBondContact O-N 3.3Å; N1548-I1589 HydrophobicContact CB-CD1 4.5Å; N1548-N1597 PolarHBondContact ND2-O 2.69Å; N1548-N1597 WeakPolarHBondContact OD1-CB 3.22Å; N1548-N1597 PolarHBondContact OD1-ND2 3.3Å |
| 1549 | L | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -109.9 | 103.9 | 177.3 | -64.5 | 179.1 | 0 | 0 | 0 | 110.4 | F1520 Y1537 V1545 N1546 I1555 I1589 L1590 | F1520-L1549 HydrophobicContact CE1-CD2 4.1Å; Y1537-L1549 HydrophobicContact CD1-CB 4.02Å; Y1537-L1549 HydrophobicContact CD1-CD2 4.37Å; Y1537-L1549 HydrophobicContact CE1-CB 4.09Å; Y1537-L1549 HydrophobicContact CG-CD2 4.15Å; V1545-L1549 HydrophobicContact CG2-CB 4.45Å; V1545-L1549 HydrophobicContact CG2-CD1 4.15Å; N1546-L1549 HydrophobicContact CB-CB 4.04Å; N1546-L1549 HydrophobicContact CB-CD1 4.07Å; N1546-L1549 HydrophobicContact CB-CG 4Å; N1546-L1549 PolarHBondContact O-N 2.9Å; L1549-I1555 HydrophobicContact CD2-CD1 4.45Å; L1549-I1555 HydrophobicContact CD2-CG1 4.08Å; L1549-I1555 HydrophobicContact CD2-CG2 4.19Å; L1549-I1589 HydrophobicContact CD1-CG2 3.75Å; L1549-I1589 HydrophobicContact CD2-CD1 4.39Å; L1549-I1589 HydrophobicContact CD2-CG2 4.04Å; L1549-I1589 HydrophobicContact CG-CG2 3.61Å; L1549-L1590 HydrophobicContact CD1-CD2 4.2Å |
| 1550 | Y | 90.8 | Very high | 88.7 | Confident | 55 Ų | 55 | 26 Ų | 26 | 22% | 0.216 | 14% | 0.137 | C | C | . | . | trans | -88.7 | 152.4 | -173.9 | -71.2 | -128.2 | 0 | 0 | 0 | 111 | P1547 D1552 G1553 H1554 | P1547-Y1550 WeakPolarHBondContact O-CE2 3.43Å; Y1550-D1552 VanDerWaalsContact C-N 3.28Å; Y1550-D1552 WeakPolarHBondContact CB-OD1 3.26Å; Y1550-D1552 PolarHBondContact O-N 3.34Å; Y1550-G1553 WeakPolarHBondContact O-CA 2.99Å; Y1550-G1553 PolarHBondContact O-N 3.23Å; Y1550-H1554 HydrophobicContact CG-CB 4.13Å; Y1550-H1554 PolarHBondContact N-O 2.84Å | ||
| 1551 | V | 87.3 | Confident | 88.5 | Confident | 63 Ų | 63 | 27.3 Ų | 27.3 | 38% | 0.382 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -27.9 | -177.7 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | E1543 G1553 | E1543-V1551 VanDerWaalsContact C-CG2 3.5Å; V1551-G1553 PolarHBondContact O-N 2.85Å |
| 1552 | D | 88.1 | Confident | 88.8 | Confident | 62 Ų | 62 | 26.9 Ų | 26.9 | 33% | 0.332 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8 | 171.5 | 82.8 | -45.8 | 0 | 0 | 0 | 113.5 | H1536 Y1550 H1554 | H1536-D1552 PolarHBondContact CE1-O 2.89Å; H1536-D1552 VanDerWaalsContact CE1-O 3.24Å; Y1550-D1552 VanDerWaalsContact C-N 3.28Å; Y1550-D1552 WeakPolarHBondContact CB-OD1 3.26Å; Y1550-D1552 PolarHBondContact O-N 3.34Å; D1552-H1554 VanDerWaalsContact OD1-CB 3.24Å; D1552-H1554 WeakPolarHBondContact OD1-CB 3.24Å; D1552-H1554 PolarHBondContact OD1-N 3.3Å |
| 1553 | G | 90.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 85.3 | 16.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H1536 Y1537 Y1550 V1551 | H1536-G1553 WeakPolarHBondContact CA-O 3.43Å; H1536-G1553 PolarHBondContact ND1-O 2.98Å; Y1537-G1553 PolarHBondContact N-O 3.46Å; Y1537-G1553 WeakPolarHBondContact O-CA 3.43Å; Y1550-G1553 WeakPolarHBondContact O-CA 2.99Å; Y1550-G1553 PolarHBondContact O-N 3.23Å; V1551-G1553 PolarHBondContact O-N 2.85Å |
| 1554 | H | 91.7 | Very high | 88.9 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | trans | -69.1 | 146.3 | 166.2 | 179.9 | -69.3 | 0 | 0 | 0 | 111.3 | Y1152 K1156 Y1550 D1552 C1556 | Y1152-H1554 AromaticContact CE1-NE2 3.93Å; Y1152-H1554 HydrophobicContact CE2-CB 4.04Å; Y1152-H1554 AromaticContact CE2-CD2 3.25Å; Y1152-H1554 WeakPolarHBondContact CE2-CD2 3.22Å; Y1152-H1554 AromaticContact CE2-CG 3.8Å; Y1152-H1554 AromaticContact CE2-NE2 3.99Å; Y1152-H1554 AromaticContact CZ-CD2 3.19Å; Y1152-H1554 AromaticContact CZ-CG 3.87Å; Y1152-H1554 AromaticContact CZ-NE2 3.41Å; Y1152-H1554 PolarHBondContact OH-CD2 3.16Å; Y1152-H1554 PolarHBondContact OH-CE1 3.43Å; Y1152-H1554 PolarHBondContact OH-NE2 2.69Å; Y1152-H1554 VanDerWaalsContact OH-NE2 3.14Å; K1156-H1554 WeakPolarHBondContact CD-NE2 3.4Å; K1156-H1554 WeakPolarHBondContact CE-NE2 3.37Å; K1156-H1554 VanDerWaalsContact CG-NE2 3.32Å; K1156-H1554 WeakPolarHBondContact CG-NE2 3.13Å; Y1550-H1554 HydrophobicContact CG-CB 4.13Å; Y1550-H1554 PolarHBondContact N-O 2.84Å; D1552-H1554 VanDerWaalsContact OD1-CB 3.24Å; D1552-H1554 WeakPolarHBondContact OD1-CB 3.24Å; D1552-H1554 PolarHBondContact OD1-N 3.3Å; H1554-C1556 PolarHBondContact CE1-SG 2.86Å | ||
| 1555 | I | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -127 | 128.6 | 178.5 | -52.7 | 179.6 | 0 | 0 | 0 | 109.4 | Y1152 F1520 V1535 N1548 L1549 L1560 T1562 I1589 | Y1152-I1555 PolarHBondContact OH-N 2.95Å; Y1152-I1555 PolarHBondContact OH-O 3.26Å; Y1152-I1555 VanDerWaalsContact OH-O 3.12Å; F1520-I1555 HydrophobicContact CD1-CD1 3.64Å; F1520-I1555 HydrophobicContact CE1-CD1 3.93Å; V1535-I1555 HydrophobicContact CB-CD1 4.05Å; V1535-I1555 HydrophobicContact CG1-CD1 3.53Å; N1548-I1555 WeakPolarHBondContact O-CA 3.36Å; L1549-I1555 HydrophobicContact CD2-CD1 4.45Å; L1549-I1555 HydrophobicContact CD2-CG1 4.08Å; L1549-I1555 HydrophobicContact CD2-CG2 4.19Å; I1555-L1560 HydrophobicContact CB-CD1 4.44Å; I1555-L1560 HydrophobicContact CG2-CD1 4.34Å; I1555-T1562 WeakPolarHBondContact O-CB 3.25Å; I1555-T1562 PolarHBondContact O-OG1 2.88Å; I1555-I1589 HydrophobicContact CG2-CD1 3.7Å |
| 1556 | C | 90.8 | Very high | 87.5 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | trans | -94.7 | 116.1 | 171.1 | -67.4 | 0 | 0 | 0 | 0 | 110.6 | N1548 H1554 W1563 | N1548-C1556 HydrophobicContact CB-CB 3.95Å; N1548-C1556 WeakPolarHBondContact CB-O 3.41Å; N1548-C1556 PolarHBondContact O-N 3.3Å; H1554-C1556 PolarHBondContact CE1-SG 2.86Å; C1556-W1563 HydrophobicContact CB-CD2 4.46Å; C1556-W1563 HydrophobicContact CB-CE3 3.82Å; C1556-W1563 HydrophobicContact CB-CZ3 4.43Å | ||
| 1557 | L | 90.1 | Very high | 86.6 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | trans | -156.4 | 134.5 | 174.9 | -167 | 66.7 | 0 | 0 | 0 | 109.8 | L1559 L1560 G1561 T1562 W1563 L1581 I1585 L1588 | L1557-L1559 VanDerWaalsContact C-N 3.3Å; L1557-L1559 HydrophobicContact CD2-CB 4.03Å; L1557-L1559 HydrophobicContact CG-CB 4.11Å; L1557-L1559 PolarHBondContact O-N 2.71Å; L1557-L1560 HydrophobicContact CB-CB 4.38Å; L1557-L1560 HydrophobicContact CB-CD1 4.22Å; L1557-L1560 HydrophobicContact CB-CG 4.22Å; L1557-L1560 HydrophobicContact CD2-CG 4.33Å; L1557-L1560 PolarHBondContact O-N 2.9Å; L1557-G1561 PolarHBondContact O-N 3.15Å; L1557-T1562 PolarHBondContact N-OG1 2.66Å; L1557-T1562 PolarHBondContact O-N 2.82Å; L1557-T1562 VanDerWaalsContact O-N 3.09Å; L1557-T1562 PolarHBondContact O-OG1 2.86Å; L1557-W1563 PolarHBondContact O-N 3.34Å; L1557-L1581 HydrophobicContact CD2-CD1 3.97Å; L1557-I1585 HydrophobicContact CD2-CG1 4.48Å; L1557-L1588 HydrophobicContact CD1-CD1 4.21Å | ||
| 1558 | S | 88.4 | Confident | 85.8 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -58.9 | -41.3 | 176.9 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | L1560 G1561 E1569 | S1558-L1560 PolarHBondContact O-N 3.12Å; S1558-G1561 PolarHBondContact O-N 2.98Å; S1558-E1569 CarbonylContact C-O 3.58Å |
| 1559 | L | 88.2 | Confident | 85.2 | Confident | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -61.4 | -12.9 | 174.1 | -171.8 | 60.7 | 0 | 0 | 0 | 114.2 | L1557 E1569 W1571 Q1580 L1581 | L1557-L1559 VanDerWaalsContact C-N 3.3Å; L1557-L1559 HydrophobicContact CD2-CB 4.03Å; L1557-L1559 HydrophobicContact CG-CB 4.11Å; L1557-L1559 PolarHBondContact O-N 2.71Å; L1559-E1569 VanDerWaalsContact CA-O 3.31Å; L1559-E1569 WeakPolarHBondContact CA-O 3.35Å; L1559-E1569 PolarHBondContact N-O 3.07Å; L1559-E1569 VanDerWaalsContact N-O 3.11Å; L1559-W1571 HydrophobicContact CD1-CE3 3.86Å; L1559-W1571 HydrophobicContact CD1-CZ3 4.45Å; L1559-W1571 HydrophobicContact CG-CE3 4.14Å; L1559-Q1580 HydrophobicContact CD2-CB 4.38Å; L1559-L1581 HydrophobicContact CD2-CB 4.44Å |
| 1560 | L | 90.4 | Very high | 84.9 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -103.2 | -0.7 | 172.5 | -66.9 | 178.5 | 0 | 0 | 0 | 113.3 | V1535 I1555 L1557 S1558 T1562 L1581 | V1535-L1560 HydrophobicContact CB-CD1 4.13Å; V1535-L1560 HydrophobicContact CG2-CD1 3.82Å; V1535-L1560 HydrophobicContact CG2-CD2 3.71Å; V1535-L1560 HydrophobicContact CG2-CG 4.44Å; I1555-L1560 HydrophobicContact CB-CD1 4.44Å; I1555-L1560 HydrophobicContact CG2-CD1 4.34Å; L1557-L1560 HydrophobicContact CB-CB 4.38Å; L1557-L1560 HydrophobicContact CB-CD1 4.22Å; L1557-L1560 HydrophobicContact CB-CG 4.22Å; L1557-L1560 HydrophobicContact CD2-CG 4.33Å; L1557-L1560 PolarHBondContact O-N 2.9Å; S1558-L1560 PolarHBondContact O-N 3.12Å; L1560-T1562 HydrophobicContact CB-CG2 4.05Å; L1560-T1562 PolarHBondContact O-N 2.72Å; L1560-L1581 HydrophobicContact CD1-CD1 4.23Å; L1560-L1581 HydrophobicContact CD2-CD1 3.65Å; L1560-L1581 HydrophobicContact CD2-CD2 4.06Å; L1560-L1581 HydrophobicContact CG-CD1 3.96Å |
| 1561 | G | 83.9 | Confident | 84.9 | Confident | 61 Ų | 61 | 47.9 Ų | 47.9 | 63% | 0.629 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 27.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1557 S1558 | L1557-G1561 PolarHBondContact O-N 3.15Å; S1558-G1561 PolarHBondContact O-N 2.98Å |
| 1562 | T | 84.1 | Confident | 85 | Confident | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -117.6 | -0.5 | -175.7 | 57 | 0 | 0 | 0 | 0 | 113.4 | Y1152 K1156 I1555 L1557 L1560 | Y1152-T1562 HydrophobicContact CE1-CG2 3.69Å; K1156-T1562 PolarHBondContact NZ-O 3.15Å; I1555-T1562 WeakPolarHBondContact O-CB 3.25Å; I1555-T1562 PolarHBondContact O-OG1 2.88Å; L1557-T1562 PolarHBondContact N-OG1 2.66Å; L1557-T1562 PolarHBondContact O-N 2.82Å; L1557-T1562 VanDerWaalsContact O-N 3.09Å; L1557-T1562 PolarHBondContact O-OG1 2.86Å; L1560-T1562 HydrophobicContact CB-CG2 4.05Å; L1560-T1562 PolarHBondContact O-N 2.72Å |
| 1563 | W | 80.1 | Confident | 85 | Confident | 102 Ų | 102 | 46 Ų | 46 | 39% | 0.386 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -138.2 | 162.9 | 166.5 | -160.5 | -112.2 | 0 | 0 | 0 | 109 | C1556 L1557 A1599 | C1556-W1563 HydrophobicContact CB-CD2 4.46Å; C1556-W1563 HydrophobicContact CB-CE3 3.82Å; C1556-W1563 HydrophobicContact CB-CZ3 4.43Å; L1557-W1563 PolarHBondContact O-N 3.34Å; W1563-A1599 HydrophobicContact CH2-CB 4.07Å; W1563-A1599 HydrophobicContact CZ2-CB 4.1Å |
| 1564 | N | 75.4 | Confident | 84.8 | Confident | 148 Ų | 148 | 54.1 Ų | 54.1 | 79% | 0.791 | 32% | 0.315 | S | S | * | . | trans | -70.1 | 147.9 | 171.6 | -68.5 | -3.9 | 0 | 0 | 0 | 109.7 | ||||
| 1565 | G | 74.5 | Confident | 84.6 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | trans | -170.2 | 157.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1569 N1570 | G1565-E1569 VanDerWaalsContact CA-OE2 3.22Å; G1565-E1569 WeakPolarHBondContact CA-OE2 3.49Å; G1565-N1570 PolarHBondContact O-ND2 3.41Å; G1565-N1570 PolarHBondContact O-OD1 2.82Å | ||
| 1566 | H | 75.2 | Confident | 84.6 | Confident | 160 Ų | 160 | 56.9 Ų | 56.9 | 74% | 0.741 | 33% | 0.332 | S | S | * | . | trans | -109.5 | 134 | -173.1 | -63.5 | -80.6 | 0 | 0 | 0 | 111.9 | S1568 E1569 | H1566-S1568 PolarHBondContact O-N 2.89Å; H1566-E1569 PolarHBondContact N-OE2 3.11Å; H1566-E1569 WeakPolarHBondContact O-CG 3.43Å; H1566-E1569 PolarHBondContact O-N 3.22Å; H1566-E1569 VanDerWaalsContact O-N 3.14Å | ||
| 1567 | G | 74.7 | Confident | 84.7 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | 51.4 | -109 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1569 N1570 | G1567-E1569 PolarHBondContact O-N 3.41Å; G1567-N1570 PolarHBondContact O-N 2.93Å |
| 1568 | S | 75.6 | Confident | 84.9 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -68.3 | -11.7 | -175.9 | 50.7 | 0 | 0 | 0 | 0 | 115.6 | H1566 N1570 | H1566-S1568 PolarHBondContact O-N 2.89Å; S1568-N1570 VanDerWaalsContact C-N 3.33Å |
| 1569 | E | 81.3 | Confident | 85.2 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -74.9 | -26.1 | 177.7 | -61.9 | 180 | 147.8 | 0 | 0 | 112.6 | S1558 L1559 G1565 H1566 G1567 | S1558-E1569 CarbonylContact C-O 3.58Å; L1559-E1569 VanDerWaalsContact CA-O 3.31Å; L1559-E1569 WeakPolarHBondContact CA-O 3.35Å; L1559-E1569 PolarHBondContact N-O 3.07Å; L1559-E1569 VanDerWaalsContact N-O 3.11Å; G1565-E1569 VanDerWaalsContact CA-OE2 3.22Å; G1565-E1569 WeakPolarHBondContact CA-OE2 3.49Å; H1566-E1569 PolarHBondContact N-OE2 3.11Å; H1566-E1569 WeakPolarHBondContact O-CG 3.43Å; H1566-E1569 PolarHBondContact O-N 3.22Å; H1566-E1569 VanDerWaalsContact O-N 3.14Å; G1567-E1569 PolarHBondContact O-N 3.41Å |
| 1570 | N | 86.7 | Confident | 85.4 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 32% | 0.316 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -83.5 | 158.4 | 179.3 | -63 | -36.3 | 0 | 0 | 0 | 111.4 | G1565 G1567 S1568 S1572 | G1565-N1570 PolarHBondContact O-ND2 3.41Å; G1565-N1570 PolarHBondContact O-OD1 2.82Å; G1567-N1570 PolarHBondContact O-N 2.93Å; S1568-N1570 VanDerWaalsContact C-N 3.33Å; N1570-S1572 PolarHBondContact O-N 3.47Å |
| 1571 | W | 91.8 | Very high | 85.6 | Confident | 34 Ų | 34 | 59 Ų | 59 | 13% | 0.129 | 34% | 0.34 | C | S | . | . | trans | -63.8 | 121.8 | -179.9 | -173.5 | -88.3 | 0 | 0 | 0 | 112.8 | Y1528 P1529 P1532 P1533 L1559 S1576 | Y1528-W1571 HydrophobicContact CD2-CZ2 4.21Å; Y1528-W1571 AromaticContact CE2-CH2 3.68Å; Y1528-W1571 HydrophobicContact CE2-CH2 3.68Å; Y1528-W1571 AromaticContact CE2-CZ2 3.37Å; Y1528-W1571 HydrophobicContact CE2-CZ2 3.37Å; Y1528-W1571 AromaticContact CZ-CZ2 3.96Å; P1529-W1571 PolarHBondContact O-NE1 3.2Å; P1532-W1571 HydrophobicContact CB-CB 3.89Å; P1532-W1571 HydrophobicContact CB-CD2 3.84Å; P1532-W1571 HydrophobicContact CB-CE3 4.18Å; P1532-W1571 HydrophobicContact CB-CG 3.66Å; P1532-W1571 HydrophobicContact CG-CB 4.32Å; P1532-W1571 HydrophobicContact CG-CG 4.37Å; P1533-W1571 HydrophobicContact CG-CH2 4.06Å; P1533-W1571 HydrophobicContact CG-CZ3 4.13Å; L1559-W1571 HydrophobicContact CD1-CE3 3.86Å; L1559-W1571 HydrophobicContact CD1-CZ3 4.45Å; L1559-W1571 HydrophobicContact CG-CE3 4.14Å; W1571-S1576 VanDerWaalsContact CE3-CB 3.47Å | ||
| 1572 | S | 89.9 | Confident | 86 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 32% | 0.315 | 31% | 0.31 | S | S | . | . | trans | -117.1 | 129.9 | 173.4 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | N1570 E1574 T1575 S1576 | N1570-S1572 PolarHBondContact O-N 3.47Å; S1572-E1574 PolarHBondContact O-N 3.34Å; S1572-E1574 VanDerWaalsContact O-N 3.09Å; S1572-E1574 PolarHBondContact OG-N 3.05Å; S1572-T1575 WeakPolarHBondContact CB-OG1 3.15Å; S1572-T1575 PolarHBondContact O-N 3.14Å; S1572-S1576 PolarHBondContact N-OG 3.4Å; S1572-S1576 WeakPolarHBondContact O-CB 3.33Å; S1572-S1576 PolarHBondContact O-N 3.25Å; S1572-S1576 PolarHBondContact O-OG 3.03Å | ||
| 1573 | A | 88.6 | Confident | 86.4 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -18.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1529 | P1529-A1573 HydrophobicContact CG-CB 4.34Å; P1529-A1573 WeakPolarHBondContact O-CA 3.39Å; P1529-A1573 WeakPolarHBondContact O-CB 3.5Å |
| 1574 | E | 86 | Confident | 87 | Confident | 171 Ų | 171 | 55.2 Ų | 55.2 | 80% | 0.799 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -40.3 | -176.7 | -56.3 | -165.1 | 151.6 | 0 | 0 | 112.4 | R1476 S1572 | R1476-E1574 PolarHBondContact NH1-O 3.46Å; S1572-E1574 PolarHBondContact O-N 3.34Å; S1572-E1574 VanDerWaalsContact O-N 3.09Å; S1572-E1574 PolarHBondContact OG-N 3.05Å |
| 1575 | T | 87.6 | Confident | 87.9 | Confident | 62 Ų | 62 | 48.2 Ų | 48.2 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -42.8 | -174.4 | 54.5 | 0 | 0 | 0 | 0 | 113.3 | R1476 S1572 N1577 | R1476-T1575 PolarHBondContact NH1-O 3.42Å; S1572-T1575 WeakPolarHBondContact CB-OG1 3.15Å; S1572-T1575 PolarHBondContact O-N 3.14Å; T1575-N1577 PolarHBondContact O-ND2 2.85Å |
| 1576 | S | 92.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | trans | -65.5 | 146.6 | -173.4 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | R1476 W1571 S1572 | R1476-S1576 PolarHBondContact NH1-O 3.46Å; R1476-S1576 PolarHBondContact NH2-O 2.82Å; W1571-S1576 VanDerWaalsContact CE3-CB 3.47Å; S1572-S1576 PolarHBondContact N-OG 3.4Å; S1572-S1576 WeakPolarHBondContact O-CB 3.33Å; S1572-S1576 PolarHBondContact O-N 3.25Å; S1572-S1576 PolarHBondContact O-OG 3.03Å | ||
| 1577 | N | 93.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.064 | 26% | 0.264 | C | S | . | . | trans | -157.7 | 163.8 | -173.8 | 58.7 | 82 | 0 | 0 | 0 | 112.3 | D1477 L1480 T1575 L1579 Q1580 L1581 | D1477-N1577 WeakPolarHBondContact OD1-CB 3.44Å; L1480-N1577 HydrophobicContact CD1-CB 4.07Å; T1575-N1577 PolarHBondContact O-ND2 2.85Å; N1577-L1579 VanDerWaalsContact C-N 3.29Å; N1577-L1579 PolarHBondContact O-N 2.86Å; N1577-L1579 WeakPolarHBondContact OD1-CB 3.18Å; N1577-L1579 PolarHBondContact OD1-N 2.87Å; N1577-Q1580 PolarHBondContact ND2-OE1 3.4Å; N1577-Q1580 VanDerWaalsContact ND2-OE1 3.17Å; N1577-Q1580 PolarHBondContact O-N 3.31Å; N1577-Q1580 PolarHBondContact OD1-N 2.9Å; N1577-L1581 PolarHBondContact O-N 3.41Å; N1577-L1581 VanDerWaalsContact O-N 3.09Å | ||
| 1578 | L | 94.5 | Very high | 90.2 | Very high | 9 Ų | 9 | 45.5 Ų | 45.5 | 5% | 0.047 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -28.3 | -177.3 | -58.1 | -176.6 | 0 | 0 | 0 | 114.1 | D1477 L1481 Y1501 L1524 Y1528 P1533 L1581 A1582 | D1477-L1578 HydrophobicContact CB-CB 4.5Å; D1477-L1578 HydrophobicContact CB-CD1 4.31Å; D1477-L1578 HydrophobicContact CB-CG 4.25Å; L1481-L1578 HydrophobicContact CD1-CB 4.14Å; L1481-L1578 HydrophobicContact CD1-CD1 4.33Å; Y1501-L1578 HydrophobicContact CD2-CD1 4.42Å; Y1501-L1578 HydrophobicContact CE2-CD1 4.48Å; L1524-L1578 HydrophobicContact CD1-CD1 4.3Å; L1524-L1578 HydrophobicContact CD2-CD1 4.32Å; L1524-L1578 HydrophobicContact CD2-CD2 3.86Å; Y1528-L1578 HydrophobicContact CE2-CD2 4.33Å; P1533-L1578 HydrophobicContact CB-CD2 4.35Å; P1533-L1578 HydrophobicContact CG-CD2 3.54Å; L1578-L1581 PolarHBondContact O-N 3.37Å; L1578-A1582 PolarHBondContact O-N 3.5Å |
| 1579 | L | 93.9 | Very high | 91 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.3 | -45 | 174.9 | 174.4 | 66.9 | 0 | 0 | 0 | 110.8 | L1480 L1481 I1484 L1485 N1577 L1581 A1582 I1583 | L1480-L1579 HydrophobicContact CB-CB 4.21Å; L1480-L1579 HydrophobicContact CB-CD2 4.02Å; L1481-L1579 HydrophobicContact CD2-CB 4.14Å; L1481-L1579 HydrophobicContact CD2-CD1 4.47Å; I1484-L1579 HydrophobicContact CB-CD2 3.88Å; I1484-L1579 HydrophobicContact CG1-CD2 4.4Å; L1485-L1579 HydrophobicContact CB-CD1 4.43Å; L1485-L1579 HydrophobicContact CD1-CD1 3.81Å; N1577-L1579 VanDerWaalsContact C-N 3.29Å; N1577-L1579 PolarHBondContact O-N 2.86Å; N1577-L1579 WeakPolarHBondContact OD1-CB 3.18Å; N1577-L1579 PolarHBondContact OD1-N 2.87Å; L1579-L1581 VanDerWaalsContact C-N 3.31Å; L1579-L1581 PolarHBondContact O-N 3.47Å; L1579-A1582 PolarHBondContact O-N 3.03Å; L1579-I1583 HydrophobicContact CD1-CD1 3.84Å; L1579-I1583 HydrophobicContact CD1-CG1 4.28Å; L1579-I1583 HydrophobicContact CG-CD1 3.86Å; L1579-I1583 WeakPolarHBondContact O-CB 3.44Å; L1579-I1583 VanDerWaalsContact O-CG1 3.3Å; L1579-I1583 WeakPolarHBondContact O-CG1 3.36Å; L1579-I1583 PolarHBondContact O-N 3.47Å |
| 1580 | Q | 92.7 | Very high | 91.7 | Very high | 69 Ų | 69 | 38 Ų | 38 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.9 | -39.9 | 172.6 | -80.8 | 175.8 | -15.6 | 0 | 0 | 112.3 | L1559 N1577 I1583 S1584 | L1559-Q1580 HydrophobicContact CD2-CB 4.38Å; N1577-Q1580 PolarHBondContact ND2-OE1 3.4Å; N1577-Q1580 VanDerWaalsContact ND2-OE1 3.17Å; N1577-Q1580 PolarHBondContact O-N 3.31Å; N1577-Q1580 PolarHBondContact OD1-N 2.9Å; Q1580-I1583 PolarHBondContact O-N 3.16Å; Q1580-S1584 VanDerWaalsContact O-CB 3.28Å; Q1580-S1584 WeakPolarHBondContact O-CB 3.22Å; Q1580-S1584 PolarHBondContact O-N 3.04Å; Q1580-S1584 PolarHBondContact O-OG 3.3Å |
| 1581 | L | 93.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.7 | -49.9 | 175.1 | 173.8 | 58.6 | 0 | 0 | 0 | 111.8 | P1533 V1535 L1557 L1559 L1560 N1577 L1578 L1579 I1583 S1584 I1585 | P1533-L1581 HydrophobicContact CB-CD2 4.09Å; P1533-L1581 HydrophobicContact CG-CD2 3.91Å; V1535-L1581 HydrophobicContact CG2-CD2 3.86Å; L1557-L1581 HydrophobicContact CD2-CD1 3.97Å; L1559-L1581 HydrophobicContact CD2-CB 4.44Å; L1560-L1581 HydrophobicContact CD1-CD1 4.23Å; L1560-L1581 HydrophobicContact CD2-CD1 3.65Å; L1560-L1581 HydrophobicContact CD2-CD2 4.06Å; L1560-L1581 HydrophobicContact CG-CD1 3.96Å; N1577-L1581 PolarHBondContact O-N 3.41Å; N1577-L1581 VanDerWaalsContact O-N 3.09Å; L1578-L1581 PolarHBondContact O-N 3.37Å; L1579-L1581 VanDerWaalsContact C-N 3.31Å; L1579-L1581 PolarHBondContact O-N 3.47Å; L1581-I1583 VanDerWaalsContact C-N 3.35Å; L1581-I1583 PolarHBondContact O-N 3.35Å; L1581-S1584 PolarHBondContact O-N 2.86Å; L1581-I1585 HydrophobicContact CD1-CD1 4.04Å; L1581-I1585 HydrophobicContact CD1-CG1 4.34Å; L1581-I1585 HydrophobicContact CG-CD1 4.32Å; L1581-I1585 WeakPolarHBondContact O-CG1 3.28Å; L1581-I1585 PolarHBondContact O-N 2.98Å |
| 1582 | A | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1489 I1503 L1578 L1579 Q1586 | I1489-A1582 HydrophobicContact CD1-CB 4.16Å; I1489-A1582 HydrophobicContact CG2-CB 4.45Å; I1503-A1582 HydrophobicContact CD1-CB 4.37Å; L1578-A1582 PolarHBondContact O-N 3.5Å; L1579-A1582 PolarHBondContact O-N 3.03Å; A1582-Q1586 PolarHBondContact O-N 3.13Å |
| 1583 | I | 92.1 | Very high | 92.4 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 34% | 0.344 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.9 | -41 | 175.6 | -68.7 | 170.4 | 0 | 0 | 0 | 111.2 | P1486 L1579 Q1580 L1581 I1585 Q1586 A1587 | P1486-I1583 HydrophobicContact CG-CD1 4.39Å; P1486-I1583 HydrophobicContact CG-CG1 4.02Å; L1579-I1583 HydrophobicContact CD1-CD1 3.84Å; L1579-I1583 HydrophobicContact CD1-CG1 4.28Å; L1579-I1583 HydrophobicContact CG-CD1 3.86Å; L1579-I1583 WeakPolarHBondContact O-CB 3.44Å; L1579-I1583 VanDerWaalsContact O-CG1 3.3Å; L1579-I1583 WeakPolarHBondContact O-CG1 3.36Å; L1579-I1583 PolarHBondContact O-N 3.47Å; Q1580-I1583 PolarHBondContact O-N 3.16Å; L1581-I1583 VanDerWaalsContact C-N 3.35Å; L1581-I1583 PolarHBondContact O-N 3.35Å; I1583-I1585 PolarHBondContact O-N 3.39Å; I1583-Q1586 PolarHBondContact O-N 3.46Å; I1583-A1587 VanDerWaalsContact O-CB 3.25Å; I1583-A1587 WeakPolarHBondContact O-CB 3.32Å; I1583-A1587 PolarHBondContact O-N 3.21Å |
| 1584 | S | 92.9 | Very high | 92.7 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | -179.9 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | Q1580 L1581 A1587 L1588 | Q1580-S1584 VanDerWaalsContact O-CB 3.28Å; Q1580-S1584 WeakPolarHBondContact O-CB 3.22Å; Q1580-S1584 PolarHBondContact O-N 3.04Å; Q1580-S1584 PolarHBondContact O-OG 3.3Å; L1581-S1584 PolarHBondContact O-N 2.86Å; S1584-A1587 PolarHBondContact O-N 3.21Å; S1584-L1588 VanDerWaalsContact O-CB 3.31Å; S1584-L1588 WeakPolarHBondContact O-CB 3.49Å; S1584-L1588 PolarHBondContact O-N 2.9Å |
| 1585 | I | 94.4 | Very high | 93 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -63.1 | -45.1 | 172.6 | -64.4 | 167.7 | 0 | 0 | 0 | 110.3 | I1505 F1520 L1557 L1581 I1583 I1589 L1590 | I1505-I1585 HydrophobicContact CD1-CB 4Å; I1505-I1585 HydrophobicContact CD1-CG2 3.7Å; F1520-I1585 HydrophobicContact CE1-CG2 4.09Å; F1520-I1585 HydrophobicContact CE2-CG2 3.93Å; F1520-I1585 HydrophobicContact CZ-CG2 3.57Å; L1557-I1585 HydrophobicContact CD2-CG1 4.48Å; L1581-I1585 HydrophobicContact CD1-CD1 4.04Å; L1581-I1585 HydrophobicContact CD1-CG1 4.34Å; L1581-I1585 HydrophobicContact CG-CD1 4.32Å; L1581-I1585 WeakPolarHBondContact O-CG1 3.28Å; L1581-I1585 PolarHBondContact O-N 2.98Å; I1583-I1585 PolarHBondContact O-N 3.39Å; I1585-I1589 HydrophobicContact CG1-CD1 4.36Å; I1585-I1589 HydrophobicContact CG2-CD1 4.47Å; I1585-I1589 WeakPolarHBondContact O-CB 3.36Å; I1585-I1589 PolarHBondContact O-N 3.03Å; I1585-L1590 PolarHBondContact O-N 2.96Å; I1585-L1590 VanDerWaalsContact O-N 3.13Å |
| 1586 | Q | 92.2 | Very high | 93.2 | Very high | 29 Ų | 29 | 25.1 Ų | 25.1 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -68.1 | -35.7 | 179.2 | -166 | 178.3 | 45.9 | 0 | 0 | 113.2 | I1489 I1505 I1506 A1582 I1583 | I1489-Q1586 HydrophobicContact CD1-CB 4.34Å; I1505-Q1586 HydrophobicContact CG2-CB 4.19Å; I1505-Q1586 HydrophobicContact CG2-CG 3.99Å; I1506-Q1586 PolarHBondContact O-NE2 2.98Å; A1582-Q1586 PolarHBondContact O-N 3.13Å; I1583-Q1586 PolarHBondContact O-N 3.46Å |
| 1587 | A | 89.3 | Confident | 93.2 | Very high | 60 Ų | 60 | 26.4 Ų | 26.4 | 50% | 0.496 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -91.4 | -39.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | I1583 S1584 | I1583-A1587 VanDerWaalsContact O-CB 3.25Å; I1583-A1587 WeakPolarHBondContact O-CB 3.32Å; I1583-A1587 PolarHBondContact O-N 3.21Å; S1584-A1587 PolarHBondContact O-N 3.21Å |
| 1588 | L | 90.7 | Very high | 92.8 | Very high | 97 Ų | 97 | 28.8 Ų | 28.8 | 51% | 0.508 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -97.1 | -37.4 | -174 | -56 | 178.2 | 0 | 0 | 0 | 112.3 | L1557 S1584 N1591 N1597 | L1557-L1588 HydrophobicContact CD1-CD1 4.21Å; S1584-L1588 VanDerWaalsContact O-CB 3.31Å; S1584-L1588 WeakPolarHBondContact O-CB 3.49Å; S1584-L1588 PolarHBondContact O-N 2.9Å; L1588-N1591 PolarHBondContact O-ND2 3.32Å; L1588-N1597 PolarHBondContact O-ND2 3.28Å |
| 1589 | I | 93.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -87.4 | -55.1 | -179.9 | -56.5 | -178.5 | 0 | 0 | 0 | 110.2 | N1546 N1548 L1549 I1555 I1585 N1591 | N1546-I1589 HydrophobicContact CB-CG2 4.18Å; N1546-I1589 PolarHBondContact ND2-O 2.63Å; N1548-I1589 HydrophobicContact CB-CD1 4.5Å; L1549-I1589 HydrophobicContact CD1-CG2 3.75Å; L1549-I1589 HydrophobicContact CD2-CD1 4.39Å; L1549-I1589 HydrophobicContact CD2-CG2 4.04Å; L1549-I1589 HydrophobicContact CG-CG2 3.61Å; I1555-I1589 HydrophobicContact CG2-CD1 3.7Å; I1585-I1589 HydrophobicContact CG1-CD1 4.36Å; I1585-I1589 HydrophobicContact CG2-CD1 4.47Å; I1585-I1589 WeakPolarHBondContact O-CB 3.36Å; I1585-I1589 PolarHBondContact O-N 3.03Å; I1589-N1591 PolarHBondContact O-N 3.27Å |
| 1590 | L | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -82.3 | 40.2 | -176.2 | -56.3 | 179.2 | 0 | 0 | 0 | 113.8 | I1505 Y1513 F1518 L1549 I1585 | I1505-L1590 HydrophobicContact CG2-CD1 3.88Å; Y1513-L1590 HydrophobicContact CD1-CD2 3.81Å; Y1513-L1590 VanDerWaalsContact CD2-C 3.45Å; Y1513-L1590 HydrophobicContact CD2-CB 3.93Å; Y1513-L1590 HydrophobicContact CD2-CD2 4.21Å; Y1513-L1590 WeakPolarHBondContact CD2-O 3.06Å; Y1513-L1590 HydrophobicContact CE1-CD2 3.95Å; Y1513-L1590 HydrophobicContact CE2-CB 4.39Å; Y1513-L1590 HydrophobicContact CE2-CD2 4.32Å; Y1513-L1590 HydrophobicContact CG-CB 4.2Å; Y1513-L1590 HydrophobicContact CG-CD2 3.95Å; F1518-L1590 HydrophobicContact CB-CD1 4.47Å; F1518-L1590 HydrophobicContact CD1-CD2 4.2Å; F1518-L1590 HydrophobicContact CD2-CD1 3.7Å; F1518-L1590 HydrophobicContact CD2-CD2 4.3Å; F1518-L1590 HydrophobicContact CE1-CD2 4.22Å; F1518-L1590 HydrophobicContact CE2-CD1 4.24Å; F1518-L1590 HydrophobicContact CE2-CD2 4.33Å; F1518-L1590 HydrophobicContact CG-CD1 4.03Å; F1518-L1590 HydrophobicContact CG-CD2 4.28Å; F1518-L1590 HydrophobicContact CZ-CD2 4.33Å; L1549-L1590 HydrophobicContact CD1-CD2 4.2Å; I1585-L1590 PolarHBondContact O-N 2.96Å; I1585-L1590 VanDerWaalsContact O-N 3.13Å |
| 1591 | N | 94.1 | Very high | 91.1 | Very high | 32 Ų | 32 | 32.1 Ų | 32.1 | 17% | 0.171 | 19% | 0.194 | C | C | . | . | trans | -82.1 | -177.9 | -174.1 | 79.1 | 55.4 | 0 | 0 | 0 | 113.7 | T1511 Y1513 L1588 I1589 E1593 N1597 | T1511-N1591 WeakPolarHBondContact CB-O 3.27Å; Y1513-N1591 WeakPolarHBondContact CE2-O 3.21Å; L1588-N1591 PolarHBondContact O-ND2 3.32Å; I1589-N1591 PolarHBondContact O-N 3.27Å; N1591-E1593 PolarHBondContact OD1-N 3.39Å; N1591-N1597 PolarHBondContact ND2-ND2 3.29Å; N1591-N1597 PolarHBondContact ND2-OD1 3.09Å | ||
| 1592 | S | 94.7 | Very high | 90.6 | Very high | 44 Ų | 44 | 36.4 Ų | 36.4 | 31% | 0.308 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -76.8 | -24.1 | -175.4 | 49.5 | 0 | 0 | 0 | 0 | 116.1 | N1618 F1694 | S1592-N1618 PolarHBondContact O-ND2 3Å; S1592-F1694 WeakPolarHBondContact O-CB 3.23Å |
| 1593 | E | 94.1 | Very high | 90 | Very high | 37 Ų | 37 | 43.7 Ų | 43.7 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | trans | -137.2 | 63.8 | -177.9 | -67.2 | -170.7 | 87.9 | 0 | 0 | 110.9 | N1591 Y1595 F1596 R1605 S1614 P1695 | N1591-E1593 PolarHBondContact OD1-N 3.39Å; E1593-Y1595 PolarHBondContact O-N 3.42Å; E1593-F1596 HydrophobicContact CB-CD2 3.97Å; E1593-F1596 HydrophobicContact CB-CE2 4.4Å; E1593-F1596 PolarHBondContact O-N 3.38Å; E1593-F1596 WeakPolarHBondContact OE1-CE2 3.5Å; E1593-R1605 IonicContact OE2-CZ 2.93Å; E1593-R1605 IonicContact OE2-NE 2.74Å; E1593-R1605 IonicContact OE2-NH2 3.67Å; E1593-R1605 PolarHBondContact OE2-NH2 3.25Å; E1593-S1614 PolarHBondContact OE1-OG 2.85Å; E1593-P1695 HydrophobicContact CG-CG 3.76Å; E1593-P1695 VanDerWaalsContact OE1-CG 3.32Å; E1593-P1695 WeakPolarHBondContact OE1-CG 3.28Å | ||
| 1594 | P | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -60.4 | -9.8 | -174.4 | 25.4 | -38.2 | 0 | 0 | 0 | 115 | P1512 Y1513 N1546 P1547 F1596 N1597 Y1617 N1618 V1621 | P1512-P1594 HydrophobicContact CG-CG 4.03Å; Y1513-P1594 HydrophobicContact CE2-CB 4.12Å; Y1513-P1594 HydrophobicContact CE2-CG 3.91Å; Y1513-P1594 WeakPolarHBondContact OH-CB 3.44Å; Y1513-P1594 VanDerWaalsContact OH-CG 3.3Å; Y1513-P1594 WeakPolarHBondContact OH-CG 3.36Å; N1546-P1594 WeakPolarHBondContact ND2-CB 3.43Å; P1547-P1594 WeakPolarHBondContact CD-O 3.33Å; P1547-P1594 WeakPolarHBondContact CG-O 3.48Å; P1594-F1596 VanDerWaalsContact C-N 3.3Å; P1594-F1596 PolarHBondContact O-N 3.42Å; P1594-N1597 WeakPolarHBondContact O-CB 3.24Å; P1594-N1597 PolarHBondContact O-N 2.94Å; P1594-Y1617 HydrophobicContact CB-CE1 4.07Å; P1594-Y1617 HydrophobicContact CG-CD1 4.07Å; P1594-Y1617 HydrophobicContact CG-CE1 3.89Å; P1594-N1618 WeakPolarHBondContact CD-OD1 3.37Å; P1594-V1621 HydrophobicContact CG-CG2 4.28Å |
| 1595 | Y | 92.8 | Very high | 89.2 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -60.4 | -37.4 | 173.1 | -179.8 | -115.5 | 0 | 0 | 0 | 112.8 | E1593 N1597 E1598 Y1601 Y1610 Q1613 Y1617 | E1593-Y1595 PolarHBondContact O-N 3.42Å; Y1595-N1597 PolarHBondContact O-N 3.28Å; Y1595-E1598 PolarHBondContact O-N 3.28Å; Y1595-Y1601 HydrophobicContact CD1-CD2 4.41Å; Y1595-Y1601 HydrophobicContact CD2-CD2 4.39Å; Y1595-Y1601 HydrophobicContact CD2-CE2 4.44Å; Y1595-Y1601 AromaticContact CE1-CD2 3.88Å; Y1595-Y1601 HydrophobicContact CE1-CD2 3.88Å; Y1595-Y1601 HydrophobicContact CE1-CE2 4.28Å; Y1595-Y1601 AromaticContact CE2-CD2 3.83Å; Y1595-Y1601 HydrophobicContact CE2-CD2 3.83Å; Y1595-Y1601 AromaticContact CE2-CE2 3.57Å; Y1595-Y1601 HydrophobicContact CE2-CE2 3.57Å; Y1595-Y1601 AromaticContact CZ-CD2 3.54Å; Y1595-Y1601 AromaticContact CZ-CE2 3.46Å; Y1595-Y1601 VanDerWaalsContact CZ-CE2 3.46Å; Y1595-Y1601 VanDerWaalsContact OH-CE2 3.3Å; Y1595-Y1601 WeakPolarHBondContact OH-CE2 3.41Å; Y1595-Y1610 HydrophobicContact CE1-CD1 4.07Å; Y1595-Q1613 HydrophobicContact CD1-CB 4.45Å; Y1595-Q1613 HydrophobicContact CE1-CB 3.68Å; Y1595-Q1613 HydrophobicContact CE2-CB 4.15Å; Y1595-Q1613 PolarHBondContact OH-OE1 3.18Å; Y1595-Y1617 AromaticContact CD2-CD2 3.99Å; Y1595-Y1617 HydrophobicContact CD2-CD2 3.99Å; Y1595-Y1617 AromaticContact CD2-CG 3.97Å; Y1595-Y1617 HydrophobicContact CD2-CG 3.97Å; Y1595-Y1617 HydrophobicContact CG-CG 4.4Å |
| 1596 | F | 92.5 | Very high | 88.7 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -79.9 | -0.1 | -179 | -60.2 | -68.1 | 0 | 0 | 0 | 113.8 | E1593 P1594 E1598 Y1601 E1602 R1605 | E1593-F1596 HydrophobicContact CB-CD2 3.97Å; E1593-F1596 HydrophobicContact CB-CE2 4.4Å; E1593-F1596 PolarHBondContact O-N 3.38Å; E1593-F1596 WeakPolarHBondContact OE1-CE2 3.5Å; P1594-F1596 VanDerWaalsContact C-N 3.3Å; P1594-F1596 PolarHBondContact O-N 3.42Å; F1596-E1598 PolarHBondContact O-N 2.98Å; F1596-Y1601 WeakPolarHBondContact CD1-O 3.33Å; F1596-E1602 WeakPolarHBondContact CB-OE2 3.48Å; F1596-R1605 HydrophobicContact CD1-CB 4.08Å; F1596-R1605 HydrophobicContact CD1-CG 4.36Å; F1596-R1605 HydrophobicContact CD2-CG 4.1Å; F1596-R1605 HydrophobicContact CE1-CB 3.79Å; F1596-R1605 HydrophobicContact CE1-CG 4.06Å; F1596-R1605 HydrophobicContact CE2-CB 4.42Å; F1596-R1605 HydrophobicContact CE2-CG 3.77Å; F1596-R1605 HydrophobicContact CG-CG 4.39Å; F1596-R1605 HydrophobicContact CZ-CB 3.98Å; F1596-R1605 HydrophobicContact CZ-CG 3.77Å |
| 1597 | N | 91.4 | Very high | 88.4 | Confident | 29 Ų | 29 | 55.9 Ų | 55.9 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -74.7 | -5.2 | 170.8 | -71.8 | 45.6 | 0 | 0 | 0 | 113.4 | P1547 N1548 L1588 N1591 P1594 Y1595 | P1547-N1597 HydrophobicContact CB-CB 4.18Å; P1547-N1597 HydrophobicContact CG-CB 4.01Å; N1548-N1597 PolarHBondContact ND2-O 2.69Å; N1548-N1597 WeakPolarHBondContact OD1-CB 3.22Å; N1548-N1597 PolarHBondContact OD1-ND2 3.3Å; L1588-N1597 PolarHBondContact O-ND2 3.28Å; N1591-N1597 PolarHBondContact ND2-ND2 3.29Å; N1591-N1597 PolarHBondContact ND2-OD1 3.09Å; P1594-N1597 WeakPolarHBondContact O-CB 3.24Å; P1594-N1597 PolarHBondContact O-N 2.94Å; Y1595-N1597 PolarHBondContact O-N 3.28Å |
| 1598 | E | 87.1 | Confident | 88.3 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -86.6 | 148.4 | 174.8 | -163.7 | 56.4 | -83.4 | 0 | 0 | 111.2 | K1544 P1547 Y1595 F1596 G1600 Y1601 | K1544-E1598 IonicContact NZ-OE2 3.39Å; P1547-E1598 HydrophobicContact CB-CB 3.93Å; P1547-E1598 HydrophobicContact CB-CG 4.49Å; P1547-E1598 HydrophobicContact CG-CB 4Å; Y1595-E1598 PolarHBondContact O-N 3.28Å; F1596-E1598 PolarHBondContact O-N 2.98Å; E1598-G1600 PolarHBondContact O-N 3.33Å; E1598-Y1601 HydrophobicContact CB-CD2 4.06Å; E1598-Y1601 HydrophobicContact CB-CE2 4.35Å; E1598-Y1601 HydrophobicContact CB-CG 4.4Å; E1598-Y1601 HydrophobicContact CG-CE2 4.49Å; E1598-Y1601 PolarHBondContact O-N 3.39Å |
| 1599 | A | 82 | Confident | 88 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 50% | 0.496 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 132.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1563 Y1601 | W1563-A1599 HydrophobicContact CH2-CB 4.07Å; W1563-A1599 HydrophobicContact CZ2-CB 4.1Å; A1599-Y1601 PolarHBondContact O-N 3.01Å |
| 1600 | G | 79.6 | Confident | 87.5 | Confident | 46 Ų | 46 | 59.8 Ų | 59.8 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 4.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116 | E1598 | E1598-G1600 PolarHBondContact O-N 3.33Š|
| 1601 | Y | 83.8 | Confident | 87.2 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | trans | -87.4 | -27.1 | -178.7 | -77.9 | 16.8 | 0 | 0 | 0 | 113.4 | Y1595 F1596 E1598 A1599 E1603 R1604 R1605 Y1610 | Y1595-Y1601 HydrophobicContact CD1-CD2 4.41Å; Y1595-Y1601 HydrophobicContact CD2-CD2 4.39Å; Y1595-Y1601 HydrophobicContact CD2-CE2 4.44Å; Y1595-Y1601 AromaticContact CE1-CD2 3.88Å; Y1595-Y1601 HydrophobicContact CE1-CD2 3.88Å; Y1595-Y1601 HydrophobicContact CE1-CE2 4.28Å; Y1595-Y1601 AromaticContact CE2-CD2 3.83Å; Y1595-Y1601 HydrophobicContact CE2-CD2 3.83Å; Y1595-Y1601 AromaticContact CE2-CE2 3.57Å; Y1595-Y1601 HydrophobicContact CE2-CE2 3.57Å; Y1595-Y1601 AromaticContact CZ-CD2 3.54Å; Y1595-Y1601 AromaticContact CZ-CE2 3.46Å; Y1595-Y1601 VanDerWaalsContact CZ-CE2 3.46Å; Y1595-Y1601 VanDerWaalsContact OH-CE2 3.3Å; Y1595-Y1601 WeakPolarHBondContact OH-CE2 3.41Å; F1596-Y1601 WeakPolarHBondContact CD1-O 3.33Å; E1598-Y1601 HydrophobicContact CB-CD2 4.06Å; E1598-Y1601 HydrophobicContact CB-CE2 4.35Å; E1598-Y1601 HydrophobicContact CB-CG 4.4Å; E1598-Y1601 HydrophobicContact CG-CE2 4.49Å; E1598-Y1601 PolarHBondContact O-N 3.39Å; A1599-Y1601 PolarHBondContact O-N 3.01Å; Y1601-E1603 PolarHBondContact O-N 3.21Å; Y1601-R1604 PolarHBondContact O-N 2.83Å; Y1601-R1605 PolarHBondContact O-N 3.4Å; Y1601-Y1610 HydrophobicContact CD1-CE1 4.47Å | ||
| 1602 | E | 82.3 | Confident | 87 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 44% | 0.435 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -57.7 | -42 | -177.1 | -173.3 | 64 | -130.9 | 0 | 0 | 113 | F1596 R1604 R1605 | F1596-E1602 WeakPolarHBondContact CB-OE2 3.48Å; E1602-R1604 PolarHBondContact O-N 3.43Å; E1602-R1604 VanDerWaalsContact O-N 3.17Å; E1602-R1605 WeakPolarHBondContact O-CB 3.41Å; E1602-R1605 PolarHBondContact O-N 3.02Å; E1602-R1605 VanDerWaalsContact O-N 3.14Å; E1602-R1605 WeakPolarHBondContact OE1-CD 3.3Å; E1602-R1605 IonicContact OE1-CZ 2.71Å; E1602-R1605 IonicContact OE1-NE 2.81Å; E1602-R1605 IonicContact OE1-NH1 2.69Å; E1602-R1605 PolarHBondContact OE1-NH1 3.05Å; E1602-R1605 IonicContact OE2-NH1 3.86Å; E1602-R1605 PolarHBondContact OE2-NH1 3.47Å |
| 1603 | E | 80.7 | Confident | 86.7 | Confident | 153 Ų | 153 | 67.8 Ų | 67.8 | 72% | 0.715 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -57 | -31.9 | 176 | -68.6 | 163.1 | -146.5 | 0 | 0 | 112.9 | Y1601 | Y1601-E1603 PolarHBondContact O-N 3.21Š|
| 1604 | R | 82 | Confident | 86.6 | Confident | 127 Ų | 127 | 66 Ų | 66 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -91.4 | 2.2 | -174.7 | -53.4 | -175 | -171.1 | -168.7 | 2.2 | 112.7 | Y1601 E1602 T1606 D1607 Y1610 | Y1601-R1604 PolarHBondContact O-N 2.83Å; E1602-R1604 PolarHBondContact O-N 3.43Å; E1602-R1604 VanDerWaalsContact O-N 3.17Å; R1604-T1606 PolarHBondContact O-N 3.36Å; R1604-D1607 WeakPolarHBondContact O-CB 3.44Å; R1604-D1607 PolarHBondContact O-N 2.91Å; R1604-Y1610 HydrophobicContact CB-CD1 3.91Å; R1604-Y1610 HydrophobicContact CB-CD2 3.8Å; R1604-Y1610 HydrophobicContact CB-CE1 4.07Å; R1604-Y1610 HydrophobicContact CB-CE2 3.95Å; R1604-Y1610 HydrophobicContact CB-CG 3.78Å; R1604-Y1610 WeakPolarHBondContact CD-OH 3.3Å; R1604-Y1610 HydrophobicContact CG-CE2 4.41Å; R1604-Y1610 PolarHBondContact NH1-OH 3.01Å; R1604-Y1610 WeakPolarHBondContact O-CB 3.1Å |
| 1605 | R | 85.9 | Confident | 86.5 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 26% | 0.26 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -56.5 | -20.1 | 178.6 | -172.8 | 172.2 | -156.5 | 140.4 | 8.5 | 115 | E1593 F1596 Y1601 E1602 Q1611 | E1593-R1605 IonicContact OE2-CZ 2.93Å; E1593-R1605 IonicContact OE2-NE 2.74Å; E1593-R1605 IonicContact OE2-NH2 3.67Å; E1593-R1605 PolarHBondContact OE2-NH2 3.25Å; F1596-R1605 HydrophobicContact CD1-CB 4.08Å; F1596-R1605 HydrophobicContact CD1-CG 4.36Å; F1596-R1605 HydrophobicContact CD2-CG 4.1Å; F1596-R1605 HydrophobicContact CE1-CB 3.79Å; F1596-R1605 HydrophobicContact CE1-CG 4.06Å; F1596-R1605 HydrophobicContact CE2-CB 4.42Å; F1596-R1605 HydrophobicContact CE2-CG 3.77Å; F1596-R1605 HydrophobicContact CG-CG 4.39Å; F1596-R1605 HydrophobicContact CZ-CB 3.98Å; F1596-R1605 HydrophobicContact CZ-CG 3.77Å; Y1601-R1605 PolarHBondContact O-N 3.4Å; E1602-R1605 WeakPolarHBondContact O-CB 3.41Å; E1602-R1605 PolarHBondContact O-N 3.02Å; E1602-R1605 VanDerWaalsContact O-N 3.14Å; E1602-R1605 WeakPolarHBondContact OE1-CD 3.3Å; E1602-R1605 IonicContact OE1-CZ 2.71Å; E1602-R1605 IonicContact OE1-NE 2.81Å; E1602-R1605 IonicContact OE1-NH1 2.69Å; E1602-R1605 PolarHBondContact OE1-NH1 3.05Å; E1602-R1605 IonicContact OE2-NH1 3.86Å; E1602-R1605 PolarHBondContact OE2-NH1 3.47Å; R1605-Q1611 WeakPolarHBondContact O-CG 3.43Å; R1605-Q1611 PolarHBondContact O-NE2 3.2Å |
| 1606 | T | 84.9 | Confident | 86.5 | Confident | 122 Ų | 122 | 68 Ų | 68 | 75% | 0.748 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -83.4 | -15 | 175.4 | 58.1 | 0 | 0 | 0 | 0 | 114 | R1604 Q1611 | R1604-T1606 PolarHBondContact O-N 3.36Å; T1606-Q1611 PolarHBondContact O-NE2 2.84Å |
| 1607 | D | 85.2 | Confident | 86.4 | Confident | 59 Ų | 59 | 70 Ų | 70 | 32% | 0.316 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -79 | 128.7 | 179.3 | -173.3 | -40.5 | 0 | 0 | 0 | 110.9 | R1604 I1609 Y1610 Q1611 | R1604-D1607 WeakPolarHBondContact O-CB 3.44Å; R1604-D1607 PolarHBondContact O-N 2.91Å; D1607-I1609 PolarHBondContact O-N 3.24Å; D1607-I1609 VanDerWaalsContact OD1-CB 3.3Å; D1607-I1609 WeakPolarHBondContact OD1-CB 3Å; D1607-I1609 WeakPolarHBondContact OD1-CG1 3.3Å; D1607-I1609 PolarHBondContact OD1-N 3.05Å; D1607-Y1610 HydrophobicContact CB-CD2 3.87Å; D1607-Y1610 PolarHBondContact O-N 2.95Å; D1607-Y1610 VanDerWaalsContact O-N 3.15Å; D1607-Q1611 WeakPolarHBondContact O-CG 3.2Å; D1607-Q1611 PolarHBondContact O-N 3.45Å |
| 1608 | P | 86.8 | Confident | 86.6 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 60% | 0.604 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.6 | -23.6 | 179.3 | 25.6 | -35.7 | 0 | 0 | 0 | 114.6 | E1612 | P1608-E1612 PolarHBondContact O-N 3.02Å; P1608-E1612 VanDerWaalsContact O-N 3.1Å |
| 1609 | I | 84.6 | Confident | 87 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 54% | 0.544 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67 | -49.6 | 174.3 | -60.5 | 173.7 | 0 | 0 | 0 | 109.6 | D1607 Q1611 E1612 Q1613 | D1607-I1609 PolarHBondContact O-N 3.24Å; D1607-I1609 VanDerWaalsContact OD1-CB 3.3Å; D1607-I1609 WeakPolarHBondContact OD1-CB 3Å; D1607-I1609 WeakPolarHBondContact OD1-CG1 3.3Å; D1607-I1609 PolarHBondContact OD1-N 3.05Å; I1609-Q1611 VanDerWaalsContact C-N 3.32Å; I1609-Q1611 PolarHBondContact O-N 3.32Å; I1609-E1612 PolarHBondContact O-N 3.01Å; I1609-Q1613 WeakPolarHBondContact O-CG 3.5Å; I1609-Q1613 PolarHBondContact O-N 3.48Å |
| 1610 | Y | 84.1 | Confident | 87.5 | Confident | 40 Ų | 40 | 63.8 Ų | 63.8 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.7 | -29.1 | 179.7 | -74.3 | -95.2 | 0 | 0 | 0 | 112.2 | Y1595 Y1601 R1604 D1607 Q1613 S1614 | Y1595-Y1610 HydrophobicContact CE1-CD1 4.07Å; Y1601-Y1610 HydrophobicContact CD1-CE1 4.47Å; R1604-Y1610 HydrophobicContact CB-CD1 3.91Å; R1604-Y1610 HydrophobicContact CB-CD2 3.8Å; R1604-Y1610 HydrophobicContact CB-CE1 4.07Å; R1604-Y1610 HydrophobicContact CB-CE2 3.95Å; R1604-Y1610 HydrophobicContact CB-CG 3.78Å; R1604-Y1610 WeakPolarHBondContact CD-OH 3.3Å; R1604-Y1610 HydrophobicContact CG-CE2 4.41Å; R1604-Y1610 PolarHBondContact NH1-OH 3.01Å; R1604-Y1610 WeakPolarHBondContact O-CB 3.1Å; D1607-Y1610 HydrophobicContact CB-CD2 3.87Å; D1607-Y1610 PolarHBondContact O-N 2.95Å; D1607-Y1610 VanDerWaalsContact O-N 3.15Å; Y1610-Q1613 PolarHBondContact O-N 3.18Å; Y1610-S1614 WeakPolarHBondContact O-CB 3.24Å; Y1610-S1614 PolarHBondContact O-N 2.7Å |
| 1611 | Q | 89.2 | Confident | 88.2 | Confident | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 171.2 | -69.9 | 171.1 | 9.6 | 0 | 0 | 112.5 | R1605 T1606 D1607 I1609 S1614 R1615 | R1605-Q1611 WeakPolarHBondContact O-CG 3.43Å; R1605-Q1611 PolarHBondContact O-NE2 3.2Å; T1606-Q1611 PolarHBondContact O-NE2 2.84Å; D1607-Q1611 WeakPolarHBondContact O-CG 3.2Å; D1607-Q1611 PolarHBondContact O-N 3.45Å; I1609-Q1611 VanDerWaalsContact C-N 3.32Å; I1609-Q1611 PolarHBondContact O-N 3.32Å; Q1611-S1614 WeakPolarHBondContact O-CB 3.23Å; Q1611-S1614 PolarHBondContact O-N 2.88Å; Q1611-R1615 PolarHBondContact O-N 2.98Å |
| 1612 | E | 87.9 | Confident | 88.7 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.7 | -35.6 | 173.8 | -179.8 | 58.7 | -165.6 | 0 | 0 | 111.3 | P1608 I1609 R1615 I1616 | P1608-E1612 PolarHBondContact O-N 3.02Å; P1608-E1612 VanDerWaalsContact O-N 3.1Å; I1609-E1612 PolarHBondContact O-N 3.01Å; E1612-R1615 VanDerWaalsContact CD-NE 3.33Å; E1612-R1615 WeakPolarHBondContact O-CB 3.37Å; E1612-R1615 PolarHBondContact O-N 3.28Å; E1612-R1615 IonicContact OE1-CZ 2.66Å; E1612-R1615 IonicContact OE1-NE 3.87Å; E1612-R1615 PolarHBondContact OE1-NE 2.87Å; E1612-R1615 IonicContact OE1-NH2 2.73Å; E1612-R1615 PolarHBondContact OE1-NH2 3.35Å; E1612-R1615 WeakPolarHBondContact OE2-CD 3.48Å; E1612-R1615 IonicContact OE2-CZ 2.62Å; E1612-R1615 IonicContact OE2-NE 3.72Å; E1612-R1615 PolarHBondContact OE2-NE 2.89Å; E1612-R1615 IonicContact OE2-NH2 3.69Å; E1612-I1616 HydrophobicContact CG-CD1 3.94Å; E1612-I1616 VanDerWaalsContact O-CG1 3.29Å; E1612-I1616 WeakPolarHBondContact O-CG1 3.45Å; E1612-I1616 PolarHBondContact O-N 3Å |
| 1613 | Q | 88.4 | Confident | 89.2 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 32% | 0.318 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 171.4 | -69.8 | 172 | -62.1 | 0 | 0 | 112.2 | Y1595 I1609 Y1610 R1615 I1616 Y1617 | Y1595-Q1613 HydrophobicContact CD1-CB 4.45Å; Y1595-Q1613 HydrophobicContact CE1-CB 3.68Å; Y1595-Q1613 HydrophobicContact CE2-CB 4.15Å; Y1595-Q1613 PolarHBondContact OH-OE1 3.18Å; I1609-Q1613 WeakPolarHBondContact O-CG 3.5Å; I1609-Q1613 PolarHBondContact O-N 3.48Å; Y1610-Q1613 PolarHBondContact O-N 3.18Å; Q1613-R1615 VanDerWaalsContact C-N 3.32Å; Q1613-R1615 PolarHBondContact O-N 3.1Å; Q1613-I1616 PolarHBondContact O-N 3.49Å; Q1613-Y1617 VanDerWaalsContact O-CB 3.27Å; Q1613-Y1617 WeakPolarHBondContact O-CB 3.13Å; Q1613-Y1617 PolarHBondContact O-N 2.87Å |
| 1614 | S | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.4 | -44.6 | 170.9 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | E1593 Y1610 Q1611 Y1617 N1618 | E1593-S1614 PolarHBondContact OE1-OG 2.85Å; Y1610-S1614 WeakPolarHBondContact O-CB 3.24Å; Y1610-S1614 PolarHBondContact O-N 2.7Å; Q1611-S1614 WeakPolarHBondContact O-CB 3.23Å; Q1611-S1614 PolarHBondContact O-N 2.88Å; S1614-Y1617 PolarHBondContact O-N 2.76Å; S1614-N1618 PolarHBondContact O-N 3.43Å |
| 1615 | R | 93.8 | Very high | 90.3 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 6% | 0.064 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.5 | -161.9 | -159.6 | 63.9 | 65.8 | 5.8 | 112.6 | Q1611 E1612 Q1613 N1618 E1619 P1695 L1696 P1698 | Q1611-R1615 PolarHBondContact O-N 2.98Å; E1612-R1615 VanDerWaalsContact CD-NE 3.33Å; E1612-R1615 WeakPolarHBondContact O-CB 3.37Å; E1612-R1615 PolarHBondContact O-N 3.28Å; E1612-R1615 IonicContact OE1-CZ 2.66Å; E1612-R1615 IonicContact OE1-NE 3.87Å; E1612-R1615 PolarHBondContact OE1-NE 2.87Å; E1612-R1615 IonicContact OE1-NH2 2.73Å; E1612-R1615 PolarHBondContact OE1-NH2 3.35Å; E1612-R1615 WeakPolarHBondContact OE2-CD 3.48Å; E1612-R1615 IonicContact OE2-CZ 2.62Å; E1612-R1615 IonicContact OE2-NE 3.72Å; E1612-R1615 PolarHBondContact OE2-NE 2.89Å; E1612-R1615 IonicContact OE2-NH2 3.69Å; Q1613-R1615 VanDerWaalsContact C-N 3.32Å; Q1613-R1615 PolarHBondContact O-N 3.1Å; R1615-N1618 PolarHBondContact O-N 2.88Å; R1615-E1619 IonicContact CZ-OE1 2.63Å; R1615-E1619 IonicContact NH1-OE1 3.36Å; R1615-E1619 PolarHBondContact NH1-OE1 2.9Å; R1615-E1619 IonicContact NH2-OE1 3.77Å; R1615-E1619 PolarHBondContact O-N 3.09Å; R1615-E1619 VanDerWaalsContact O-N 3.16Å; R1615-P1695 HydrophobicContact CB-CB 4.33Å; R1615-P1695 HydrophobicContact CG-CB 4.33Å; R1615-L1696 WeakPolarHBondContact CD-O 3.06Å; R1615-L1696 WeakPolarHBondContact CG-O 3.39Å; R1615-L1696 PolarHBondContact NH1-O 2.99Å; R1615-P1698 PolarHBondContact NH1-O 2.98Å |
| 1616 | I | 91.4 | Very high | 90.7 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | 176.8 | -67.7 | 164.8 | 0 | 0 | 0 | 111.2 | E1612 Q1613 N1618 E1619 A1620 | E1612-I1616 HydrophobicContact CG-CD1 3.94Å; E1612-I1616 VanDerWaalsContact O-CG1 3.29Å; E1612-I1616 WeakPolarHBondContact O-CG1 3.45Å; E1612-I1616 PolarHBondContact O-N 3Å; Q1613-I1616 PolarHBondContact O-N 3.49Å; I1616-N1618 VanDerWaalsContact C-N 3.34Å; I1616-E1619 WeakPolarHBondContact O-CB 3.47Å; I1616-E1619 PolarHBondContact O-N 3.26Å; I1616-A1620 PolarHBondContact O-N 3.31Å; I1616-A1620 VanDerWaalsContact O-N 3.13Å |
| 1617 | Y | 92.2 | Very high | 90.9 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 174.5 | -168.7 | -91.5 | 0 | 0 | 0 | 111 | N1546 P1547 P1594 Y1595 Q1613 S1614 E1619 A1620 V1621 | N1546-Y1617 WeakPolarHBondContact CA-OH 3.48Å; P1547-Y1617 WeakPolarHBondContact CD-OH 3.27Å; P1594-Y1617 HydrophobicContact CB-CE1 4.07Å; P1594-Y1617 HydrophobicContact CG-CD1 4.07Å; P1594-Y1617 HydrophobicContact CG-CE1 3.89Å; Y1595-Y1617 AromaticContact CD2-CD2 3.99Å; Y1595-Y1617 HydrophobicContact CD2-CD2 3.99Å; Y1595-Y1617 AromaticContact CD2-CG 3.97Å; Y1595-Y1617 HydrophobicContact CD2-CG 3.97Å; Y1595-Y1617 HydrophobicContact CG-CG 4.4Å; Q1613-Y1617 VanDerWaalsContact O-CB 3.27Å; Q1613-Y1617 WeakPolarHBondContact O-CB 3.13Å; Q1613-Y1617 PolarHBondContact O-N 2.87Å; S1614-Y1617 PolarHBondContact O-N 2.76Å; Y1617-E1619 PolarHBondContact O-N 2.99Å; Y1617-A1620 WeakPolarHBondContact O-CB 3.38Å; Y1617-A1620 PolarHBondContact O-N 2.94Å; Y1617-A1620 VanDerWaalsContact O-N 3.14Å; Y1617-V1621 HydrophobicContact CD1-CG2 3.65Å; Y1617-V1621 HydrophobicContact CE1-CG2 3.31Å; Y1617-V1621 WeakPolarHBondContact O-CG2 3.14Å; Y1617-V1621 PolarHBondContact O-N 3.04Å |
| 1618 | N | 95.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.9 | -34.4 | 174.9 | -76.8 | -17.7 | 0 | 0 | 0 | 113.4 | S1592 P1594 S1614 R1615 I1616 V1622 F1694 P1695 L1696 | S1592-N1618 PolarHBondContact O-ND2 3Å; P1594-N1618 WeakPolarHBondContact CD-OD1 3.37Å; S1614-N1618 PolarHBondContact O-N 3.43Å; R1615-N1618 PolarHBondContact O-N 2.88Å; I1616-N1618 VanDerWaalsContact C-N 3.34Å; N1618-V1622 WeakPolarHBondContact O-CG2 3.4Å; N1618-V1622 PolarHBondContact O-N 2.93Å; N1618-V1622 VanDerWaalsContact O-N 3.11Å; N1618-F1694 HydrophobicContact CB-CD2 4.13Å; N1618-F1694 HydrophobicContact CB-CE2 4.3Å; N1618-P1695 WeakPolarHBondContact CB-O 3.28Å; N1618-P1695 PolarHBondContact ND2-O 3.38Å; N1618-L1696 HydrophobicContact CB-CD1 4.42Å |
| 1619 | E | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 168.7 | -72.6 | -173 | -179.9 | 0 | 0 | 111.6 | Y880 R1615 I1616 Y1617 V1622 A1623 L1696 V1699 S1700 F1703 | Y880-E1619 HydrophobicContact CE2-CB 4.16Å; Y880-E1619 PolarHBondContact OH-OE2 3.49Å; R1615-E1619 IonicContact CZ-OE1 2.63Å; R1615-E1619 IonicContact NH1-OE1 3.36Å; R1615-E1619 PolarHBondContact NH1-OE1 2.9Å; R1615-E1619 IonicContact NH2-OE1 3.77Å; R1615-E1619 PolarHBondContact O-N 3.09Å; R1615-E1619 VanDerWaalsContact O-N 3.16Å; I1616-E1619 WeakPolarHBondContact O-CB 3.47Å; I1616-E1619 PolarHBondContact O-N 3.26Å; Y1617-E1619 PolarHBondContact O-N 2.99Å; E1619-V1622 PolarHBondContact O-N 2.84Å; E1619-A1623 WeakPolarHBondContact O-CB 3.23Å; E1619-A1623 PolarHBondContact O-N 3.49Å; E1619-A1623 VanDerWaalsContact O-N 3.07Å; E1619-L1696 HydrophobicContact CB-CD1 4.33Å; E1619-L1696 HydrophobicContact CG-CD1 3.6Å; E1619-V1699 VanDerWaalsContact OE1-CA 3.25Å; E1619-V1699 WeakPolarHBondContact OE1-CA 3.43Å; E1619-S1700 PolarHBondContact OE1-N 3.38Å; E1619-S1700 WeakPolarHBondContact OE2-CB 3.17Å; E1619-S1700 PolarHBondContact OE2-OG 3.16Å; E1619-F1703 HydrophobicContact CB-CB 4.23Å; E1619-F1703 HydrophobicContact CB-CD2 3.63Å; E1619-F1703 HydrophobicContact CB-CE2 4.33Å; E1619-F1703 HydrophobicContact CB-CG 4.2Å; E1619-F1703 HydrophobicContact CG-CB 4.03Å; E1619-F1703 HydrophobicContact CG-CD2 3.77Å; E1619-F1703 HydrophobicContact CG-CE2 4.4Å; E1619-F1703 HydrophobicContact CG-CG 3.95Å |
| 1620 | A | 92.3 | Very high | 91.9 | Very high | 21 Ų | 21 | 23.4 Ų | 23.4 | 17% | 0.174 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y880 I1616 Y1617 V1622 A1623 L1624 | Y880-A1620 HydrophobicContact CD1-CB 3.76Å; Y880-A1620 HydrophobicContact CE1-CB 3.65Å; I1616-A1620 PolarHBondContact O-N 3.31Å; I1616-A1620 VanDerWaalsContact O-N 3.13Å; Y1617-A1620 WeakPolarHBondContact O-CB 3.38Å; Y1617-A1620 PolarHBondContact O-N 2.94Å; Y1617-A1620 VanDerWaalsContact O-N 3.14Å; A1620-V1622 PolarHBondContact O-N 3.15Å; A1620-A1623 PolarHBondContact O-N 2.85Å; A1620-L1624 WeakPolarHBondContact O-CB 3.28Å; A1620-L1624 VanDerWaalsContact O-CG 3.31Å; A1620-L1624 WeakPolarHBondContact O-CG 3.18Å; A1620-L1624 PolarHBondContact O-N 2.84Å |
| 1621 | V | 94.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 179.4 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | P1512 Y1513 V1545 P1594 Y1617 A1623 L1624 N1625 | P1512-V1621 HydrophobicContact CB-CB 4.21Å; P1512-V1621 HydrophobicContact CB-CG1 3.81Å; P1512-V1621 HydrophobicContact CG-CG1 3.98Å; Y1513-V1621 HydrophobicContact CD1-CG1 3.96Å; Y1513-V1621 HydrophobicContact CE1-CG1 3.42Å; Y1513-V1621 VanDerWaalsContact CE1-CG1 3.42Å; Y1513-V1621 HydrophobicContact CE2-CG1 4.49Å; V1545-V1621 WeakPolarHBondContact O-CG2 3.33Å; P1594-V1621 HydrophobicContact CG-CG2 4.28Å; Y1617-V1621 HydrophobicContact CD1-CG2 3.65Å; Y1617-V1621 HydrophobicContact CE1-CG2 3.31Å; Y1617-V1621 WeakPolarHBondContact O-CG2 3.14Å; Y1617-V1621 PolarHBondContact O-N 3.04Å; V1621-A1623 PolarHBondContact O-N 3.3Å; V1621-L1624 PolarHBondContact O-N 2.79Å; V1621-N1625 VanDerWaalsContact CG1-ND2 3.34Å; V1621-N1625 WeakPolarHBondContact CG1-ND2 3.07Å; V1621-N1625 WeakPolarHBondContact O-CB 3.4Å; V1621-N1625 PolarHBondContact O-N 2.61Å; V1621-N1625 PolarHBondContact O-ND2 2.89Å |
| 1622 | V | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63 | -41.1 | 177 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | P1512 N1618 E1619 A1620 L1626 L1659 W1662 F1694 F1703 V1707 | P1512-V1622 HydrophobicContact CB-CG2 3.64Å; P1512-V1622 WeakPolarHBondContact O-CG2 3.33Å; N1618-V1622 WeakPolarHBondContact O-CG2 3.4Å; N1618-V1622 PolarHBondContact O-N 2.93Å; N1618-V1622 VanDerWaalsContact O-N 3.11Å; E1619-V1622 PolarHBondContact O-N 2.84Å; A1620-V1622 PolarHBondContact O-N 3.15Å; V1622-L1626 WeakPolarHBondContact O-CB 3.32Å; V1622-L1626 PolarHBondContact O-N 2.87Å; V1622-L1659 HydrophobicContact CG1-CD2 3.82Å; V1622-W1662 HydrophobicContact CG1-CE3 4.05Å; V1622-W1662 HydrophobicContact CG1-CZ3 4.09Å; V1622-W1662 HydrophobicContact CG2-CE3 4.23Å; V1622-W1662 HydrophobicContact CG2-CZ3 3.8Å; V1622-F1694 HydrophobicContact CG2-CE2 4.41Å; V1622-F1694 HydrophobicContact CG2-CZ 4.4Å; V1622-F1703 HydrophobicContact CB-CE2 3.89Å; V1622-F1703 HydrophobicContact CB-CZ 4.47Å; V1622-F1703 HydrophobicContact CG1-CE2 3.69Å; V1622-F1703 HydrophobicContact CG1-CZ 3.92Å; V1622-V1707 HydrophobicContact CG1-CG2 4.45Å |
| 1623 | A | 92.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 3% | 0.025 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y880 E1619 A1620 V1621 L1626 Q1627 | Y880-A1623 HydrophobicContact CG-CB 4.09Å; E1619-A1623 WeakPolarHBondContact O-CB 3.23Å; E1619-A1623 PolarHBondContact O-N 3.49Å; E1619-A1623 VanDerWaalsContact O-N 3.07Å; A1620-A1623 PolarHBondContact O-N 2.85Å; V1621-A1623 PolarHBondContact O-N 3.3Å; A1623-L1626 PolarHBondContact O-N 3.44Å; A1623-Q1627 WeakPolarHBondContact O-CG 3.3Å; A1623-Q1627 PolarHBondContact O-N 2.78Å |
| 1624 | L | 91.3 | Very high | 92.5 | Very high | 12 Ų | 12 | 16.4 Ų | 16.4 | 6% | 0.063 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -68.3 | -36.2 | 176.7 | -71.8 | 172.4 | 0 | 0 | 0 | 112.5 | E1543 V1545 A1620 V1621 L1626 Q1627 S1628 | E1543-L1624 HydrophobicContact CB-CD1 3.99Å; E1543-L1624 HydrophobicContact CB-CD2 4.16Å; V1545-L1624 HydrophobicContact CG1-CB 4.03Å; A1620-L1624 WeakPolarHBondContact O-CB 3.28Å; A1620-L1624 VanDerWaalsContact O-CG 3.31Å; A1620-L1624 WeakPolarHBondContact O-CG 3.18Å; A1620-L1624 PolarHBondContact O-N 2.84Å; V1621-L1624 PolarHBondContact O-N 2.79Å; L1624-L1626 VanDerWaalsContact C-N 3.35Å; L1624-Q1627 PolarHBondContact O-N 3.15Å; L1624-S1628 WeakPolarHBondContact O-CB 3.14Å; L1624-S1628 PolarHBondContact O-N 3.18Å; L1624-S1628 PolarHBondContact O-OG 2.91Å |
| 1625 | N | 94 | Very high | 92.2 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 172.5 | -76.5 | -24.5 | 0 | 0 | 0 | 111.2 | P1512 Y1513 C1516 V1621 S1628 M1629 | P1512-N1625 PolarHBondContact O-ND2 3.2Å; Y1513-N1625 WeakPolarHBondContact CD1-ND2 3.41Å; C1516-N1625 HydrophobicContact CB-CB 4.28Å; V1621-N1625 VanDerWaalsContact CG1-ND2 3.34Å; V1621-N1625 WeakPolarHBondContact CG1-ND2 3.07Å; V1621-N1625 WeakPolarHBondContact O-CB 3.4Å; V1621-N1625 PolarHBondContact O-N 2.61Å; V1621-N1625 PolarHBondContact O-ND2 2.89Å; N1625-S1628 WeakPolarHBondContact O-CB 3.49Å; N1625-S1628 PolarHBondContact O-N 3.48Å; N1625-M1629 VanDerWaalsContact O-CG 3.32Å; N1625-M1629 WeakPolarHBondContact O-CG 3.08Å; N1625-M1629 PolarHBondContact O-N 3.38Å |
| 1626 | L | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.5 | -39.9 | 175.4 | 179.8 | 56.1 | 0 | 0 | 0 | 112.4 | V1622 A1623 L1624 M1629 I1630 Y1655 L1659 V1707 H1710 L1714 | V1622-L1626 WeakPolarHBondContact O-CB 3.32Å; V1622-L1626 PolarHBondContact O-N 2.87Å; A1623-L1626 PolarHBondContact O-N 3.44Å; L1624-L1626 VanDerWaalsContact C-N 3.35Å; L1626-M1629 PolarHBondContact O-N 2.98Å; L1626-I1630 WeakPolarHBondContact O-CG1 3.21Å; L1626-I1630 PolarHBondContact O-N 3.11Å; L1626-I1630 VanDerWaalsContact O-N 3.11Å; L1626-Y1655 HydrophobicContact CD1-CE1 3.99Å; L1626-L1659 HydrophobicContact CD1-CD1 3.83Å; L1626-L1659 HydrophobicContact CD2-CD1 3.99Å; L1626-L1659 HydrophobicContact CG-CD1 4.47Å; L1626-V1707 HydrophobicContact CD2-CB 4.47Å; L1626-V1707 HydrophobicContact CD2-CG1 4.28Å; L1626-V1707 HydrophobicContact CD2-CG2 4.49Å; L1626-H1710 HydrophobicContact CD2-CB 3.61Å; L1626-H1710 HydrophobicContact CG-CB 3.74Å; L1626-L1714 HydrophobicContact CD1-CB 4.4Å; L1626-L1714 HydrophobicContact CD1-CD2 3.64Å |
| 1627 | Q | 90.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 20 Ų | 20 | 11% | 0.112 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 169.8 | -73.6 | 170.6 | 20.3 | 0 | 0 | 111.8 | Y880 A1623 L1624 M1629 I1630 S1631 H1710 | Y880-Q1627 PolarHBondContact O-NE2 3.38Å; A1623-Q1627 WeakPolarHBondContact O-CG 3.3Å; A1623-Q1627 PolarHBondContact O-N 2.78Å; L1624-Q1627 PolarHBondContact O-N 3.15Å; Q1627-M1629 PolarHBondContact O-N 2.87Å; Q1627-I1630 WeakPolarHBondContact O-CB 3.39Å; Q1627-I1630 PolarHBondContact O-N 3.22Å; Q1627-S1631 PolarHBondContact O-N 2.88Å; Q1627-S1631 VanDerWaalsContact O-N 3.08Å; Q1627-S1631 PolarHBondContact O-OG 3.13Å; Q1627-H1710 WeakPolarHBondContact CG-NE2 3.37Å |
| 1628 | S | 91.8 | Very high | 91.3 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 176.1 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | L1624 N1625 I1630 S1631 I1632 | L1624-S1628 WeakPolarHBondContact O-CB 3.14Å; L1624-S1628 PolarHBondContact O-N 3.18Å; L1624-S1628 PolarHBondContact O-OG 2.91Å; N1625-S1628 WeakPolarHBondContact O-CB 3.49Å; N1625-S1628 PolarHBondContact O-N 3.48Å; S1628-I1630 VanDerWaalsContact C-N 3.29Å; S1628-I1630 PolarHBondContact O-N 2.98Å; S1628-S1631 WeakPolarHBondContact O-CB 3.34Å; S1628-S1631 PolarHBondContact O-N 3.4Å; S1628-I1632 WeakPolarHBondContact O-CB 3.33Å; S1628-I1632 WeakPolarHBondContact O-CD1 2.99Å; S1628-I1632 WeakPolarHBondContact O-CG1 3.44Å; S1628-I1632 PolarHBondContact O-N 3.4Å |
| 1629 | M | 93.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.03 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -33.4 | 175.8 | -73.9 | -64.4 | -69 | 0 | 0 | 112.8 | C1516 L1517 N1625 L1626 Q1627 I1632 V1633 Y1655 L1714 | C1516-M1629 HydrophobicContact CB-CG 4.31Å; C1516-M1629 HydrophobicContact CB-SD 4.4Å; L1517-M1629 HydrophobicContact CB-SD 4.01Å; L1517-M1629 HydrophobicContact CD1-CE 4.36Å; L1517-M1629 HydrophobicContact CD1-SD 4.47Å; L1517-M1629 HydrophobicContact CG-CE 4.25Å; L1517-M1629 HydrophobicContact CG-SD 4.04Å; L1517-M1629 PolarHBondContact N-SD 3.12Å; N1625-M1629 VanDerWaalsContact O-CG 3.32Å; N1625-M1629 WeakPolarHBondContact O-CG 3.08Å; N1625-M1629 PolarHBondContact O-N 3.38Å; L1626-M1629 PolarHBondContact O-N 2.98Å; Q1627-M1629 PolarHBondContact O-N 2.87Å; M1629-I1632 HydrophobicContact SD-CD1 4.26Å; M1629-V1633 VanDerWaalsContact O-CG2 3.31Å; M1629-V1633 WeakPolarHBondContact O-CG2 3.22Å; M1629-V1633 PolarHBondContact O-N 2.61Å; M1629-Y1655 HydrophobicContact CG-CE1 4.45Å; M1629-L1714 HydrophobicContact CB-CD2 4.47Å |
| 1630 | I | 91.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 7% | 0.072 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -50.5 | 171.8 | -74.7 | 161.6 | 0 | 0 | 0 | 110.6 | L1626 Q1627 S1628 I1632 V1633 Q1634 H1710 V1713 L1714 L1717 | L1626-I1630 WeakPolarHBondContact O-CG1 3.21Å; L1626-I1630 PolarHBondContact O-N 3.11Å; L1626-I1630 VanDerWaalsContact O-N 3.11Å; Q1627-I1630 WeakPolarHBondContact O-CB 3.39Å; Q1627-I1630 PolarHBondContact O-N 3.22Å; S1628-I1630 VanDerWaalsContact C-N 3.29Å; S1628-I1630 PolarHBondContact O-N 2.98Å; I1630-I1632 VanDerWaalsContact C-N 3.31Å; I1630-I1632 PolarHBondContact O-N 3.39Å; I1630-V1633 PolarHBondContact O-N 3.02Å; I1630-V1633 VanDerWaalsContact O-N 3.16Å; I1630-Q1634 WeakPolarHBondContact O-CG 3.46Å; I1630-Q1634 PolarHBondContact O-N 3.04Å; I1630-H1710 HydrophobicContact CD1-CB 3.78Å; I1630-V1713 HydrophobicContact CD1-CB 4.09Å; I1630-V1713 HydrophobicContact CD1-CG1 4.03Å; I1630-V1713 HydrophobicContact CG1-CG1 4.31Å; I1630-V1713 HydrophobicContact CG2-CG1 4.1Å; I1630-L1714 HydrophobicContact CD1-CB 4.4Å; I1630-L1714 HydrophobicContact CG1-CB 3.88Å; I1630-L1714 HydrophobicContact CG1-CD1 4.11Å; I1630-L1717 HydrophobicContact CB-CD1 4.47Å; I1630-L1717 HydrophobicContact CG1-CD1 4.49Å; I1630-L1717 HydrophobicContact CG2-CD1 3.8Å |
| 1631 | S | 89.8 | Confident | 90.7 | Very high | 18 Ų | 18 | 26.7 Ų | 26.7 | 13% | 0.126 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.7 | -41.8 | 176.1 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | N793 F1540 Q1627 S1628 Q1634 N1635 | N793-S1631 PolarHBondContact ND2-OG 3.06Å; F1540-S1631 PolarHBondContact O-OG 3.41Å; Q1627-S1631 PolarHBondContact O-N 2.88Å; Q1627-S1631 VanDerWaalsContact O-N 3.08Å; Q1627-S1631 PolarHBondContact O-OG 3.13Å; S1628-S1631 WeakPolarHBondContact O-CB 3.34Å; S1628-S1631 PolarHBondContact O-N 3.4Å; S1631-Q1634 PolarHBondContact O-N 2.7Å; S1631-N1635 PolarHBondContact O-N 3.13Å |
| 1632 | I | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -35.9 | 177.5 | -68.7 | 158.4 | 0 | 0 | 0 | 111.8 | L1517 F1519 F1540 S1628 M1629 I1630 N1635 P1636 I1644 | L1517-I1632 HydrophobicContact CB-CD1 4.42Å; L1517-I1632 HydrophobicContact CD1-CG2 4.44Å; F1519-I1632 HydrophobicContact CE2-CD1 3.92Å; F1519-I1632 HydrophobicContact CE2-CG1 4.17Å; F1519-I1632 HydrophobicContact CE2-CG2 4.21Å; F1519-I1632 HydrophobicContact CZ-CG2 4.35Å; F1540-I1632 HydrophobicContact CB-CG1 4.37Å; F1540-I1632 HydrophobicContact CD1-CD1 4.5Å; F1540-I1632 HydrophobicContact CD1-CG1 3.55Å; F1540-I1632 HydrophobicContact CD2-CD1 4.01Å; F1540-I1632 HydrophobicContact CD2-CG1 3.89Å; F1540-I1632 HydrophobicContact CE1-CG1 3.69Å; F1540-I1632 HydrophobicContact CE2-CD1 4.31Å; F1540-I1632 HydrophobicContact CE2-CG1 4.05Å; F1540-I1632 HydrophobicContact CG-CD1 4.13Å; F1540-I1632 HydrophobicContact CG-CG1 3.66Å; F1540-I1632 HydrophobicContact CZ-CG1 3.95Å; S1628-I1632 WeakPolarHBondContact O-CB 3.33Å; S1628-I1632 WeakPolarHBondContact O-CD1 2.99Å; S1628-I1632 WeakPolarHBondContact O-CG1 3.44Å; S1628-I1632 PolarHBondContact O-N 3.4Å; M1629-I1632 HydrophobicContact SD-CD1 4.26Å; I1630-I1632 VanDerWaalsContact C-N 3.31Å; I1630-I1632 PolarHBondContact O-N 3.39Å; I1632-N1635 CarbonylContact O-C 3.58Å; I1632-P1636 WeakPolarHBondContact O-CA 3.4Å; I1632-P1636 WeakPolarHBondContact O-CD 3.46Å; I1632-P1636 WeakPolarHBondContact O-CG 3.25Å; I1632-P1636 VanDerWaalsContact O-N 3.09Å; I1632-I1644 HydrophobicContact CG2-CD1 4.37Å; I1632-I1644 HydrophobicContact CG2-CG1 4.5Å; I1632-I1644 HydrophobicContact CG2-CG2 3.69Å |
| 1633 | V | 91 | Very high | 90.4 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -78.4 | -29.2 | 176.7 | 173 | 0 | 0 | 0 | 0 | 112.1 | M1629 I1630 C1648 L1714 L1717 I1718 H1721 | M1629-V1633 VanDerWaalsContact O-CG2 3.31Å; M1629-V1633 WeakPolarHBondContact O-CG2 3.22Å; M1629-V1633 PolarHBondContact O-N 2.61Å; I1630-V1633 PolarHBondContact O-N 3.02Å; I1630-V1633 VanDerWaalsContact O-N 3.16Å; V1633-C1648 HydrophobicContact CG2-CB 4.22Å; V1633-L1714 HydrophobicContact CB-CD1 4.38Å; V1633-L1714 HydrophobicContact CG2-CD1 3.98Å; V1633-L1717 HydrophobicContact CG1-CB 3.84Å; V1633-I1718 HydrophobicContact CG1-CG1 4.12Å; V1633-I1718 HydrophobicContact CG2-CG1 4.35Å; V1633-H1721 PolarHBondContact O-NE2 3Å |
| 1634 | Q | 89.1 | Confident | 90.5 | Very high | 116 Ų | 116 | 36.5 Ų | 36.5 | 54% | 0.542 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -70.4 | -45.7 | 172.5 | -73.7 | 172.6 | -24.1 | 0 | 0 | 111.8 | I1630 S1631 L1717 | I1630-Q1634 WeakPolarHBondContact O-CG 3.46Å; I1630-Q1634 PolarHBondContact O-N 3.04Å; S1631-Q1634 PolarHBondContact O-N 2.7Å; Q1634-L1717 HydrophobicContact CG-CD1 3.84Å; Q1634-L1717 HydrophobicContact CG-CD2 3.93Å |
| 1635 | N | 87.6 | Confident | 90.5 | Very high | 118 Ų | 118 | 37.6 Ų | 37.6 | 63% | 0.631 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -127.3 | 75 | 178 | -167.6 | 12.6 | 0 | 0 | 0 | 112.5 | S1631 I1632 F1637 | S1631-N1635 PolarHBondContact O-N 3.13Å; I1632-N1635 CarbonylContact O-C 3.58Å; N1635-F1637 PolarHBondContact O-N 3.26Å |
| 1636 | P | 88.1 | Confident | 90.3 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | trans | -59.8 | 125.8 | -178.8 | -25.7 | 33.6 | 0 | 0 | 0 | 113.3 | I1632 R1641 I1644 I1645 | I1632-P1636 WeakPolarHBondContact O-CA 3.4Å; I1632-P1636 WeakPolarHBondContact O-CD 3.46Å; I1632-P1636 WeakPolarHBondContact O-CG 3.25Å; I1632-P1636 VanDerWaalsContact O-N 3.09Å; P1636-R1641 HydrophobicContact CB-CB 4.37Å; P1636-R1641 HydrophobicContact CB-CG 4.03Å; P1636-I1644 HydrophobicContact CB-CB 4.48Å; P1636-I1644 HydrophobicContact CB-CD1 4.25Å; P1636-I1644 HydrophobicContact CB-CG2 4.08Å; P1636-I1645 HydrophobicContact CG-CG1 4.44Å | ||
| 1637 | F | 85.3 | Confident | 90.3 | Very high | 17 Ų | 17 | 44.4 Ų | 44.4 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | trans | -53.4 | 121.6 | -176.1 | -154.9 | -121.3 | 0 | 0 | 0 | 111.3 | F1519 Y1538 F1540 N1635 H1639 F1640 R1641 I1644 | F1519-F1637 HydrophobicContact CD1-CD1 4.22Å; F1519-F1637 HydrophobicContact CE1-CB 4.47Å; Y1538-F1637 AromaticContact CD1-CE2 3.88Å; Y1538-F1637 HydrophobicContact CD1-CE2 3.88Å; Y1538-F1637 HydrophobicContact CD1-CZ 4.06Å; Y1538-F1637 HydrophobicContact CD2-CE1 4.41Å; Y1538-F1637 HydrophobicContact CD2-CE2 4.34Å; Y1538-F1637 AromaticContact CD2-CZ 3.79Å; Y1538-F1637 HydrophobicContact CD2-CZ 3.79Å; Y1538-F1637 AromaticContact CE1-CE2 3.87Å; Y1538-F1637 HydrophobicContact CE1-CE2 3.87Å; Y1538-F1637 AromaticContact CE1-CZ 3.83Å; Y1538-F1637 HydrophobicContact CE1-CZ 3.83Å; Y1538-F1637 HydrophobicContact CE2-CE1 4.27Å; Y1538-F1637 HydrophobicContact CE2-CE2 4.34Å; Y1538-F1637 AromaticContact CE2-CZ 3.55Å; Y1538-F1637 HydrophobicContact CE2-CZ 3.55Å; Y1538-F1637 HydrophobicContact CG-CE2 4.12Å; Y1538-F1637 HydrophobicContact CG-CZ 4.05Å; Y1538-F1637 AromaticContact CZ-CZ 3.58Å; F1540-F1637 HydrophobicContact CZ-CD2 4.43Å; N1635-F1637 PolarHBondContact O-N 3.26Å; F1637-H1639 AromaticContact CD1-CE1 3.55Å; F1637-H1639 AromaticContact CD1-NE2 3.62Å; F1637-H1639 AromaticContact CE1-CE1 3.15Å; F1637-H1639 WeakPolarHBondContact CE1-CE1 3.29Å; F1637-H1639 AromaticContact CE1-NE2 3.45Å; F1637-H1639 WeakPolarHBondContact CE1-NE2 3.49Å; F1637-H1639 PolarHBondContact O-N 2.67Å; F1637-H1639 VanDerWaalsContact O-N 3.14Å; F1637-F1640 HydrophobicContact CD1-CD2 4.19Å; F1637-F1640 CarbonylContact O-C 3.47Å; F1637-F1640 PolarHBondContact O-N 3.48Å; F1637-R1641 PolarHBondContact O-N 2.93Å; F1637-I1644 HydrophobicContact CB-CD1 3.76Å | ||
| 1638 | P | 84.4 | Confident | 90.3 | Very high | 76 Ų | 76 | 43.6 Ų | 43.6 | 49% | 0.494 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -55.4 | -44.6 | -154.2 | -32.2 | 35.7 | 0 | 0 | 0 | 116.3 | R1641 | P1638-R1641 VanDerWaalsContact O-CB 3.3Å; P1638-R1641 WeakPolarHBondContact O-CB 3.43Å; P1638-R1641 PolarHBondContact O-N 3.37Å |
| 1639 | H | 86.9 | Confident | 90.3 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 9% | 0.088 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -82.5 | -16.2 | -177.8 | 57.5 | -101.9 | 0 | 0 | 0 | 113.7 | P1453 K1492 S1502 F1637 | P1453-H1639 HydrophobicContact CG-CB 4.42Å; P1453-H1639 WeakPolarHBondContact CG-ND1 3.38Å; K1492-H1639 PolarHBondContact NZ-O 2.86Å; S1502-H1639 WeakPolarHBondContact CB-NE2 3.39Å; S1502-H1639 PolarHBondContact OG-NE2 2.83Å; F1637-H1639 AromaticContact CD1-CE1 3.55Å; F1637-H1639 AromaticContact CD1-NE2 3.62Å; F1637-H1639 AromaticContact CE1-CE1 3.15Å; F1637-H1639 WeakPolarHBondContact CE1-CE1 3.29Å; F1637-H1639 AromaticContact CE1-NE2 3.45Å; F1637-H1639 WeakPolarHBondContact CE1-NE2 3.49Å; F1637-H1639 PolarHBondContact O-N 2.67Å; F1637-H1639 VanDerWaalsContact O-N 3.14Å |
| 1640 | F | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -100.5 | 8.6 | 169.8 | -75.8 | -65.6 | 0 | 0 | 0 | 112.7 | I1490 K1492 M1504 F1519 F1637 K1642 E1643 I1644 | I1490-F1640 HydrophobicContact CB-CE1 4.29Å; I1490-F1640 HydrophobicContact CG2-CE1 3.86Å; K1492-F1640 HydrophobicContact CB-CZ 4.4Å; K1492-F1640 HydrophobicContact CD-CD1 4.12Å; K1492-F1640 HydrophobicContact CD-CE1 3.71Å; K1492-F1640 HydrophobicContact CD-CZ 4.08Å; K1492-F1640 HydrophobicContact CG-CE1 3.71Å; K1492-F1640 HydrophobicContact CG-CZ 3.88Å; M1504-F1640 HydrophobicContact CB-CD1 3.99Å; M1504-F1640 HydrophobicContact CB-CD2 4.25Å; M1504-F1640 HydrophobicContact CB-CE1 3.74Å; M1504-F1640 HydrophobicContact CB-CE2 4.02Å; M1504-F1640 HydrophobicContact CB-CG 4.25Å; M1504-F1640 HydrophobicContact CB-CZ 3.76Å; M1504-F1640 HydrophobicContact SD-CB 4.46Å; M1504-F1640 HydrophobicContact SD-CD1 4.23Å; M1504-F1640 HydrophobicContact SD-CG 4.4Å; F1519-F1640 HydrophobicContact CD1-CB 4.48Å; F1519-F1640 AromaticContact CD1-CD2 3.72Å; F1519-F1640 HydrophobicContact CD1-CD2 3.72Å; F1519-F1640 HydrophobicContact CD1-CE2 4.29Å; F1519-F1640 HydrophobicContact CD1-CG 4.33Å; F1519-F1640 HydrophobicContact CE1-CB 3.93Å; F1519-F1640 AromaticContact CE1-CD2 4Å; F1519-F1640 HydrophobicContact CE1-CD2 4Å; F1519-F1640 HydrophobicContact CE1-CG 4.14Å; F1637-F1640 HydrophobicContact CD1-CD2 4.19Å; F1637-F1640 CarbonylContact O-C 3.47Å; F1637-F1640 PolarHBondContact O-N 3.48Å; F1640-K1642 VanDerWaalsContact C-N 3.26Å; F1640-K1642 PolarHBondContact O-N 3.35Å; F1640-K1642 VanDerWaalsContact O-N 3.12Å; F1640-E1643 VanDerWaalsContact CA-OE2 3.3Å; F1640-E1643 WeakPolarHBondContact CA-OE2 3.49Å; F1640-E1643 HydrophobicContact CD1-CB 4.38Å; F1640-E1643 HydrophobicContact CD1-CG 4.35Å; F1640-E1643 PolarHBondContact O-N 3.07Å; F1640-E1643 VanDerWaalsContact O-N 3.09Å; F1640-E1643 VanDerWaalsContact O-OE2 3.13Å; F1640-I1644 HydrophobicContact CB-CD1 3.84Å; F1640-I1644 HydrophobicContact CB-CG1 4.07Å; F1640-I1644 WeakPolarHBondContact O-CB 3.03Å; F1640-I1644 WeakPolarHBondContact O-CG1 3.46Å; F1640-I1644 PolarHBondContact O-N 2.82Å |
| 1641 | R | 90.9 | Very high | 90.2 | Very high | 115 Ų | 115 | 52.7 Ų | 52.7 | 43% | 0.434 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.7 | -36 | -171.2 | 178.1 | 171 | -173.1 | 98.1 | 2 | 113.9 | P1636 F1637 P1638 I1645 | P1636-R1641 HydrophobicContact CB-CB 4.37Å; P1636-R1641 HydrophobicContact CB-CG 4.03Å; F1637-R1641 PolarHBondContact O-N 2.93Å; P1638-R1641 VanDerWaalsContact O-CB 3.3Å; P1638-R1641 WeakPolarHBondContact O-CB 3.43Å; P1638-R1641 PolarHBondContact O-N 3.37Å; R1641-I1645 HydrophobicContact CG-CD1 3.81Å; R1641-I1645 WeakPolarHBondContact O-CB 3.2Å; R1641-I1645 WeakPolarHBondContact O-CD1 3.38Å; R1641-I1645 VanDerWaalsContact O-CG1 3.24Å; R1641-I1645 WeakPolarHBondContact O-CG1 3.41Å; R1641-I1645 PolarHBondContact O-N 2.89Å; R1641-I1645 VanDerWaalsContact O-N 3.15Å |
| 1642 | K | 90.4 | Very high | 90.2 | Very high | 175 Ų | 175 | 52.8 Ų | 52.8 | 76% | 0.761 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -72.8 | -43.4 | 179.9 | -66.3 | 175.2 | -179 | 170.9 | 0 | 110.9 | F1640 K1646 | F1640-K1642 VanDerWaalsContact C-N 3.26Å; F1640-K1642 PolarHBondContact O-N 3.35Å; F1640-K1642 VanDerWaalsContact O-N 3.12Å; K1642-K1646 WeakPolarHBondContact O-CB 3.27Å; K1642-K1646 PolarHBondContact O-N 3.09Å |
| 1643 | E | 93 | Very high | 90.1 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.9 | -44.5 | -179.9 | -61.1 | 80.1 | 174.2 | 0 | 0 | 110.7 | I1490 K1492 M1504 F1640 H1647 | I1490-E1643 HydrophobicContact CD1-CB 4.39Å; I1490-E1643 HydrophobicContact CD1-CG 4.13Å; K1492-E1643 VanDerWaalsContact CE-OE1 3.29Å; K1492-E1643 WeakPolarHBondContact CE-OE1 3.36Å; K1492-E1643 IonicContact NZ-OE1 2.68Å; K1492-E1643 PolarHBondContact NZ-OE1 3.16Å; K1492-E1643 IonicContact NZ-OE2 3.78Å; M1504-E1643 HydrophobicContact CE-CB 4.28Å; M1504-E1643 HydrophobicContact SD-CB 4.35Å; F1640-E1643 VanDerWaalsContact CA-OE2 3.3Å; F1640-E1643 WeakPolarHBondContact CA-OE2 3.49Å; F1640-E1643 HydrophobicContact CD1-CB 4.38Å; F1640-E1643 HydrophobicContact CD1-CG 4.35Å; F1640-E1643 PolarHBondContact O-N 3.07Å; F1640-E1643 VanDerWaalsContact O-N 3.09Å; F1640-E1643 VanDerWaalsContact O-OE2 3.13Å; E1643-H1647 VanDerWaalsContact O-CB 3.27Å; E1643-H1647 WeakPolarHBondContact O-CB 3.15Å; E1643-H1647 PolarHBondContact O-N 3.17Å |
| 1644 | I | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.4 | -56.7 | 174.2 | -68.6 | 165.6 | 0 | 0 | 0 | 111 | M1504 L1517 F1519 I1632 P1636 F1637 F1640 K1646 H1647 C1648 | M1504-I1644 HydrophobicContact SD-CG1 4.43Å; L1517-I1644 HydrophobicContact CD1-CB 4.45Å; L1517-I1644 HydrophobicContact CD1-CG1 4.14Å; L1517-I1644 HydrophobicContact CD1-CG2 4.31Å; F1519-I1644 HydrophobicContact CE1-CD1 3.77Å; F1519-I1644 HydrophobicContact CE1-CG1 3.94Å; F1519-I1644 HydrophobicContact CZ-CD1 3.59Å; F1519-I1644 HydrophobicContact CZ-CG1 3.67Å; I1632-I1644 HydrophobicContact CG2-CD1 4.37Å; I1632-I1644 HydrophobicContact CG2-CG1 4.5Å; I1632-I1644 HydrophobicContact CG2-CG2 3.69Å; P1636-I1644 HydrophobicContact CB-CB 4.48Å; P1636-I1644 HydrophobicContact CB-CD1 4.25Å; P1636-I1644 HydrophobicContact CB-CG2 4.08Å; F1637-I1644 HydrophobicContact CB-CD1 3.76Å; F1640-I1644 HydrophobicContact CB-CD1 3.84Å; F1640-I1644 HydrophobicContact CB-CG1 4.07Å; F1640-I1644 WeakPolarHBondContact O-CB 3.03Å; F1640-I1644 WeakPolarHBondContact O-CG1 3.46Å; F1640-I1644 PolarHBondContact O-N 2.82Å; I1644-K1646 VanDerWaalsContact C-N 3.31Å; I1644-K1646 PolarHBondContact O-N 3Å; I1644-H1647 PolarHBondContact O-N 3.41Å; I1644-C1648 WeakPolarHBondContact O-CB 3.45Å; I1644-C1648 PolarHBondContact O-N 3.34Å; I1644-C1648 PolarHBondContact O-SG 3.32Å |
| 1645 | I | 91.2 | Very high | 90.4 | Very high | 34 Ų | 34 | 63.2 Ų | 63.2 | 17% | 0.174 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | -176.5 | -68.9 | 170.1 | 0 | 0 | 0 | 109.8 | P1636 R1641 C1648 V1649 | P1636-I1645 HydrophobicContact CG-CG1 4.44Å; R1641-I1645 HydrophobicContact CG-CD1 3.81Å; R1641-I1645 WeakPolarHBondContact O-CB 3.2Å; R1641-I1645 WeakPolarHBondContact O-CD1 3.38Å; R1641-I1645 VanDerWaalsContact O-CG1 3.24Å; R1641-I1645 WeakPolarHBondContact O-CG1 3.41Å; R1641-I1645 PolarHBondContact O-N 2.89Å; R1641-I1645 VanDerWaalsContact O-N 3.15Å; I1645-C1648 PolarHBondContact O-N 3.41Å; I1645-V1649 HydrophobicContact CG2-CG2 4.49Å; I1645-V1649 WeakPolarHBondContact O-CB 3.35Å; I1645-V1649 WeakPolarHBondContact O-CG2 3.18Å; I1645-V1649 PolarHBondContact O-N 2.93Å |
| 1646 | K | 91.2 | Very high | 90.7 | Very high | 131 Ų | 131 | 59.1 Ų | 59.1 | 57% | 0.57 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60.1 | -53.2 | 175.6 | -177 | -176.3 | 175.5 | -170 | 0 | 112 | K1642 I1644 C1648 V1649 D1650 | K1642-K1646 WeakPolarHBondContact O-CB 3.27Å; K1642-K1646 PolarHBondContact O-N 3.09Å; I1644-K1646 VanDerWaalsContact C-N 3.31Å; I1644-K1646 PolarHBondContact O-N 3Å; K1646-C1648 VanDerWaalsContact C-N 3.32Å; K1646-C1648 PolarHBondContact O-N 2.87Å; K1646-V1649 PolarHBondContact O-N 3.47Å; K1646-D1650 WeakPolarHBondContact CE-OD2 3.48Å; K1646-D1650 WeakPolarHBondContact CG-OD2 3.23Å; K1646-D1650 VanDerWaalsContact O-CB 3.31Å; K1646-D1650 WeakPolarHBondContact O-CB 3.31Å; K1646-D1650 PolarHBondContact O-N 2.78Å |
| 1647 | H | 93.1 | Very high | 91 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.069 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58 | -45.2 | 179.5 | 173.9 | 88.3 | 0 | 0 | 0 | 111.5 | H1515 E1643 I1644 V1649 D1650 K1651 | H1515-H1647 PolarHBondContact O-NE2 3.03Å; E1643-H1647 VanDerWaalsContact O-CB 3.27Å; E1643-H1647 WeakPolarHBondContact O-CB 3.15Å; E1643-H1647 PolarHBondContact O-N 3.17Å; I1644-H1647 PolarHBondContact O-N 3.41Å; H1647-V1649 PolarHBondContact O-N 3.36Å; H1647-D1650 PolarHBondContact O-N 2.98Å; H1647-K1651 WeakPolarHBondContact O-CB 3.34Å; H1647-K1651 VanDerWaalsContact O-CG 3.24Å; H1647-K1651 WeakPolarHBondContact O-CG 3.34Å; H1647-K1651 PolarHBondContact O-N 3.48Å |
| 1648 | C | 91.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 177.8 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | V1633 I1644 I1645 K1646 C1652 I1718 | V1633-C1648 HydrophobicContact CG2-CB 4.22Å; I1644-C1648 WeakPolarHBondContact O-CB 3.45Å; I1644-C1648 PolarHBondContact O-N 3.34Å; I1644-C1648 PolarHBondContact O-SG 3.32Å; I1645-C1648 PolarHBondContact O-N 3.41Å; K1646-C1648 VanDerWaalsContact C-N 3.32Å; K1646-C1648 PolarHBondContact O-N 2.87Å; C1648-C1652 WeakPolarHBondContact O-CA 3.46Å; C1648-C1652 WeakPolarHBondContact O-CB 3.43Å; C1648-C1652 PolarHBondContact O-N 2.85Å; C1648-I1718 HydrophobicContact CB-CD1 4.07Å; C1648-I1718 HydrophobicContact CB-CG1 4.45Å |
| 1649 | V | 91.3 | Very high | 91.8 | Very high | 55 Ų | 55 | 60.2 Ų | 60.2 | 33% | 0.333 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.3 | -48.1 | 177.6 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | I1645 K1646 H1647 K1651 I1718 I1722 | I1645-V1649 HydrophobicContact CG2-CG2 4.49Å; I1645-V1649 WeakPolarHBondContact O-CB 3.35Å; I1645-V1649 WeakPolarHBondContact O-CG2 3.18Å; I1645-V1649 PolarHBondContact O-N 2.93Å; K1646-V1649 PolarHBondContact O-N 3.47Å; H1647-V1649 PolarHBondContact O-N 3.36Å; V1649-K1651 PolarHBondContact O-N 3.28Å; V1649-I1718 HydrophobicContact CG2-CG2 4.28Å; V1649-I1722 HydrophobicContact CG1-CD1 4.21Å; V1649-I1722 HydrophobicContact CG1-CG1 4.17Å; V1649-I1722 HydrophobicContact CG2-CD1 4.26Å; V1649-I1722 HydrophobicContact CG2-CG1 3.79Å |
| 1650 | D | 91 | Very high | 92.2 | Very high | 101 Ų | 101 | 63.2 Ų | 63.2 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.2 | -35.7 | -177.3 | -74.8 | -12.1 | 0 | 0 | 0 | 112.5 | K1646 H1647 | K1646-D1650 WeakPolarHBondContact CE-OD2 3.48Å; K1646-D1650 WeakPolarHBondContact CG-OD2 3.23Å; K1646-D1650 VanDerWaalsContact O-CB 3.31Å; K1646-D1650 WeakPolarHBondContact O-CB 3.31Å; K1646-D1650 PolarHBondContact O-N 2.78Å; H1647-D1650 PolarHBondContact O-N 2.98Å |
| 1651 | K | 91.4 | Very high | 92.2 | Very high | 65 Ų | 65 | 64.8 Ų | 64.8 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -101.5 | -18 | -174.3 | -53.6 | -81.3 | -173.6 | 145.4 | 0 | 113.9 | H1647 V1649 K1653 K1654 Y1655 | H1647-K1651 WeakPolarHBondContact O-CB 3.34Å; H1647-K1651 VanDerWaalsContact O-CG 3.24Å; H1647-K1651 WeakPolarHBondContact O-CG 3.34Å; H1647-K1651 PolarHBondContact O-N 3.48Å; V1649-K1651 PolarHBondContact O-N 3.28Å; K1651-K1653 VanDerWaalsContact C-N 3.32Å; K1651-K1653 PolarHBondContact O-N 2.83Å; K1651-K1653 VanDerWaalsContact O-N 3.15Å; K1651-K1654 WeakPolarHBondContact O-CA 3.4Å; K1651-K1654 WeakPolarHBondContact O-CB 3.38Å; K1651-K1654 PolarHBondContact O-N 2.53Å; K1651-Y1655 PolarHBondContact O-N 3.03Å |
| 1652 | C | 88.8 | Confident | 92.3 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -44.1 | -51.8 | -176.2 | 165.2 | 0 | 0 | 0 | 0 | 113.3 | C1648 K1654 Y1655 L1656 I1718 | C1648-C1652 WeakPolarHBondContact O-CA 3.46Å; C1648-C1652 WeakPolarHBondContact O-CB 3.43Å; C1648-C1652 PolarHBondContact O-N 2.85Å; C1652-K1654 VanDerWaalsContact C-N 3.27Å; C1652-K1654 PolarHBondContact O-N 3.33Å; C1652-Y1655 PolarHBondContact O-N 3.08Å; C1652-L1656 WeakPolarHBondContact O-CB 3.5Å; C1652-L1656 WeakPolarHBondContact O-CG 3.28Å; C1652-L1656 PolarHBondContact O-N 2.93Å; C1652-L1656 VanDerWaalsContact SG-CD1 3.54Å; C1652-I1718 HydrophobicContact CB-CD1 3.89Å; C1652-I1718 HydrophobicContact CB-CG2 4.12Å |
| 1653 | K | 91 | Very high | 92.5 | Very high | 186 Ų | 186 | 51.2 Ų | 51.2 | 81% | 0.809 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.3 | -32.2 | -179.5 | -68 | -179.3 | 179 | 176.1 | 0 | 113.4 | K1651 C1657 | K1651-K1653 VanDerWaalsContact C-N 3.32Å; K1651-K1653 PolarHBondContact O-N 2.83Å; K1651-K1653 VanDerWaalsContact O-N 3.15Å; K1653-C1657 VanDerWaalsContact O-CB 3.23Å; K1653-C1657 WeakPolarHBondContact O-CB 3.04Å; K1653-C1657 PolarHBondContact O-N 3.35Å |
| 1654 | K | 92.7 | Very high | 92.5 | Very high | 145 Ų | 145 | 51.6 Ų | 51.6 | 63% | 0.63 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -77 | -46.2 | 175.9 | -65.4 | -171.8 | 175.4 | -171.4 | 0 | 111 | K1651 C1652 C1657 L1658 | K1651-K1654 WeakPolarHBondContact O-CA 3.4Å; K1651-K1654 WeakPolarHBondContact O-CB 3.38Å; K1651-K1654 PolarHBondContact O-N 2.53Å; C1652-K1654 VanDerWaalsContact C-N 3.27Å; C1652-K1654 PolarHBondContact O-N 3.33Å; K1654-C1657 PolarHBondContact O-N 2.79Å; K1654-L1658 WeakPolarHBondContact O-CB 3.49Å; K1654-L1658 PolarHBondContact O-N 3.11Å |
| 1655 | Y | 93.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 51.7 Ų | 51.7 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | -178.9 | -172.8 | -133.2 | 0 | 0 | 0 | 112.3 | E1514 H1515 C1516 L1626 M1629 K1651 C1652 C1657 L1658 L1659 L1714 | E1514-Y1655 WeakPolarHBondContact O-CE2 3.41Å; H1515-Y1655 HydrophobicContact CB-CD2 3.89Å; H1515-Y1655 HydrophobicContact CB-CG 4.24Å; C1516-Y1655 PolarHBondContact SG-OH 2.76Å; L1626-Y1655 HydrophobicContact CD1-CE1 3.99Å; M1629-Y1655 HydrophobicContact CG-CE1 4.45Å; K1651-Y1655 PolarHBondContact O-N 3.03Å; C1652-Y1655 PolarHBondContact O-N 3.08Å; Y1655-C1657 VanDerWaalsContact C-N 3.31Å; Y1655-C1657 PolarHBondContact O-N 3.3Å; Y1655-L1658 WeakPolarHBondContact O-CB 3.27Å; Y1655-L1658 PolarHBondContact O-N 2.74Å; Y1655-L1659 HydrophobicContact CD1-CD1 3.94Å; Y1655-L1659 HydrophobicContact CD2-CD1 4.22Å; Y1655-L1659 HydrophobicContact CD2-CG 4.2Å; Y1655-L1659 HydrophobicContact CE1-CD1 3.66Å; Y1655-L1659 HydrophobicContact CE2-CD1 3.93Å; Y1655-L1659 HydrophobicContact CE2-CD2 4.09Å; Y1655-L1659 HydrophobicContact CE2-CG 3.92Å; Y1655-L1659 HydrophobicContact CG-CD1 4.2Å; Y1655-L1659 WeakPolarHBondContact O-CB 3.32Å; Y1655-L1659 VanDerWaalsContact O-CG 3.29Å; Y1655-L1659 WeakPolarHBondContact O-CG 3.48Å; Y1655-L1659 PolarHBondContact O-N 3.05Å; Y1655-L1714 HydrophobicContact CD1-CD2 4.04Å; Y1655-L1714 HydrophobicContact CE1-CD2 3.99Å |
| 1656 | L | 93.4 | Very high | 92.4 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -34.1 | 175.7 | -64.5 | 178.9 | 0 | 0 | 0 | 112.5 | C1652 L1659 E1660 L1714 | C1652-L1656 WeakPolarHBondContact O-CB 3.5Å; C1652-L1656 WeakPolarHBondContact O-CG 3.28Å; C1652-L1656 PolarHBondContact O-N 2.93Å; C1652-L1656 VanDerWaalsContact SG-CD1 3.54Å; L1656-L1659 HydrophobicContact CD2-CD1 4.46Å; L1656-E1660 WeakPolarHBondContact O-CB 3.26Å; L1656-E1660 PolarHBondContact O-N 3.35Å; L1656-L1714 HydrophobicContact CD2-CD2 4.45Å |
| 1657 | C | 93.7 | Very high | 92.3 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.5 | -39.2 | 174 | -170.1 | 0 | 0 | 0 | 0 | 112 | K1653 K1654 Y1655 N1661 | K1653-C1657 VanDerWaalsContact O-CB 3.23Å; K1653-C1657 WeakPolarHBondContact O-CB 3.04Å; K1653-C1657 PolarHBondContact O-N 3.35Å; K1654-C1657 PolarHBondContact O-N 2.79Å; Y1655-C1657 VanDerWaalsContact C-N 3.31Å; Y1655-C1657 PolarHBondContact O-N 3.3Å; C1657-N1661 VanDerWaalsContact O-CB 3.24Å; C1657-N1661 WeakPolarHBondContact O-CB 3.35Å; C1657-N1661 PolarHBondContact O-N 2.75Å |
| 1658 | L | 93.3 | Very high | 92.1 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.1 | -175 | 66.8 | 0 | 0 | 0 | 111.2 | E1514 K1654 Y1655 N1661 W1662 | E1514-L1658 HydrophobicContact CB-CD2 4.14Å; E1514-L1658 HydrophobicContact CG-CD2 3.67Å; K1654-L1658 WeakPolarHBondContact O-CB 3.49Å; K1654-L1658 PolarHBondContact O-N 3.11Å; Y1655-L1658 WeakPolarHBondContact O-CB 3.27Å; Y1655-L1658 PolarHBondContact O-N 2.74Å; L1658-N1661 PolarHBondContact O-N 2.89Å; L1658-W1662 HydrophobicContact CD1-CD2 4.47Å; L1658-W1662 HydrophobicContact CD1-CZ2 3.67Å; L1658-W1662 HydrophobicContact CD2-CH2 3.8Å; L1658-W1662 HydrophobicContact CD2-CZ2 3.64Å; L1658-W1662 HydrophobicContact CD2-CZ3 4.48Å; L1658-W1662 HydrophobicContact CG-CD2 4.15Å; L1658-W1662 HydrophobicContact CG-CH2 4.08Å; L1658-W1662 HydrophobicContact CG-CZ2 3.59Å; L1658-W1662 VanDerWaalsContact O-CG 3.22Å; L1658-W1662 PolarHBondContact O-N 3.2Å |
| 1659 | L | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 177.6 | -73.4 | 170.7 | 0 | 0 | 0 | 112.8 | V1622 L1626 Y1655 L1656 W1662 A1663 V1707 | V1622-L1659 HydrophobicContact CG1-CD2 3.82Å; L1626-L1659 HydrophobicContact CD1-CD1 3.83Å; L1626-L1659 HydrophobicContact CD2-CD1 3.99Å; L1626-L1659 HydrophobicContact CG-CD1 4.47Å; Y1655-L1659 HydrophobicContact CD1-CD1 3.94Å; Y1655-L1659 HydrophobicContact CD2-CD1 4.22Å; Y1655-L1659 HydrophobicContact CD2-CG 4.2Å; Y1655-L1659 HydrophobicContact CE1-CD1 3.66Å; Y1655-L1659 HydrophobicContact CE2-CD1 3.93Å; Y1655-L1659 HydrophobicContact CE2-CD2 4.09Å; Y1655-L1659 HydrophobicContact CE2-CG 3.92Å; Y1655-L1659 HydrophobicContact CG-CD1 4.2Å; Y1655-L1659 WeakPolarHBondContact O-CB 3.32Å; Y1655-L1659 VanDerWaalsContact O-CG 3.29Å; Y1655-L1659 WeakPolarHBondContact O-CG 3.48Å; Y1655-L1659 PolarHBondContact O-N 3.05Å; L1656-L1659 HydrophobicContact CD2-CD1 4.46Å; L1659-W1662 HydrophobicContact CD2-CE3 4.4Å; L1659-W1662 PolarHBondContact O-N 3.02Å; L1659-A1663 VanDerWaalsContact O-CB 3.28Å; L1659-A1663 WeakPolarHBondContact O-CB 3.22Å; L1659-A1663 PolarHBondContact O-N 3.32Å; L1659-V1707 HydrophobicContact CB-CG1 3.79Å; L1659-V1707 HydrophobicContact CD2-CG1 3.99Å; L1659-V1707 HydrophobicContact CG-CG1 4.37Å |
| 1660 | E | 94 | Very high | 91.8 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.8 | -36.6 | 176.7 | -173.5 | 58.7 | -133.9 | 0 | 0 | 111.7 | L1656 A1663 S1664 R1708 | L1656-E1660 WeakPolarHBondContact O-CB 3.26Å; L1656-E1660 PolarHBondContact O-N 3.35Å; E1660-A1663 CarbonylContact O-C 3.54Å; E1660-A1663 PolarHBondContact O-N 2.78Å; E1660-S1664 WeakPolarHBondContact O-CB 3.31Å; E1660-S1664 PolarHBondContact O-N 3.45Å; E1660-R1708 IonicContact OE1-CZ 3.46Å; E1660-R1708 IonicContact OE1-NE 2.64Å; E1660-R1708 PolarHBondContact OE1-NE 3.4Å; E1660-R1708 IonicContact OE1-NH2 2.71Å; E1660-R1708 PolarHBondContact OE1-NH2 3.39Å; E1660-R1708 WeakPolarHBondContact OE2-CG 3.36Å; E1660-R1708 IonicContact OE2-NE 2.69Å; E1660-R1708 PolarHBondContact OE2-NE 3.35Å |
| 1661 | N | 92.6 | Very high | 91.6 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.1 | -50.9 | 170.5 | 175.9 | 58.8 | 0 | 0 | 0 | 110.6 | C1657 L1658 A1663 S1664 | C1657-N1661 VanDerWaalsContact O-CB 3.24Å; C1657-N1661 WeakPolarHBondContact O-CB 3.35Å; C1657-N1661 PolarHBondContact O-N 2.75Å; L1658-N1661 PolarHBondContact O-N 2.89Å; N1661-A1663 PolarHBondContact O-N 2.8Å; N1661-S1664 WeakPolarHBondContact O-CB 3.46Å; N1661-S1664 PolarHBondContact O-N 3.36Å; N1661-S1664 PolarHBondContact O-OG 3.37Å |
| 1662 | W | 94.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 56 Ų | 56 | 2% | 0.023 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.9 | -65 | -7.3 | 0 | 0 | 0 | 112.6 | E1514 V1622 L1658 L1659 S1664 L1665 P1692 F1694 L1696 V1699 F1703 | E1514-W1662 HydrophobicContact CB-CH2 4.18Å; V1622-W1662 HydrophobicContact CG1-CE3 4.05Å; V1622-W1662 HydrophobicContact CG1-CZ3 4.09Å; V1622-W1662 HydrophobicContact CG2-CE3 4.23Å; V1622-W1662 HydrophobicContact CG2-CZ3 3.8Å; L1658-W1662 HydrophobicContact CD1-CD2 4.47Å; L1658-W1662 HydrophobicContact CD1-CZ2 3.67Å; L1658-W1662 HydrophobicContact CD2-CH2 3.8Å; L1658-W1662 HydrophobicContact CD2-CZ2 3.64Å; L1658-W1662 HydrophobicContact CD2-CZ3 4.48Å; L1658-W1662 HydrophobicContact CG-CD2 4.15Å; L1658-W1662 HydrophobicContact CG-CH2 4.08Å; L1658-W1662 HydrophobicContact CG-CZ2 3.59Å; L1658-W1662 VanDerWaalsContact O-CG 3.22Å; L1658-W1662 PolarHBondContact O-N 3.2Å; L1659-W1662 HydrophobicContact CD2-CE3 4.4Å; L1659-W1662 PolarHBondContact O-N 3.02Å; W1662-S1664 PolarHBondContact O-N 3.1Å; W1662-L1665 PolarHBondContact O-N 3.29Å; W1662-P1692 HydrophobicContact CG-CG 4.33Å; W1662-F1694 HydrophobicContact CE3-CZ 4.35Å; W1662-F1694 AromaticContact CH2-CE1 3.76Å; W1662-F1694 HydrophobicContact CH2-CE1 3.76Å; W1662-F1694 AromaticContact CH2-CZ 3.56Å; W1662-F1694 HydrophobicContact CH2-CZ 3.56Å; W1662-F1694 AromaticContact CZ2-CE1 3.69Å; W1662-F1694 HydrophobicContact CZ2-CE1 3.69Å; W1662-F1694 AromaticContact CZ2-CZ 3.79Å; W1662-F1694 HydrophobicContact CZ2-CZ 3.79Å; W1662-F1694 AromaticContact CZ3-CZ 3.87Å; W1662-F1694 HydrophobicContact CZ3-CZ 3.87Å; W1662-L1696 HydrophobicContact CB-CD2 3.98Å; W1662-L1696 HydrophobicContact CD2-CD2 3.93Å; W1662-L1696 HydrophobicContact CE3-CD2 4.01Å; W1662-L1696 HydrophobicContact CG-CD2 3.95Å; W1662-V1699 WeakPolarHBondContact O-CG2 3.36Å; W1662-F1703 HydrophobicContact CB-CE1 4.41Å; W1662-F1703 HydrophobicContact CB-CZ 4.42Å |
| 1663 | A | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.6 | -5.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | L1659 E1660 N1661 F1703 Q1704 V1707 R1708 | L1659-A1663 VanDerWaalsContact O-CB 3.28Å; L1659-A1663 WeakPolarHBondContact O-CB 3.22Å; L1659-A1663 PolarHBondContact O-N 3.32Å; E1660-A1663 CarbonylContact O-C 3.54Å; E1660-A1663 PolarHBondContact O-N 2.78Å; N1661-A1663 PolarHBondContact O-N 2.8Å; A1663-F1703 HydrophobicContact CB-CE1 4.46Å; A1663-Q1704 VanDerWaalsContact O-CG 3.28Å; A1663-Q1704 WeakPolarHBondContact O-CG 3.48Å; A1663-Q1704 PolarHBondContact O-OE1 2.61Å; A1663-V1707 HydrophobicContact CB-CB 4.45Å; A1663-V1707 HydrophobicContact CB-CG1 4.16Å; A1663-R1708 HydrophobicContact CB-CG 4.48Å; A1663-R1708 PolarHBondContact O-NH1 2.76Å; A1663-R1708 PolarHBondContact O-NH2 3.24Å |
| 1664 | S | 92.9 | Very high | 90.9 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -92.3 | -14.2 | 171.8 | 77.3 | 0 | 0 | 0 | 0 | 113.8 | E1660 N1661 W1662 D1666 E1669 | E1660-S1664 WeakPolarHBondContact O-CB 3.31Å; E1660-S1664 PolarHBondContact O-N 3.45Å; N1661-S1664 WeakPolarHBondContact O-CB 3.46Å; N1661-S1664 PolarHBondContact O-N 3.36Å; N1661-S1664 PolarHBondContact O-OG 3.37Å; W1662-S1664 PolarHBondContact O-N 3.1Å; S1664-D1666 PolarHBondContact O-N 3.18Å; S1664-E1669 WeakPolarHBondContact O-CB 3.48Å |
| 1665 | L | 92 | Very high | 90.4 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | trans | -82.4 | 53.7 | -174.3 | -60.2 | 175.1 | 0 | 0 | 0 | 113.1 | W1662 E1669 I1673 L1691 P1692 P1697 P1698 V1699 | W1662-L1665 PolarHBondContact O-N 3.29Å; L1665-E1669 HydrophobicContact CD2-CG 4.43Å; L1665-I1673 HydrophobicContact CD2-CD1 3.48Å; L1665-I1673 VanDerWaalsContact CD2-CD1 3.48Å; L1665-L1691 HydrophobicContact CD1-CD2 4.02Å; L1665-L1691 HydrophobicContact CD2-CD2 3.98Å; L1665-P1692 VanDerWaalsContact CD1-CD 3.49Å; L1665-P1692 HydrophobicContact CD1-CG 4.08Å; L1665-P1697 HydrophobicContact CB-CB 3.76Å; L1665-P1697 HydrophobicContact CD1-CB 4.16Å; L1665-P1697 HydrophobicContact CD1-CG 4.24Å; L1665-P1698 WeakPolarHBondContact O-CA 3.49Å; L1665-V1699 PolarHBondContact O-N 3.5Å | ||
| 1666 | D | 90.5 | Very high | 89.8 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | trans | -66.7 | -179.8 | 176.8 | 82.7 | 7.7 | 0 | 0 | 0 | 112.5 | S1664 V1668 E1669 Y1670 | S1664-D1666 PolarHBondContact O-N 3.18Å; D1666-V1668 PolarHBondContact O-N 3.2Å; D1666-V1668 WeakPolarHBondContact OD1-CA 3.41Å; D1666-V1668 WeakPolarHBondContact OD1-CB 3.23Å; D1666-V1668 PolarHBondContact OD1-N 3.48Å; D1666-E1669 PolarHBondContact O-N 3.06Å; D1666-E1669 PolarHBondContact OD1-N 3.21Å; D1666-Y1670 WeakPolarHBondContact O-CB 3.32Å; D1666-Y1670 PolarHBondContact O-N 2.86Å | ||
| 1667 | S | 88.3 | Confident | 88.8 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 55% | 0.552 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.9 | -28.7 | 179.7 | -71.4 | 0 | 0 | 0 | 0 | 114.6 | G1671 | S1667-G1671 PolarHBondContact O-N 2.97Å |
| 1668 | V | 89.2 | Confident | 87.5 | Confident | 113 Ų | 113 | 57.4 Ų | 57.4 | 69% | 0.685 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -83.2 | -47.4 | 180 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | D1666 G1671 R1672 | D1666-V1668 PolarHBondContact O-N 3.2Å; D1666-V1668 WeakPolarHBondContact OD1-CA 3.41Å; D1666-V1668 WeakPolarHBondContact OD1-CB 3.23Å; D1666-V1668 PolarHBondContact OD1-N 3.48Å; V1668-G1671 PolarHBondContact O-N 2.93Å; V1668-R1672 WeakPolarHBondContact O-CB 3.3Å; V1668-R1672 PolarHBondContact O-N 2.77Å |
| 1669 | E | 88.1 | Confident | 86.2 | Confident | 43 Ų | 43 | 60 Ų | 60 | 20% | 0.201 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.3 | -41.4 | -177.3 | -178.1 | 59.5 | -170.7 | 0 | 0 | 112 | S1664 L1665 D1666 G1671 R1672 I1673 | S1664-E1669 WeakPolarHBondContact O-CB 3.48Å; L1665-E1669 HydrophobicContact CD2-CG 4.43Å; D1666-E1669 PolarHBondContact O-N 3.06Å; D1666-E1669 PolarHBondContact OD1-N 3.21Å; E1669-G1671 VanDerWaalsContact C-N 3.31Å; E1669-G1671 PolarHBondContact O-N 2.95Å; E1669-R1672 WeakPolarHBondContact O-CB 3.23Å; E1669-R1672 PolarHBondContact O-N 3.48Å; E1669-R1672 IonicContact OE1-CZ 3.43Å; E1669-R1672 IonicContact OE1-NE 3.4Å; E1669-R1672 PolarHBondContact OE1-NE 3.25Å; E1669-R1672 IonicContact OE1-NH2 2.66Å; E1669-R1672 PolarHBondContact OE1-NH2 2.88Å; E1669-R1672 IonicContact OE2-CZ 3.55Å; E1669-R1672 IonicContact OE2-NE 2.73Å; E1669-R1672 PolarHBondContact OE2-NE 2.81Å; E1669-R1672 IonicContact OE2-NH2 3.53Å; E1669-I1673 HydrophobicContact CG-CD1 4.02Å; E1669-I1673 WeakPolarHBondContact O-CG1 3.49Å; E1669-I1673 PolarHBondContact O-N 3.06Å |
| 1670 | Y | 88.3 | Confident | 84.3 | Confident | 51 Ų | 51 | 63 Ų | 63 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 170.7 | 176.8 | -112 | 0 | 0 | 0 | 111.4 | D1666 R1672 I1673 K1674 L1691 P1697 P1698 | D1666-Y1670 WeakPolarHBondContact O-CB 3.32Å; D1666-Y1670 PolarHBondContact O-N 2.86Å; Y1670-R1672 PolarHBondContact O-N 3.15Å; Y1670-I1673 PolarHBondContact O-N 3.05Å; Y1670-K1674 HydrophobicContact CE1-CD 3.87Å; Y1670-K1674 WeakPolarHBondContact O-CB 3.17Å; Y1670-K1674 PolarHBondContact O-N 3.02Å; Y1670-K1674 PolarHBondContact OH-NZ 2.97Å; Y1670-L1691 HydrophobicContact CD2-CD2 4.1Å; Y1670-L1691 HydrophobicContact CE2-CD1 4.37Å; Y1670-L1691 HydrophobicContact CE2-CD2 4.46Å; Y1670-P1697 HydrophobicContact CD2-CB 3.59Å; Y1670-P1697 HydrophobicContact CD2-CG 3.71Å; Y1670-P1697 HydrophobicContact CE2-CB 4.12Å; Y1670-P1697 HydrophobicContact CE2-CG 3.79Å; Y1670-P1697 HydrophobicContact CG-CB 3.99Å; Y1670-P1698 HydrophobicContact CD1-CB 4Å; Y1670-P1698 HydrophobicContact CD1-CG 4.22Å; Y1670-P1698 HydrophobicContact CG-CB 4.31Å |
| 1671 | G | 87.3 | Confident | 82.1 | Confident | 37 Ų | 37 | 65 Ų | 65 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1667 V1668 E1669 A1675 | S1667-G1671 PolarHBondContact O-N 2.97Å; V1668-G1671 PolarHBondContact O-N 2.93Å; E1669-G1671 VanDerWaalsContact C-N 3.31Å; E1669-G1671 PolarHBondContact O-N 2.95Å; G1671-A1675 WeakPolarHBondContact O-CB 3.08Å; G1671-A1675 PolarHBondContact O-N 2.96Å |
| 1672 | R | 87.9 | Confident | 80 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 176.5 | -168.8 | -172.9 | 73.1 | 82.2 | -1.2 | 111.9 | V1668 E1669 Y1670 A1675 I1676 | V1668-R1672 WeakPolarHBondContact O-CB 3.3Å; V1668-R1672 PolarHBondContact O-N 2.77Å; E1669-R1672 WeakPolarHBondContact O-CB 3.23Å; E1669-R1672 PolarHBondContact O-N 3.48Å; E1669-R1672 IonicContact OE1-CZ 3.43Å; E1669-R1672 IonicContact OE1-NE 3.4Å; E1669-R1672 PolarHBondContact OE1-NE 3.25Å; E1669-R1672 IonicContact OE1-NH2 2.66Å; E1669-R1672 PolarHBondContact OE1-NH2 2.88Å; E1669-R1672 IonicContact OE2-CZ 3.55Å; E1669-R1672 IonicContact OE2-NE 2.73Å; E1669-R1672 PolarHBondContact OE2-NE 2.81Å; E1669-R1672 IonicContact OE2-NH2 3.53Å; Y1670-R1672 PolarHBondContact O-N 3.15Å; R1672-A1675 PolarHBondContact O-N 2.93Å; R1672-I1676 HydrophobicContact CG-CD1 4.39Å; R1672-I1676 WeakPolarHBondContact O-CG1 3.38Å; R1672-I1676 PolarHBondContact O-N 3.43Å |
| 1673 | I | 84.7 | Confident | 77.4 | Confident | 21 Ų | 21 | 73.1 Ų | 73.1 | 11% | 0.108 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | -179.7 | -65.3 | 165.5 | 0 | 0 | 0 | 110.7 | L1665 E1669 Y1670 A1675 I1676 D1677 L1691 | L1665-I1673 HydrophobicContact CD2-CD1 3.48Å; L1665-I1673 VanDerWaalsContact CD2-CD1 3.48Å; E1669-I1673 HydrophobicContact CG-CD1 4.02Å; E1669-I1673 WeakPolarHBondContact O-CG1 3.49Å; E1669-I1673 PolarHBondContact O-N 3.06Å; Y1670-I1673 PolarHBondContact O-N 3.05Å; I1673-A1675 VanDerWaalsContact C-N 3.33Å; I1673-A1675 PolarHBondContact O-N 3.05Å; I1673-I1676 PolarHBondContact O-N 3.17Å; I1673-I1676 VanDerWaalsContact O-N 3.13Å; I1673-D1677 PolarHBondContact O-N 3.22Å; I1673-L1691 HydrophobicContact CD1-CD2 4.29Å; I1673-L1691 HydrophobicContact CG2-CD1 3.98Å; I1673-L1691 HydrophobicContact CG2-CD2 4Å; I1673-L1691 HydrophobicContact CG2-CG 3.96Å |
| 1674 | K | 83 | Confident | 74.9 | Confident | 96 Ų | 96 | 81.4 Ų | 81.4 | 42% | 0.417 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 178.8 | -165 | 168.7 | -168.3 | 165 | 0 | 112.4 | Y1670 Q1678 | Y1670-K1674 HydrophobicContact CE1-CD 3.87Å; Y1670-K1674 WeakPolarHBondContact O-CB 3.17Å; Y1670-K1674 PolarHBondContact O-N 3.02Å; Y1670-K1674 PolarHBondContact OH-NZ 2.97Å; K1674-Q1678 WeakPolarHBondContact O-CG 3.33Å; K1674-Q1678 PolarHBondContact O-N 3.13Å |
| 1675 | A | 83.3 | Confident | 72.2 | Confident | 55 Ų | 55 | 85.6 Ų | 85.6 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.6 | -32.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1671 R1672 I1673 S1679 | G1671-A1675 WeakPolarHBondContact O-CB 3.08Å; G1671-A1675 PolarHBondContact O-N 2.96Å; R1672-A1675 PolarHBondContact O-N 2.93Å; I1673-A1675 VanDerWaalsContact C-N 3.33Å; I1673-A1675 PolarHBondContact O-N 3.05Å; A1675-S1679 WeakPolarHBondContact O-CB 3.09Å; A1675-S1679 PolarHBondContact O-N 2.61Å; A1675-S1679 PolarHBondContact O-OG 3.34Å |
| 1676 | I | 81.3 | Confident | 69.6 | Low | 81 Ų | 81 | 94.5 Ų | 94.5 | 42% | 0.415 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.4 | -49.4 | 174.6 | -69 | 164.2 | 0 | 0 | 0 | 110.2 | R1672 I1673 Q1678 S1679 S1680 | R1672-I1676 HydrophobicContact CG-CD1 4.39Å; R1672-I1676 WeakPolarHBondContact O-CG1 3.38Å; R1672-I1676 PolarHBondContact O-N 3.43Å; I1673-I1676 PolarHBondContact O-N 3.17Å; I1673-I1676 VanDerWaalsContact O-N 3.13Å; I1676-Q1678 VanDerWaalsContact C-N 3.25Å; I1676-Q1678 PolarHBondContact O-N 3.41Å; I1676-S1679 PolarHBondContact O-N 2.79Å; I1676-S1679 PolarHBondContact O-OG 2.88Å; I1676-S1679 VanDerWaalsContact O-OG 3.08Å; I1676-S1680 PolarHBondContact O-N 3.27Å; I1676-S1680 PolarHBondContact O-OG 3.33Å |
| 1677 | D | 72 | Confident | 67.3 | Low | 94 Ų | 94 | 101.3 Ų | 101.3 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.7 | -29.5 | -176.3 | -142.2 | 39.9 | 0 | 0 | 0 | 112.6 | I1673 S1679 K1688 | I1673-D1677 PolarHBondContact O-N 3.22Å; D1677-S1679 VanDerWaalsContact C-N 3.33Å; D1677-K1688 IonicContact OD1-NZ 2.61Å; D1677-K1688 PolarHBondContact OD1-NZ 3.3Å; D1677-K1688 IonicContact OD2-NZ 3.8Å |
| 1678 | Q | 67 | Low | 65.4 | Low | 161 Ų | 161 | 104 Ų | 104 | 75% | 0.752 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -18.8 | 171.2 | -73.5 | 179.5 | -6.8 | 0 | 0 | 114.5 | K1674 I1676 | K1674-Q1678 WeakPolarHBondContact O-CG 3.33Å; K1674-Q1678 PolarHBondContact O-N 3.13Å; I1676-Q1678 VanDerWaalsContact C-N 3.25Å; I1676-Q1678 PolarHBondContact O-N 3.41Å |
| 1679 | S | 65.1 | Low | 63.9 | Low | 89 Ų | 89 | 103.5 Ų | 103.5 | 62% | 0.622 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -18 | -174.4 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | A1675 I1676 D1677 S1681 | A1675-S1679 WeakPolarHBondContact O-CB 3.09Å; A1675-S1679 PolarHBondContact O-N 2.61Å; A1675-S1679 PolarHBondContact O-OG 3.34Å; I1676-S1679 PolarHBondContact O-N 2.79Å; I1676-S1679 PolarHBondContact O-OG 2.88Å; I1676-S1679 VanDerWaalsContact O-OG 3.08Å; D1677-S1679 VanDerWaalsContact C-N 3.33Å; S1679-S1681 PolarHBondContact O-N 3.29Å |
| 1680 | S | 54.1 | Low | 62.9 | Low | 61 Ų | 61 | 107.6 Ų | 107.6 | 43% | 0.427 | 59% | 0.59 | S | S | . | * | trans | -98.7 | 67.8 | -175.9 | 64.6 | 0 | 0 | 0 | 0 | 114.4 | I1676 S1682 | I1676-S1680 PolarHBondContact O-N 3.27Å; I1676-S1680 PolarHBondContact O-OG 3.33Å; S1680-S1682 PolarHBondContact O-N 3.29Å; S1680-S1682 VanDerWaalsContact O-N 3.12Å | ||
| 1681 | S | 49.1 | Very low | 62.7 | Low | 125 Ų | 125 | 108 Ų | 108 | 87% | 0.874 | 60% | 0.595 | S | S | * | * | trans | -77.5 | 17.2 | 178.1 | 60.3 | 0 | 0 | 0 | 0 | 115.4 | S1679 | S1679-S1681 PolarHBondContact O-N 3.29Š| ||
| 1682 | S | 48.6 | Very low | 62.7 | Low | 94 Ų | 94 | 107.1 Ų | 107.1 | 66% | 0.657 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -146.3 | 122.9 | 176.1 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | S1680 L1684 | S1680-S1682 PolarHBondContact O-N 3.29Å; S1680-S1682 VanDerWaalsContact O-N 3.12Å; S1682-L1684 PolarHBondContact O-N 3.26Å |
| 1683 | S | 39.4 | Very low | 62.7 | Low | 115 Ų | 115 | 109.7 Ų | 109.7 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | trans | 3.4 | 102 | 158.6 | 56.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1684 | L | 41.3 | Very low | 63.1 | Low | 175 Ų | 175 | 109 Ų | 109 | 92% | 0.916 | 59% | 0.594 | S | S | * | * | trans | -134.2 | 141.6 | 140.6 | -79.4 | -179.9 | 0 | 0 | 0 | 109.7 | S1682 | S1682-L1684 PolarHBondContact O-N 3.26Š| ||
| 1685 | T | 34.8 | Very low | 63.5 | Low | 131 Ų | 131 | 106.6 Ų | 106.6 | 80% | 0.804 | 59% | 0.588 | S | S | * | * | trans | -109.1 | 99.4 | -179.1 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1686 | E | 37.7 | Very low | 64 | Low | 190 Ų | 190 | 104 Ų | 104 | 89% | 0.888 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -163.3 | 167.7 | 160.6 | -108.8 | 147 | -146.6 | 0 | 0 | 108 | K1688 | E1686-K1688 PolarHBondContact O-N 3.29Š|
| 1687 | E | 43 | Very low | 64.5 | Low | 197 Ų | 197 | 100.8 Ų | 100.8 | 92% | 0.921 | 55% | 0.551 | S | S | * | * | trans | -47.3 | 97 | -162.3 | -62.8 | 176.4 | 130 | 0 | 0 | 114.5 | L1689 | E1687-L1689 PolarHBondContact O-N 2.8Š| ||
| 1688 | K | 49.3 | Very low | 65.4 | Low | 135 Ų | 135 | 98.3 Ų | 98.3 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | trans | -61.7 | 122.6 | 166 | -98 | -160.8 | 168.4 | -163.7 | 0 | 108.2 | D1677 E1686 L1690 | D1677-K1688 IonicContact OD1-NZ 2.61Å; D1677-K1688 PolarHBondContact OD1-NZ 3.3Å; D1677-K1688 IonicContact OD2-NZ 3.8Å; E1686-K1688 PolarHBondContact O-N 3.29Å; K1688-L1690 HydrophobicContact CB-CD2 4.41Å; K1688-L1690 HydrophobicContact CB-CG 4.42Å; K1688-L1690 PolarHBondContact O-N 3.17Å | ||
| 1689 | L | 56.7 | Low | 66.7 | Low | 104 Ų | 104 | 90.9 Ų | 90.9 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | trans | -60.1 | 93.4 | 156.5 | -73.8 | 163.6 | 0 | 0 | 0 | 107.2 | E1687 L1691 | E1687-L1689 PolarHBondContact O-N 2.8Å; L1689-L1691 PolarHBondContact O-N 3.02Å | ||
| 1690 | L | 66.6 | Low | 68.1 | Low | 129 Ų | 129 | 86.9 Ų | 86.9 | 68% | 0.675 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 116.1 | -175.6 | -76.7 | 165 | 0 | 0 | 0 | 108.9 | K1688 | K1688-L1690 HydrophobicContact CB-CD2 4.41Å; K1688-L1690 HydrophobicContact CB-CG 4.42Å; K1688-L1690 PolarHBondContact O-N 3.17Å |
| 1691 | L | 83.7 | Confident | 69.9 | Low | 58 Ų | 58 | 87.7 Ų | 87.7 | 30% | 0.304 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 147.8 | 165.1 | -68 | 174.3 | 0 | 0 | 0 | 109.5 | L1665 Y1670 I1673 L1689 P1697 | L1665-L1691 HydrophobicContact CD1-CD2 4.02Å; L1665-L1691 HydrophobicContact CD2-CD2 3.98Å; Y1670-L1691 HydrophobicContact CD2-CD2 4.1Å; Y1670-L1691 HydrophobicContact CE2-CD1 4.37Å; Y1670-L1691 HydrophobicContact CE2-CD2 4.46Å; I1673-L1691 HydrophobicContact CD1-CD2 4.29Å; I1673-L1691 HydrophobicContact CG2-CD1 3.98Å; I1673-L1691 HydrophobicContact CG2-CD2 4Å; I1673-L1691 HydrophobicContact CG2-CG 3.96Å; L1689-L1691 PolarHBondContact O-N 3.02Å; L1691-P1697 HydrophobicContact CD2-CG 4.42Å |
| 1692 | P | 88.2 | Confident | 72 | Confident | 20 Ų | 20 | 81.8 Ų | 81.8 | 13% | 0.13 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -52 | 144 | 171.1 | -26 | 35.1 | 0 | 0 | 0 | 111.4 | W1662 L1665 F1694 L1696 | W1662-P1692 HydrophobicContact CG-CG 4.33Å; L1665-P1692 VanDerWaalsContact CD1-CD 3.49Å; L1665-P1692 HydrophobicContact CD1-CG 4.08Å; P1692-F1694 HydrophobicContact CB-CD1 3.92Å; P1692-F1694 HydrophobicContact CB-CE1 3.86Å; P1692-F1694 HydrophobicContact CB-CG 4.32Å; P1692-F1694 HydrophobicContact CB-CZ 4.2Å; P1692-F1694 PolarHBondContact O-N 2.95Å; P1692-L1696 HydrophobicContact CB-CB 4.4Å; P1692-L1696 HydrophobicContact CG-CB 4.32Å; P1692-L1696 HydrophobicContact CG-CD2 4.09Å |
| 1693 | K | 88.4 | Confident | 74.2 | Confident | 172 Ų | 172 | 77.3 Ų | 77.3 | 75% | 0.748 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -77 | -1 | 174.8 | -59.6 | -173.5 | -169.5 | 166.1 | 0 | 113.3 | ||
| 1694 | F | 92.5 | Very high | 76.8 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 4% | 0.035 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -124.4 | 154.7 | -179 | 59.3 | -84.2 | 0 | 0 | 0 | 109.7 | G1510 T1511 P1512 S1592 N1618 V1622 W1662 P1692 L1696 | G1510-F1694 WeakPolarHBondContact O-CD1 3.32Å; T1511-F1694 WeakPolarHBondContact O-CE1 3.26Å; P1512-F1694 HydrophobicContact CB-CD2 4.27Å; P1512-F1694 HydrophobicContact CB-CE2 3.78Å; P1512-F1694 HydrophobicContact CB-CZ 4.16Å; S1592-F1694 WeakPolarHBondContact O-CB 3.23Å; N1618-F1694 HydrophobicContact CB-CD2 4.13Å; N1618-F1694 HydrophobicContact CB-CE2 4.3Å; V1622-F1694 HydrophobicContact CG2-CE2 4.41Å; V1622-F1694 HydrophobicContact CG2-CZ 4.4Å; W1662-F1694 HydrophobicContact CE3-CZ 4.35Å; W1662-F1694 AromaticContact CH2-CE1 3.76Å; W1662-F1694 HydrophobicContact CH2-CE1 3.76Å; W1662-F1694 AromaticContact CH2-CZ 3.56Å; W1662-F1694 HydrophobicContact CH2-CZ 3.56Å; W1662-F1694 AromaticContact CZ2-CE1 3.69Å; W1662-F1694 HydrophobicContact CZ2-CE1 3.69Å; W1662-F1694 AromaticContact CZ2-CZ 3.79Å; W1662-F1694 HydrophobicContact CZ2-CZ 3.79Å; W1662-F1694 AromaticContact CZ3-CZ 3.87Å; W1662-F1694 HydrophobicContact CZ3-CZ 3.87Å; P1692-F1694 HydrophobicContact CB-CD1 3.92Å; P1692-F1694 HydrophobicContact CB-CE1 3.86Å; P1692-F1694 HydrophobicContact CB-CG 4.32Å; P1692-F1694 HydrophobicContact CB-CZ 4.2Å; P1692-F1694 PolarHBondContact O-N 2.95Å; F1694-L1696 HydrophobicContact CD2-CB 3.93Å; F1694-L1696 HydrophobicContact CE2-CB 3.68Å; F1694-L1696 HydrophobicContact CE2-CD1 4.34Å; F1694-L1696 HydrophobicContact CE2-CD2 3.81Å; F1694-L1696 HydrophobicContact CE2-CG 4.14Å; F1694-L1696 HydrophobicContact CZ-CB 4.48Å; F1694-L1696 HydrophobicContact CZ-CD2 3.95Å; F1694-L1696 PolarHBondContact O-N 3.36Å; F1694-L1696 VanDerWaalsContact O-N 3.12Å |
| 1695 | P | 92.3 | Very high | 79.2 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 29% | 0.286 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -65.6 | 114.9 | 176.5 | 25.7 | -31.4 | 0 | 0 | 0 | 110 | E1593 R1615 N1618 | E1593-P1695 HydrophobicContact CG-CG 3.76Å; E1593-P1695 VanDerWaalsContact OE1-CG 3.32Å; E1593-P1695 WeakPolarHBondContact OE1-CG 3.28Å; R1615-P1695 HydrophobicContact CB-CB 4.33Å; R1615-P1695 HydrophobicContact CG-CB 4.33Å; N1618-P1695 WeakPolarHBondContact CB-O 3.28Å; N1618-P1695 PolarHBondContact ND2-O 3.38Å |
| 1696 | L | 93 | Very high | 81.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -144 | -55.6 | 177.3 | 178.6 | 69.4 | 0 | 0 | 0 | 109.9 | R1615 N1618 E1619 W1662 P1692 F1694 V1699 F1703 | R1615-L1696 WeakPolarHBondContact CD-O 3.06Å; R1615-L1696 WeakPolarHBondContact CG-O 3.39Å; R1615-L1696 PolarHBondContact NH1-O 2.99Å; N1618-L1696 HydrophobicContact CB-CD1 4.42Å; E1619-L1696 HydrophobicContact CB-CD1 4.33Å; E1619-L1696 HydrophobicContact CG-CD1 3.6Å; W1662-L1696 HydrophobicContact CB-CD2 3.98Å; W1662-L1696 HydrophobicContact CD2-CD2 3.93Å; W1662-L1696 HydrophobicContact CE3-CD2 4.01Å; W1662-L1696 HydrophobicContact CG-CD2 3.95Å; P1692-L1696 HydrophobicContact CB-CB 4.4Å; P1692-L1696 HydrophobicContact CG-CB 4.32Å; P1692-L1696 HydrophobicContact CG-CD2 4.09Å; F1694-L1696 HydrophobicContact CD2-CB 3.93Å; F1694-L1696 HydrophobicContact CE2-CB 3.68Å; F1694-L1696 HydrophobicContact CE2-CD1 4.34Å; F1694-L1696 HydrophobicContact CE2-CD2 3.81Å; F1694-L1696 HydrophobicContact CE2-CG 4.14Å; F1694-L1696 HydrophobicContact CZ-CB 4.48Å; F1694-L1696 HydrophobicContact CZ-CD2 3.95Å; F1694-L1696 PolarHBondContact O-N 3.36Å; F1694-L1696 VanDerWaalsContact O-N 3.12Å; L1696-V1699 HydrophobicContact CD1-CG1 4.37Å; L1696-V1699 HydrophobicContact CG-CG1 3.9Å; L1696-F1703 HydrophobicContact CD1-CE2 4.16Å; L1696-F1703 HydrophobicContact CD1-CZ 4.16Å; L1696-F1703 HydrophobicContact CD2-CZ 4.17Å | ||
| 1697 | P | 91.2 | Very high | 84.6 | Confident | 15 Ų | 15 | 53 Ų | 53 | 10% | 0.097 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 151.8 | 176.8 | 34.5 | -39 | 0 | 0 | 0 | 112.4 | L1665 Y1670 L1691 | L1665-P1697 HydrophobicContact CB-CB 3.76Å; L1665-P1697 HydrophobicContact CD1-CB 4.16Å; L1665-P1697 HydrophobicContact CD1-CG 4.24Å; Y1670-P1697 HydrophobicContact CD2-CB 3.59Å; Y1670-P1697 HydrophobicContact CD2-CG 3.71Å; Y1670-P1697 HydrophobicContact CE2-CB 4.12Å; Y1670-P1697 HydrophobicContact CE2-CG 3.79Å; Y1670-P1697 HydrophobicContact CG-CB 3.99Å; L1691-P1697 HydrophobicContact CD2-CG 4.42Å |
| 1698 | P | 92 | Very high | 87 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | S | Bend | cis | -75 | 130.4 | 2.6 | 31.2 | -34 | 0 | 0 | 0 | 111.9 | R1615 L1665 Y1670 | R1615-P1698 PolarHBondContact NH1-O 2.98Å; L1665-P1698 WeakPolarHBondContact O-CA 3.49Å; Y1670-P1698 HydrophobicContact CD1-CB 4Å; Y1670-P1698 HydrophobicContact CD1-CG 4.22Å; Y1670-P1698 HydrophobicContact CG-CB 4.31Å |
| 1699 | V | 93.6 | Very high | 89 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -81.6 | 140.9 | -172.6 | -58.2 | 0 | 0 | 0 | 0 | 113.2 | E1619 W1662 L1665 L1696 F1703 Q1704 | E1619-V1699 VanDerWaalsContact OE1-CA 3.25Å; E1619-V1699 WeakPolarHBondContact OE1-CA 3.43Å; W1662-V1699 WeakPolarHBondContact O-CG2 3.36Å; L1665-V1699 PolarHBondContact O-N 3.5Å; L1696-V1699 HydrophobicContact CD1-CG1 4.37Å; L1696-V1699 HydrophobicContact CG-CG1 3.9Å; V1699-F1703 HydrophobicContact CB-CD1 3.59Å; V1699-F1703 HydrophobicContact CB-CE1 4.09Å; V1699-F1703 HydrophobicContact CB-CG 4.34Å; V1699-F1703 HydrophobicContact CG1-CD1 3.85Å; V1699-F1703 HydrophobicContact CG1-CE1 3.84Å; V1699-F1703 HydrophobicContact CG2-CD1 3.91Å; V1699-F1703 HydrophobicContact CG2-CE1 4.34Å; V1699-Q1704 HydrophobicContact CG2-CG 3.79Å |
| 1700 | S | 94.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 153.5 | 176.8 | 75.3 | 0 | 0 | 0 | 0 | 112 | E1619 G1702 F1703 Q1704 | E1619-S1700 PolarHBondContact OE1-N 3.38Å; E1619-S1700 WeakPolarHBondContact OE2-CB 3.17Å; E1619-S1700 PolarHBondContact OE2-OG 3.16Å; S1700-G1702 PolarHBondContact O-N 2.98Å; S1700-F1703 PolarHBondContact O-N 3.07Å; S1700-F1703 VanDerWaalsContact OG-CB 3.32Å; S1700-F1703 WeakPolarHBondContact OG-CB 3.3Å; S1700-F1703 PolarHBondContact OG-N 3.19Å; S1700-Q1704 WeakPolarHBondContact O-CG 2.91Å; S1700-Q1704 PolarHBondContact O-N 3.33Å; S1700-Q1704 VanDerWaalsContact O-N 3.12Å |
| 1701 | K | 93.2 | Very high | 91.8 | Very high | 79 Ų | 79 | 34.3 Ų | 34.3 | 34% | 0.343 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.1 | -34.5 | 174.7 | -171.4 | -176.9 | 172.7 | -167.6 | 0 | 111.3 | D848 T850 E876 Q1704 L1705 | D848-K1701 HydrophobicContact CB-CB 3.92Å; D848-K1701 PolarHBondContact O-N 3.46Å; D848-K1701 VanDerWaalsContact O-N 3.14Å; T850-K1701 HydrophobicContact CG2-CB 4.14Å; T850-K1701 HydrophobicContact CG2-CD 4.26Å; T850-K1701 HydrophobicContact CG2-CG 4.19Å; E876-K1701 VanDerWaalsContact OE1-CE 3.3Å; E876-K1701 WeakPolarHBondContact OE1-CE 3.18Å; E876-K1701 IonicContact OE1-NZ 3.3Å; E876-K1701 PolarHBondContact OE1-NZ 2.8Å; E876-K1701 WeakPolarHBondContact OE2-CE 3.47Å; E876-K1701 IonicContact OE2-NZ 2.86Å; E876-K1701 PolarHBondContact OE2-NZ 2.85Å; K1701-Q1704 WeakPolarHBondContact O-CB 3.28Å; K1701-Q1704 PolarHBondContact O-N 2.9Å; K1701-L1705 HydrophobicContact CG-CD1 4.48Å; K1701-L1705 WeakPolarHBondContact O-CG 3.38Å; K1701-L1705 PolarHBondContact O-N 2.74Å |
| 1702 | G | 92.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D848 Q849 G878 S1700 Q1704 L1705 S1706 | D848-G1702 PolarHBondContact O-N 2.71Å; Q849-G1702 VanDerWaalsContact O-CA 3.31Å; Q849-G1702 WeakPolarHBondContact O-CA 3.47Å; G878-G1702 VanDerWaalsContact CA-CA 3.47Å; S1700-G1702 PolarHBondContact O-N 2.98Å; G1702-Q1704 VanDerWaalsContact C-N 3.3Å; G1702-Q1704 PolarHBondContact O-N 3.25Å; G1702-L1705 PolarHBondContact O-N 2.9Å; G1702-S1706 WeakPolarHBondContact O-CB 3.21Å; G1702-S1706 PolarHBondContact O-N 3.47Å; G1702-S1706 PolarHBondContact O-OG 3.11Å |
| 1703 | F | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.2 | -45.9 | 172.4 | 174.4 | -95.4 | 0 | 0 | 0 | 111.7 | Y880 E1619 V1622 W1662 A1663 L1696 V1699 S1700 L1705 S1706 V1707 | Y880-F1703 HydrophobicContact CE2-CB 4.09Å; E1619-F1703 HydrophobicContact CB-CB 4.23Å; E1619-F1703 HydrophobicContact CB-CD2 3.63Å; E1619-F1703 HydrophobicContact CB-CE2 4.33Å; E1619-F1703 HydrophobicContact CB-CG 4.2Å; E1619-F1703 HydrophobicContact CG-CB 4.03Å; E1619-F1703 HydrophobicContact CG-CD2 3.77Å; E1619-F1703 HydrophobicContact CG-CE2 4.4Å; E1619-F1703 HydrophobicContact CG-CG 3.95Å; V1622-F1703 HydrophobicContact CB-CE2 3.89Å; V1622-F1703 HydrophobicContact CB-CZ 4.47Å; V1622-F1703 HydrophobicContact CG1-CE2 3.69Å; V1622-F1703 HydrophobicContact CG1-CZ 3.92Å; W1662-F1703 HydrophobicContact CB-CE1 4.41Å; W1662-F1703 HydrophobicContact CB-CZ 4.42Å; A1663-F1703 HydrophobicContact CB-CE1 4.46Å; L1696-F1703 HydrophobicContact CD1-CE2 4.16Å; L1696-F1703 HydrophobicContact CD1-CZ 4.16Å; L1696-F1703 HydrophobicContact CD2-CZ 4.17Å; V1699-F1703 HydrophobicContact CB-CD1 3.59Å; V1699-F1703 HydrophobicContact CB-CE1 4.09Å; V1699-F1703 HydrophobicContact CB-CG 4.34Å; V1699-F1703 HydrophobicContact CG1-CD1 3.85Å; V1699-F1703 HydrophobicContact CG1-CE1 3.84Å; V1699-F1703 HydrophobicContact CG2-CD1 3.91Å; V1699-F1703 HydrophobicContact CG2-CE1 4.34Å; S1700-F1703 PolarHBondContact O-N 3.07Å; S1700-F1703 VanDerWaalsContact OG-CB 3.32Å; S1700-F1703 WeakPolarHBondContact OG-CB 3.3Å; S1700-F1703 PolarHBondContact OG-N 3.19Å; F1703-L1705 PolarHBondContact O-N 3.28Å; F1703-S1706 PolarHBondContact O-N 3.43Å; F1703-V1707 HydrophobicContact CD1-CG2 4.33Å; F1703-V1707 HydrophobicContact CD2-CG2 3.9Å; F1703-V1707 HydrophobicContact CE1-CG2 4.05Å; F1703-V1707 HydrophobicContact CE2-CG2 3.58Å; F1703-V1707 HydrophobicContact CG-CG2 4.29Å; F1703-V1707 HydrophobicContact CZ-CG2 3.67Å; F1703-V1707 WeakPolarHBondContact O-CB 3.46Å; F1703-V1707 WeakPolarHBondContact O-CG2 3.24Å; F1703-V1707 PolarHBondContact O-N 3.08Å |
| 1704 | Q | 94.5 | Very high | 92.4 | Very high | 34 Ų | 34 | 28.5 Ų | 28.5 | 16% | 0.159 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.5 | -44.8 | 177.8 | -67.7 | -173.7 | 49.3 | 0 | 0 | 113.2 | A1663 V1699 S1700 K1701 G1702 R1708 | A1663-Q1704 VanDerWaalsContact O-CG 3.28Å; A1663-Q1704 WeakPolarHBondContact O-CG 3.48Å; A1663-Q1704 PolarHBondContact O-OE1 2.61Å; V1699-Q1704 HydrophobicContact CG2-CG 3.79Å; S1700-Q1704 WeakPolarHBondContact O-CG 2.91Å; S1700-Q1704 PolarHBondContact O-N 3.33Å; S1700-Q1704 VanDerWaalsContact O-N 3.12Å; K1701-Q1704 WeakPolarHBondContact O-CB 3.28Å; K1701-Q1704 PolarHBondContact O-N 2.9Å; G1702-Q1704 VanDerWaalsContact C-N 3.3Å; G1702-Q1704 PolarHBondContact O-N 3.25Å; Q1704-R1708 VanDerWaalsContact O-CB 3.31Å; Q1704-R1708 WeakPolarHBondContact O-CB 3.48Å; Q1704-R1708 VanDerWaalsContact O-CG 3.29Å; Q1704-R1708 WeakPolarHBondContact O-CG 3.18Å; Q1704-R1708 PolarHBondContact O-N 3.22Å; Q1704-R1708 VanDerWaalsContact O-N 3.08Å |
| 1705 | L | 92.2 | Very high | 92.4 | Very high | 66 Ų | 66 | 29.3 Ų | 29.3 | 35% | 0.346 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.6 | -51.3 | 176.3 | -70.8 | 170.9 | 0 | 0 | 0 | 110.5 | T850 K1701 G1702 F1703 R1708 R1709 | T850-L1705 HydrophobicContact CG2-CD1 3.89Å; K1701-L1705 HydrophobicContact CG-CD1 4.48Å; K1701-L1705 WeakPolarHBondContact O-CG 3.38Å; K1701-L1705 PolarHBondContact O-N 2.74Å; G1702-L1705 PolarHBondContact O-N 2.9Å; F1703-L1705 PolarHBondContact O-N 3.28Å; L1705-R1708 PolarHBondContact O-N 2.79Å; L1705-R1709 VanDerWaalsContact O-CB 3.3Å; L1705-R1709 WeakPolarHBondContact O-CB 3.1Å; L1705-R1709 PolarHBondContact O-N 3.36Å |
| 1706 | S | 92 | Very high | 92.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | -179.3 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | E881 G1702 F1703 H1710 | E881-S1706 VanDerWaalsContact CG-OG 3.23Å; E881-S1706 WeakPolarHBondContact CG-OG 3.3Å; E881-S1706 WeakPolarHBondContact OE1-CA 3.42Å; G1702-S1706 WeakPolarHBondContact O-CB 3.21Å; G1702-S1706 PolarHBondContact O-N 3.47Å; G1702-S1706 PolarHBondContact O-OG 3.11Å; F1703-S1706 PolarHBondContact O-N 3.43Å; S1706-H1710 WeakPolarHBondContact O-CB 3.07Å; S1706-H1710 PolarHBondContact O-N 2.88Å; S1706-H1710 PolarHBondContact O-ND1 3.41Å |
| 1707 | V | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.5 | -43.3 | -177.9 | 170 | 0 | 0 | 0 | 0 | 111.4 | V1622 L1626 L1659 A1663 F1703 S1711 | V1622-V1707 HydrophobicContact CG1-CG2 4.45Å; L1626-V1707 HydrophobicContact CD2-CB 4.47Å; L1626-V1707 HydrophobicContact CD2-CG1 4.28Å; L1626-V1707 HydrophobicContact CD2-CG2 4.49Å; L1659-V1707 HydrophobicContact CB-CG1 3.79Å; L1659-V1707 HydrophobicContact CD2-CG1 3.99Å; L1659-V1707 HydrophobicContact CG-CG1 4.37Å; A1663-V1707 HydrophobicContact CB-CB 4.45Å; A1663-V1707 HydrophobicContact CB-CG1 4.16Å; F1703-V1707 HydrophobicContact CD1-CG2 4.33Å; F1703-V1707 HydrophobicContact CD2-CG2 3.9Å; F1703-V1707 HydrophobicContact CE1-CG2 4.05Å; F1703-V1707 HydrophobicContact CE2-CG2 3.58Å; F1703-V1707 HydrophobicContact CG-CG2 4.29Å; F1703-V1707 HydrophobicContact CZ-CG2 3.67Å; F1703-V1707 WeakPolarHBondContact O-CB 3.46Å; F1703-V1707 WeakPolarHBondContact O-CG2 3.24Å; F1703-V1707 PolarHBondContact O-N 3.08Å; V1707-S1711 WeakPolarHBondContact O-CB 3.49Å; V1707-S1711 PolarHBondContact O-N 3.33Å; V1707-S1711 PolarHBondContact O-OG 2.74Å |
| 1708 | R | 94 | Very high | 92.1 | Very high | 80 Ų | 80 | 32.6 Ų | 32.6 | 30% | 0.302 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.5 | -44.9 | 179.2 | -72.3 | -177.1 | 175.6 | 113.6 | 7.6 | 112.2 | E1660 A1663 Q1704 L1705 S1711 I1712 | E1660-R1708 IonicContact OE1-CZ 3.46Å; E1660-R1708 IonicContact OE1-NE 2.64Å; E1660-R1708 PolarHBondContact OE1-NE 3.4Å; E1660-R1708 IonicContact OE1-NH2 2.71Å; E1660-R1708 PolarHBondContact OE1-NH2 3.39Å; E1660-R1708 WeakPolarHBondContact OE2-CG 3.36Å; E1660-R1708 IonicContact OE2-NE 2.69Å; E1660-R1708 PolarHBondContact OE2-NE 3.35Å; A1663-R1708 HydrophobicContact CB-CG 4.48Å; A1663-R1708 PolarHBondContact O-NH1 2.76Å; A1663-R1708 PolarHBondContact O-NH2 3.24Å; Q1704-R1708 VanDerWaalsContact O-CB 3.31Å; Q1704-R1708 WeakPolarHBondContact O-CB 3.48Å; Q1704-R1708 VanDerWaalsContact O-CG 3.29Å; Q1704-R1708 WeakPolarHBondContact O-CG 3.18Å; Q1704-R1708 PolarHBondContact O-N 3.22Å; Q1704-R1708 VanDerWaalsContact O-N 3.08Å; L1705-R1708 PolarHBondContact O-N 2.79Å; R1708-S1711 PolarHBondContact O-N 3.21Å; R1708-I1712 WeakPolarHBondContact O-CG1 3.46Å; R1708-I1712 PolarHBondContact O-N 3.25Å |
| 1709 | R | 89.7 | Confident | 91.9 | Very high | 55 Ų | 55 | 35.2 Ų | 35.2 | 21% | 0.208 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.7 | -50.6 | 177.8 | 177.8 | 164.3 | 170.7 | 175.1 | 16.9 | 111.7 | E875 E881 L1705 S1711 I1712 V1713 | E875-R1709 IonicContact OE1-CZ 3.76Å; E875-R1709 IonicContact OE1-NH1 3.29Å; E875-R1709 PolarHBondContact OE1-NH1 3.1Å; E875-R1709 IonicContact OE1-NH2 2.74Å; E881-R1709 VanDerWaalsContact OE1-CD 3.28Å; E881-R1709 WeakPolarHBondContact OE1-CD 3.33Å; E881-R1709 IonicContact OE1-NE 3.56Å; E881-R1709 VanDerWaalsContact OE2-CD 3.32Å; E881-R1709 WeakPolarHBondContact OE2-CD 3.45Å; E881-R1709 IonicContact OE2-CZ 2.75Å; E881-R1709 IonicContact OE2-NE 3.16Å; E881-R1709 IonicContact OE2-NH1 3.18Å; E881-R1709 PolarHBondContact OE2-NH1 2.97Å; L1705-R1709 VanDerWaalsContact O-CB 3.3Å; L1705-R1709 WeakPolarHBondContact O-CB 3.1Å; L1705-R1709 PolarHBondContact O-N 3.36Å; R1709-S1711 PolarHBondContact O-N 3.32Å; R1709-I1712 PolarHBondContact O-N 2.75Å; R1709-V1713 PolarHBondContact O-N 2.85Å |
| 1710 | H | 91.1 | Very high | 91.6 | Very high | 24 Ų | 24 | 37.5 Ų | 37.5 | 11% | 0.111 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.1 | -32.7 | 179.1 | -70.3 | 84.6 | 0 | 0 | 0 | 112.5 | E881 L1626 Q1627 I1630 S1706 I1712 V1713 L1714 | E881-H1710 IonicContact OE1-CE1 2.85Å; E881-H1710 PolarHBondContact OE1-CE1 2.9Å; E881-H1710 IonicContact OE1-ND1 2.68Å; E881-H1710 PolarHBondContact OE1-ND1 3.24Å; L1626-H1710 HydrophobicContact CD2-CB 3.61Å; L1626-H1710 HydrophobicContact CG-CB 3.74Å; Q1627-H1710 WeakPolarHBondContact CG-NE2 3.37Å; I1630-H1710 HydrophobicContact CD1-CB 3.78Å; S1706-H1710 WeakPolarHBondContact O-CB 3.07Å; S1706-H1710 PolarHBondContact O-N 2.88Å; S1706-H1710 PolarHBondContact O-ND1 3.41Å; H1710-I1712 VanDerWaalsContact C-N 3.31Å; H1710-I1712 PolarHBondContact O-N 3.47Å; H1710-V1713 PolarHBondContact O-N 2.63Å; H1710-L1714 PolarHBondContact O-N 3.21Å |
| 1711 | S | 92.6 | Very high | 91 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -37 | 174.2 | -69.5 | 0 | 0 | 0 | 0 | 112.7 | V1707 R1708 R1709 S1715 | V1707-S1711 WeakPolarHBondContact O-CB 3.49Å; V1707-S1711 PolarHBondContact O-N 3.33Å; V1707-S1711 PolarHBondContact O-OG 2.74Å; R1708-S1711 PolarHBondContact O-N 3.21Å; R1709-S1711 PolarHBondContact O-N 3.32Å; S1711-S1715 WeakPolarHBondContact O-CB 3.38Å; S1711-S1715 PolarHBondContact O-N 3.28Å |
| 1712 | I | 91 | Very high | 90.4 | Very high | 76 Ų | 76 | 37.9 Ų | 37.9 | 39% | 0.39 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 173.9 | -66.2 | 163.1 | 0 | 0 | 0 | 110.6 | L830 R1708 R1709 H1710 S1715 N1716 | L830-I1712 HydrophobicContact CD1-CB 4.44Å; L830-I1712 HydrophobicContact CD1-CG2 4.03Å; R1708-I1712 WeakPolarHBondContact O-CG1 3.46Å; R1708-I1712 PolarHBondContact O-N 3.25Å; R1709-I1712 PolarHBondContact O-N 2.75Å; H1710-I1712 VanDerWaalsContact C-N 3.31Å; H1710-I1712 PolarHBondContact O-N 3.47Å; I1712-S1715 PolarHBondContact O-N 3.48Å; I1712-N1716 VanDerWaalsContact O-CG 3.29Å; I1712-N1716 PolarHBondContact O-N 2.78Å; I1712-N1716 PolarHBondContact O-ND2 3.21Å |
| 1713 | V | 90.5 | Very high | 89.8 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 30% | 0.297 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 177.8 | 176.4 | 0 | 0 | 0 | 0 | 111 | I1630 R1709 H1710 S1715 N1716 L1717 | I1630-V1713 HydrophobicContact CD1-CB 4.09Å; I1630-V1713 HydrophobicContact CD1-CG1 4.03Å; I1630-V1713 HydrophobicContact CG1-CG1 4.31Å; I1630-V1713 HydrophobicContact CG2-CG1 4.1Å; R1709-V1713 PolarHBondContact O-N 2.85Å; H1710-V1713 PolarHBondContact O-N 2.63Å; V1713-S1715 VanDerWaalsContact C-N 3.35Å; V1713-S1715 PolarHBondContact O-N 2.91Å; V1713-N1716 PolarHBondContact O-N 2.88Å; V1713-L1717 HydrophobicContact CG1-CD1 3.95Å; V1713-L1717 WeakPolarHBondContact O-CG 3.42Å; V1713-L1717 PolarHBondContact O-N 3.14Å |
| 1714 | L | 91.6 | Very high | 88.9 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -42 | 177.6 | -175.6 | 62.8 | 0 | 0 | 0 | 111.9 | L1626 M1629 I1630 V1633 Y1655 L1656 H1710 N1716 L1717 I1718 | L1626-L1714 HydrophobicContact CD1-CB 4.4Å; L1626-L1714 HydrophobicContact CD1-CD2 3.64Å; M1629-L1714 HydrophobicContact CB-CD2 4.47Å; I1630-L1714 HydrophobicContact CD1-CB 4.4Å; I1630-L1714 HydrophobicContact CG1-CB 3.88Å; I1630-L1714 HydrophobicContact CG1-CD1 4.11Å; V1633-L1714 HydrophobicContact CB-CD1 4.38Å; V1633-L1714 HydrophobicContact CG2-CD1 3.98Å; Y1655-L1714 HydrophobicContact CD1-CD2 4.04Å; Y1655-L1714 HydrophobicContact CE1-CD2 3.99Å; L1656-L1714 HydrophobicContact CD2-CD2 4.45Å; H1710-L1714 PolarHBondContact O-N 3.21Å; L1714-N1716 VanDerWaalsContact C-N 3.31Å; L1714-N1716 PolarHBondContact O-N 3.11Å; L1714-L1717 PolarHBondContact O-N 3.37Å; L1714-I1718 HydrophobicContact CD1-CD1 3.84Å; L1714-I1718 HydrophobicContact CD1-CG1 4.21Å; L1714-I1718 HydrophobicContact CG-CD1 3.88Å; L1714-I1718 WeakPolarHBondContact O-CG1 3.34Å; L1714-I1718 PolarHBondContact O-N 2.67Å |
| 1715 | S | 91.7 | Very high | 87.5 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.3 | -41.6 | 176.5 | -169.9 | 0 | 0 | 0 | 0 | 112 | S1711 I1712 V1713 K1719 | S1711-S1715 WeakPolarHBondContact O-CB 3.38Å; S1711-S1715 PolarHBondContact O-N 3.28Å; I1712-S1715 PolarHBondContact O-N 3.48Å; V1713-S1715 VanDerWaalsContact C-N 3.35Å; V1713-S1715 PolarHBondContact O-N 2.91Å; S1715-K1719 WeakPolarHBondContact O-CD 3.47Å; S1715-K1719 VanDerWaalsContact O-CE 3.31Å; S1715-K1719 WeakPolarHBondContact O-CE 3.18Å; S1715-K1719 VanDerWaalsContact O-CG 3.23Å; S1715-K1719 WeakPolarHBondContact O-CG 3.37Å; S1715-K1719 PolarHBondContact O-N 3.34Å; S1715-K1719 VanDerWaalsContact O-N 3.12Å; S1715-K1719 WeakPolarHBondContact OG-CE 3.41Å; S1715-K1719 PolarHBondContact OG-NZ 3.32Å; S1715-K1719 VanDerWaalsContact OG-NZ 3.07Å |
| 1716 | N | 90.5 | Very high | 86.1 | Confident | 85 Ų | 85 | 51 Ų | 51 | 46% | 0.455 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -74.5 | -39.2 | -179 | -68.2 | -13 | 0 | 0 | 0 | 112.4 | I1712 V1713 L1714 K1719 S1720 | I1712-N1716 VanDerWaalsContact O-CG 3.29Å; I1712-N1716 PolarHBondContact O-N 2.78Å; I1712-N1716 PolarHBondContact O-ND2 3.21Å; V1713-N1716 PolarHBondContact O-N 2.88Å; L1714-N1716 VanDerWaalsContact C-N 3.31Å; L1714-N1716 PolarHBondContact O-N 3.11Å; N1716-K1719 PolarHBondContact O-N 3.12Å; N1716-K1719 PolarHBondContact OD1-NZ 3.13Å; N1716-S1720 PolarHBondContact O-N 3Å; N1716-S1720 VanDerWaalsContact O-N 3.13Å |
| 1717 | L | 90.2 | Very high | 84.5 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 172.3 | -72.2 | 166.3 | 0 | 0 | 0 | 111.6 | I1630 V1633 Q1634 V1713 L1714 K1719 S1720 H1721 | I1630-L1717 HydrophobicContact CB-CD1 4.47Å; I1630-L1717 HydrophobicContact CG1-CD1 4.49Å; I1630-L1717 HydrophobicContact CG2-CD1 3.8Å; V1633-L1717 HydrophobicContact CG1-CB 3.84Å; Q1634-L1717 HydrophobicContact CG-CD1 3.84Å; Q1634-L1717 HydrophobicContact CG-CD2 3.93Å; V1713-L1717 HydrophobicContact CG1-CD1 3.95Å; V1713-L1717 WeakPolarHBondContact O-CG 3.42Å; V1713-L1717 PolarHBondContact O-N 3.14Å; L1714-L1717 PolarHBondContact O-N 3.37Å; L1717-K1719 VanDerWaalsContact C-N 3.34Å; L1717-K1719 PolarHBondContact O-N 3.32Å; L1717-S1720 PolarHBondContact O-N 2.82Å; L1717-S1720 PolarHBondContact O-OG 2.66Å; L1717-H1721 PolarHBondContact O-CD2 3.01Å; L1717-H1721 PolarHBondContact O-N 3.25Å |
| 1718 | I | 88.7 | Confident | 82.6 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.7 | -35.3 | -180 | -66 | 175.1 | 0 | 0 | 0 | 111.7 | V1633 C1648 V1649 C1652 L1714 H1721 I1722 | V1633-I1718 HydrophobicContact CG1-CG1 4.12Å; V1633-I1718 HydrophobicContact CG2-CG1 4.35Å; C1648-I1718 HydrophobicContact CB-CD1 4.07Å; C1648-I1718 HydrophobicContact CB-CG1 4.45Å; V1649-I1718 HydrophobicContact CG2-CG2 4.28Å; C1652-I1718 HydrophobicContact CB-CD1 3.89Å; C1652-I1718 HydrophobicContact CB-CG2 4.12Å; L1714-I1718 HydrophobicContact CD1-CD1 3.84Å; L1714-I1718 HydrophobicContact CD1-CG1 4.21Å; L1714-I1718 HydrophobicContact CG-CD1 3.88Å; L1714-I1718 WeakPolarHBondContact O-CG1 3.34Å; L1714-I1718 PolarHBondContact O-N 2.67Å; I1718-H1721 PolarHBondContact O-N 3.32Å; I1718-I1722 HydrophobicContact CG2-CD1 3.97Å; I1718-I1722 WeakPolarHBondContact O-CG1 3.14Å; I1718-I1722 PolarHBondContact O-N 3.26Å; I1718-I1722 VanDerWaalsContact O-N 3.07Å |
| 1719 | K | 88.5 | Confident | 80.3 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.4 | -49.4 | 171.5 | -71.9 | 162.3 | -151.5 | 157.3 | 0 | 111.5 | S1715 N1716 L1717 H1721 I1722 D1723 | S1715-K1719 WeakPolarHBondContact O-CD 3.47Å; S1715-K1719 VanDerWaalsContact O-CE 3.31Å; S1715-K1719 WeakPolarHBondContact O-CE 3.18Å; S1715-K1719 VanDerWaalsContact O-CG 3.23Å; S1715-K1719 WeakPolarHBondContact O-CG 3.37Å; S1715-K1719 PolarHBondContact O-N 3.34Å; S1715-K1719 VanDerWaalsContact O-N 3.12Å; S1715-K1719 WeakPolarHBondContact OG-CE 3.41Å; S1715-K1719 PolarHBondContact OG-NZ 3.32Å; S1715-K1719 VanDerWaalsContact OG-NZ 3.07Å; N1716-K1719 PolarHBondContact O-N 3.12Å; N1716-K1719 PolarHBondContact OD1-NZ 3.13Å; L1717-K1719 VanDerWaalsContact C-N 3.34Å; L1717-K1719 PolarHBondContact O-N 3.32Å; K1719-H1721 VanDerWaalsContact C-N 3.29Å; K1719-H1721 PolarHBondContact O-N 3.46Å; K1719-I1722 WeakPolarHBondContact O-CA 3.27Å; K1719-I1722 WeakPolarHBondContact O-CB 3.16Å; K1719-I1722 PolarHBondContact O-N 2.84Å; K1719-D1723 PolarHBondContact O-N 3.29Å |
| 1720 | S | 86.4 | Confident | 78 | Confident | 52 Ų | 52 | 64.3 Ų | 64.3 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.1 | -39 | -179.5 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | N1716 L1717 D1723 L1724 | N1716-S1720 PolarHBondContact O-N 3Å; N1716-S1720 VanDerWaalsContact O-N 3.13Å; L1717-S1720 PolarHBondContact O-N 2.82Å; L1717-S1720 PolarHBondContact O-OG 2.66Å; S1720-D1723 PolarHBondContact O-N 3.33Å; S1720-L1724 WeakPolarHBondContact O-CB 3.35Å; S1720-L1724 WeakPolarHBondContact O-CD1 3.34Å; S1720-L1724 VanDerWaalsContact O-CG 3.25Å; S1720-L1724 WeakPolarHBondContact O-CG 3.3Å; S1720-L1724 PolarHBondContact O-N 2.81Å |
| 1721 | H | 81.6 | Confident | 75.1 | Confident | 31 Ų | 31 | 73 Ų | 73 | 14% | 0.144 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -67.4 | -35.2 | 172.4 | -75.6 | -73.8 | 0 | 0 | 0 | 113.3 | V1633 L1717 I1718 K1719 N1725 | V1633-H1721 PolarHBondContact O-NE2 3Å; L1717-H1721 PolarHBondContact O-CD2 3.01Å; L1717-H1721 PolarHBondContact O-N 3.25Å; I1718-H1721 PolarHBondContact O-N 3.32Å; K1719-H1721 VanDerWaalsContact C-N 3.29Å; K1719-H1721 PolarHBondContact O-N 3.46Å; H1721-N1725 WeakPolarHBondContact O-CB 3.44Å; H1721-N1725 PolarHBondContact O-N 3.01Å; H1721-N1725 PolarHBondContact O-ND2 3.49Å |
| 1722 | I | 81.9 | Confident | 74.3 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 32% | 0.318 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 174.3 | -69.5 | 165 | 0 | 0 | 0 | 110.3 | V1649 I1718 K1719 N1725 N1726 | V1649-I1722 HydrophobicContact CG1-CD1 4.21Å; V1649-I1722 HydrophobicContact CG1-CG1 4.17Å; V1649-I1722 HydrophobicContact CG2-CD1 4.26Å; V1649-I1722 HydrophobicContact CG2-CG1 3.79Å; I1718-I1722 HydrophobicContact CG2-CD1 3.97Å; I1718-I1722 WeakPolarHBondContact O-CG1 3.14Å; I1718-I1722 PolarHBondContact O-N 3.26Å; I1718-I1722 VanDerWaalsContact O-N 3.07Å; K1719-I1722 WeakPolarHBondContact O-CA 3.27Å; K1719-I1722 WeakPolarHBondContact O-CB 3.16Å; K1719-I1722 PolarHBondContact O-N 2.84Å; I1722-N1725 PolarHBondContact O-N 3.25Å; I1722-N1726 PolarHBondContact O-N 3.48Å; I1722-N1726 PolarHBondContact O-ND2 2.84Å; I1722-N1726 VanDerWaalsContact O-ND2 3.17Å |
| 1723 | D | 79.6 | Confident | 73.4 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 51% | 0.508 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.8 | -42.2 | -177.5 | -63.5 | -34.3 | 0 | 0 | 0 | 111.7 | K1719 S1720 N1725 N1726 T1727 | K1719-D1723 PolarHBondContact O-N 3.29Å; S1720-D1723 PolarHBondContact O-N 3.33Å; D1723-N1725 PolarHBondContact O-N 3.38Å; D1723-N1726 WeakPolarHBondContact O-CB 3.16Å; D1723-N1726 PolarHBondContact O-N 3.15Å; D1723-N1726 VanDerWaalsContact O-N 3.13Å; D1723-T1727 PolarHBondContact O-N 3.01Å; D1723-T1727 PolarHBondContact O-OG1 3.35Å |
| 1724 | L | 75.5 | Confident | 72.4 | Confident | 106 Ų | 106 | 77.6 Ų | 77.6 | 56% | 0.555 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -57.6 | -44.3 | 172.5 | -77.6 | 166.7 | 0 | 0 | 0 | 112.6 | S1720 N1726 T1727 T1728 | S1720-L1724 WeakPolarHBondContact O-CB 3.35Å; S1720-L1724 WeakPolarHBondContact O-CD1 3.34Å; S1720-L1724 VanDerWaalsContact O-CG 3.25Å; S1720-L1724 WeakPolarHBondContact O-CG 3.3Å; S1720-L1724 PolarHBondContact O-N 2.81Å; L1724-N1726 VanDerWaalsContact C-N 3.3Å; L1724-N1726 PolarHBondContact O-N 3.02Å; L1724-T1727 WeakPolarHBondContact CA-OG1 3.46Å; L1724-T1727 PolarHBondContact O-N 3.35Å; L1724-T1727 PolarHBondContact O-OG1 3.14Å; L1724-T1728 PolarHBondContact O-N 3.39Å; L1724-T1728 PolarHBondContact O-OG1 3.45Å; L1724-T1728 VanDerWaalsContact O-OG1 3.04Å |
| 1725 | N | 65 | Low | 71.3 | Confident | 77 Ų | 77 | 81.9 Ų | 81.9 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.8 | -26.2 | 177.3 | -77.5 | -56.1 | 0 | 0 | 0 | 112.9 | H1721 I1722 D1723 T1728 N1729 | H1721-N1725 WeakPolarHBondContact O-CB 3.44Å; H1721-N1725 PolarHBondContact O-N 3.01Å; H1721-N1725 PolarHBondContact O-ND2 3.49Å; I1722-N1725 PolarHBondContact O-N 3.25Å; D1723-N1725 PolarHBondContact O-N 3.38Å; N1725-T1728 PolarHBondContact O-OG1 3.01Å; N1725-N1729 PolarHBondContact O-ND2 3.39Å |
| 1726 | N | 63 | Low | 70 | Confident | 98 Ų | 98 | 85.4 Ų | 85.4 | 52% | 0.524 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.9 | -45.4 | 174.2 | -69.9 | -37.5 | 0 | 0 | 0 | 111.2 | I1722 D1723 L1724 T1728 N1729 | I1722-N1726 PolarHBondContact O-N 3.48Å; I1722-N1726 PolarHBondContact O-ND2 2.84Å; I1722-N1726 VanDerWaalsContact O-ND2 3.17Å; D1723-N1726 WeakPolarHBondContact O-CB 3.16Å; D1723-N1726 PolarHBondContact O-N 3.15Å; D1723-N1726 VanDerWaalsContact O-N 3.13Å; L1724-N1726 VanDerWaalsContact C-N 3.3Å; L1724-N1726 PolarHBondContact O-N 3.02Å; N1726-T1728 VanDerWaalsContact C-N 3.34Å; N1726-T1728 PolarHBondContact O-N 3.19Å; N1726-N1729 PolarHBondContact O-N 3.45Å |
| 1727 | T | 57.7 | Low | 68.7 | Low | 77 Ų | 77 | 85.5 Ų | 85.5 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 178.4 | 41.4 | 0 | 0 | 0 | 0 | 113.2 | D1723 L1724 N1729 T1730 | D1723-T1727 PolarHBondContact O-N 3.01Å; D1723-T1727 PolarHBondContact O-OG1 3.35Å; L1724-T1727 WeakPolarHBondContact CA-OG1 3.46Å; L1724-T1727 PolarHBondContact O-N 3.35Å; L1724-T1727 PolarHBondContact O-OG1 3.14Å; T1727-N1729 PolarHBondContact O-N 2.77Å; T1727-T1730 PolarHBondContact O-N 3.48Å; T1727-T1730 VanDerWaalsContact O-N 3.12Å; T1727-T1730 PolarHBondContact O-OG1 3.28Å |
| 1728 | T | 53.1 | Low | 67.1 | Low | 91 Ų | 91 | 89 Ų | 89 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 4.5 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 114.6 | L1724 N1725 N1726 | L1724-T1728 PolarHBondContact O-N 3.39Å; L1724-T1728 PolarHBondContact O-OG1 3.45Å; L1724-T1728 VanDerWaalsContact O-OG1 3.04Å; N1725-T1728 PolarHBondContact O-OG1 3.01Å; N1726-T1728 VanDerWaalsContact C-N 3.34Å; N1726-T1728 PolarHBondContact O-N 3.19Å |
| 1729 | N | 46.8 | Very low | 65.5 | Low | 134 Ų | 134 | 95.3 Ų | 95.3 | 72% | 0.717 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | 9.9 | 168.7 | -76.2 | -86.2 | 0 | 0 | 0 | 112.6 | N1725 N1726 T1727 | N1725-N1729 PolarHBondContact O-ND2 3.39Å; N1726-N1729 PolarHBondContact O-N 3.45Å; T1727-N1729 PolarHBondContact O-N 2.77Å |
| 1730 | T | 41.4 | Very low | 63.6 | Low | 112 Ų | 112 | 95.3 Ų | 95.3 | 69% | 0.687 | 53% | 0.531 | S | S | * | . | trans | -117.2 | -3.9 | 177.6 | 46.6 | 0 | 0 | 0 | 0 | 115.1 | T1727 | T1727-T1730 PolarHBondContact O-N 3.48Å; T1727-T1730 VanDerWaalsContact O-N 3.12Å; T1727-T1730 PolarHBondContact O-OG1 3.28Å | ||
| 1731 | D | 30.9 | Very low | 61.5 | Low | 208 Ų | 208 | 99.2 Ų | 99.2 | 100% | 1.112 | 55% | 0.546 | S | S | * | . | trans | -109 | 0 | 167.4 | -70.8 | -42.8 | 0 | 0 | 0 | 110.5 |
Retrieved 1,731 of 1,731 residues in 654.9 ms
(Link to these results)