| 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 | 45.3 | Very low | 75.3 | Confident | 249 Ų | 249 | 94.6 Ų | 94.6 | 100% | 1.227 | 52% | 0.519 | S | S | * | . | 0 | 140.1 | 0 | -70 | 164.3 | 175.3 | 0 | 0 | 106.9 | |||||
| 2 | G | 51.6 | Low | 76 | Confident | 58 Ų | 58 | 97.2 Ų | 97.2 | 60% | 0.598 | 54% | 0.544 | S | S | * | . | trans | -73.4 | 142.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D4 | G2-D4 PolarHBondContact O-N 3.1Š| ||
| 3 | D | 60.5 | Low | 76.2 | Confident | 121 Ų | 121 | 96.9 Ų | 96.9 | 65% | 0.647 | 58% | 0.577 | S | S | * | * | trans | -81.4 | 58.4 | 166.5 | -132.3 | -66 | 0 | 0 | 0 | 108.3 | R5 | D3-R5 PolarHBondContact O-N 3.19Å; D3-R5 IonicContact OD1-CZ 2.8Å; D3-R5 IonicContact OD1-NE 2.72Å; D3-R5 PolarHBondContact OD1-NE 3.46Å; D3-R5 IonicContact OD1-NH2 3.55Å; D3-R5 PolarHBondContact OD1-NH2 3.21Å; D3-R5 IonicContact OD2-NH2 2.73Å | ||
| 4 | D | 71.3 | Confident | 77 | Confident | 133 Ų | 133 | 92.5 Ų | 92.5 | 71% | 0.711 | 55% | 0.552 | S | S | * | * | trans | -68.7 | 104.1 | -173.7 | -79.8 | -62.7 | 0 | 0 | 0 | 110.2 | G2 P6 | G2-D4 PolarHBondContact O-N 3.1Å; D4-P6 WeakPolarHBondContact O-CD 3.48Å | ||
| 5 | R | 80.8 | Confident | 77.4 | Confident | 114 Ų | 114 | 89.5 Ų | 89.5 | 43% | 0.43 | 55% | 0.548 | S | S | . | . | trans | -114.5 | 75 | 179.5 | -65.2 | 177.8 | -168.2 | -142.2 | 1.8 | 109.3 | D3 F7 R17 F18 T19 | D3-R5 PolarHBondContact O-N 3.19Å; D3-R5 IonicContact OD1-CZ 2.8Å; D3-R5 IonicContact OD1-NE 2.72Å; D3-R5 PolarHBondContact OD1-NE 3.46Å; D3-R5 IonicContact OD1-NH2 3.55Å; D3-R5 PolarHBondContact OD1-NH2 3.21Å; D3-R5 IonicContact OD2-NH2 2.73Å; R5-F7 VanDerWaalsContact C-N 3.28Å; R5-F7 PolarHBondContact O-N 3.21Å; R5-R17 HydrophobicContact CB-CB 3.8Å; R5-F18 CarbonylContact C-O 3.59Å; R5-F18 VanDerWaalsContact CA-O 3.26Å; R5-F18 WeakPolarHBondContact CA-O 3.47Å; R5-F18 WeakPolarHBondContact CB-O 3.41Å; R5-T19 HydrophobicContact CG-CG2 3.83Å | ||
| 6 | P | 83.8 | Confident | 78 | Confident | 88 Ų | 88 | 90 Ų | 90 | 57% | 0.571 | 54% | 0.542 | S | S | * | . | trans | -71.2 | -23.4 | -173.6 | 29.1 | -35.3 | 0 | 0 | 0 | 112.7 | D4 V8 | D4-P6 WeakPolarHBondContact O-CD 3.48Å; P6-V8 PolarHBondContact O-N 3.38Å | ||
| 7 | F | 87.4 | Confident | 78.7 | Confident | 64 Ų | 64 | 93.6 Ų | 93.6 | 28% | 0.281 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 104.3 | -176.3 | -57.5 | -76.6 | 0 | 0 | 0 | 110.9 | R5 R17 F18 T19 N20 E21 L24 | R5-F7 VanDerWaalsContact C-N 3.28Å; R5-F7 PolarHBondContact O-N 3.21Å; F7-R17 WeakPolarHBondContact O-CA 3.32Å; F7-F18 HydrophobicContact CB-CB 4.3Å; F7-F18 PolarHBondContact N-O 3.4Å; F7-F18 PolarHBondContact O-N 2.89Å; F7-T19 WeakPolarHBondContact CD2-O 3.49Å; F7-T19 WeakPolarHBondContact CE2-O 3.32Å; F7-N20 VanDerWaalsContact CD2-C 3.44Å; F7-E21 HydrophobicContact CD1-CB 3.79Å; F7-E21 HydrophobicContact CD1-CG 4.15Å; F7-E21 HydrophobicContact CE1-CB 3.63Å; F7-E21 HydrophobicContact CE1-CG 4.2Å; F7-E21 HydrophobicContact CG-CB 4.33Å; F7-E21 HydrophobicContact CZ-CB 4.04Å; F7-L24 HydrophobicContact CB-CB 4.11Å; F7-L24 HydrophobicContact CB-CD2 3.82Å |
| 8 | V | 88.6 | Confident | 79.3 | Confident | 37 Ų | 37 | 90.4 Ų | 90.4 | 22% | 0.224 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 142 | -176.9 | -166.8 | 0 | 0 | 0 | 0 | 112 | P6 N10 Q16 R17 L24 | P6-V8 PolarHBondContact O-N 3.38Å; V8-N10 PolarHBondContact O-N 3.15Å; V8-Q16 CarbonylContact C-O 3.38Å; V8-R17 HydrophobicContact CG1-CG 4.23Å; V8-R17 HydrophobicContact CG2-CG 4.11Å; V8-L24 WeakPolarHBondContact O-CD2 3.47Å |
| 9 | C | 90.1 | Very high | 79.9 | Confident | 4 Ų | 4 | 88.9 Ų | 88.9 | 3% | 0.027 | 52% | 0.515 | C | S | . | . | trans | -81.9 | 105.3 | 170.2 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | A11 G15 Q16 F18 L24 H27 | C9-A11 PolarHBondContact O-N 2.91Å; C9-A11 VanDerWaalsContact SG-CB 3.59Å; C9-G15 PolarHBondContact O-N 3.26Å; C9-Q16 PolarHBondContact N-O 3.43Å; C9-F18 HydrophobicContact CB-CE2 4.47Å; C9-L24 HydrophobicContact CB-CD1 3.76Å; C9-H27 PolarHBondContact SG-CD2 2.93Å; C9-H27 PolarHBondContact SG-NE2 3.23Å; C9-H27 VanDerWaalsContact SG-NE2 3.43Å | ||
| 10 | N | 86.9 | Confident | 80.4 | Confident | 148 Ų | 148 | 88.1 Ų | 88.1 | 79% | 0.791 | 51% | 0.509 | S | S | * | . | trans | -76.9 | 11.6 | 177.3 | -61.2 | -7.4 | 0 | 0 | 0 | 113.8 | V8 | V8-N10 PolarHBondContact O-N 3.15Š| ||
| 11 | A | 82.4 | Confident | 80.8 | Confident | 25 Ų | 25 | 89.1 Ų | 89.1 | 21% | 0.207 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -67.6 | 133.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | C9 G13 C14 | C9-A11 PolarHBondContact O-N 2.91Å; C9-A11 VanDerWaalsContact SG-CB 3.59Å; A11-G13 PolarHBondContact O-N 3.38Å; A11-C14 HydrophobicContact CB-CB 3.96Å; A11-C14 WeakPolarHBondContact O-CB 3.49Å; A11-C14 PolarHBondContact O-N 3.49Å |
| 12 | P | 82.9 | Confident | 82.9 | Confident | 125 Ų | 125 | 82.9 Ų | 82.9 | 81% | 0.812 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 126.6 | -174.6 | 23.3 | -33.4 | 0 | 0 | 0 | 110.9 | C14 | P12-C14 VanDerWaalsContact C-N 3.34Š|
| 13 | G | 78.7 | Confident | 84.8 | Confident | 94 Ų | 94 | 84.9 Ų | 84.9 | 97% | 0.969 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | 3.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A11 | A11-G13 PolarHBondContact O-N 3.38Š|
| 14 | C | 87.4 | Confident | 86.3 | Confident | 35 Ų | 35 | 79.4 Ų | 79.4 | 24% | 0.236 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -59.7 | -177.2 | -166.5 | 0 | 0 | 0 | 0 | 114.8 | A11 P12 Q16 H27 H31 | A11-C14 HydrophobicContact CB-CB 3.96Å; A11-C14 WeakPolarHBondContact O-CB 3.49Å; A11-C14 PolarHBondContact O-N 3.49Å; P12-C14 VanDerWaalsContact C-N 3.34Å; C14-Q16 PolarHBondContact O-N 3.42Å; C14-H27 VanDerWaalsContact SG-CE1 3.58Å; C14-H27 PolarHBondContact SG-NE2 3.37Å; C14-H31 PolarHBondContact SG-CE1 3.14Å; C14-H31 PolarHBondContact SG-NE2 3.12Å; C14-H31 VanDerWaalsContact SG-NE2 3.38Å |
| 15 | G | 83 | Confident | 87.1 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 50% | 0.495 | 43% | 0.431 | S | S | . | . | trans | 62.3 | 4.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | C9 | C9-G15 PolarHBondContact O-N 3.26Š| ||
| 16 | Q | 86.8 | Confident | 87.4 | Confident | 97 Ų | 97 | 75.5 Ų | 75.5 | 45% | 0.453 | 44% | 0.443 | S | S | . | . | trans | -64.8 | 141.5 | -177 | -68.4 | -164.6 | -11.6 | 0 | 0 | 112.1 | V8 C9 C14 F18 H27 | V8-Q16 CarbonylContact C-O 3.38Å; C9-Q16 PolarHBondContact N-O 3.43Å; C14-Q16 PolarHBondContact O-N 3.42Å; Q16-F18 HydrophobicContact CB-CE2 3.78Å; Q16-F18 HydrophobicContact CB-CZ 3.75Å; Q16-H27 PolarHBondContact OE1-CE1 3.44Å; Q16-H27 PolarHBondContact OE1-ND1 3.33Å | ||
| 17 | R | 90.4 | Very high | 87.7 | Confident | 152 Ų | 152 | 72 Ų | 72 | 57% | 0.574 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.7 | -176.2 | -58.5 | -171.6 | 171.1 | -108.8 | 1.1 | 111.6 | R5 F7 V8 | R5-R17 HydrophobicContact CB-CB 3.8Å; F7-R17 WeakPolarHBondContact O-CA 3.32Å; V8-R17 HydrophobicContact CG1-CG 4.23Å; V8-R17 HydrophobicContact CG2-CG 4.11Å |
| 18 | F | 89.1 | Confident | 87.6 | Confident | 36 Ų | 36 | 73.8 Ų | 73.8 | 16% | 0.158 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.5 | -174.7 | -56.9 | -83.1 | 0 | 0 | 0 | 111.1 | R5 F7 C9 Q16 N20 H23 L24 H27 | R5-F18 CarbonylContact C-O 3.59Å; R5-F18 VanDerWaalsContact CA-O 3.26Å; R5-F18 WeakPolarHBondContact CA-O 3.47Å; R5-F18 WeakPolarHBondContact CB-O 3.41Å; F7-F18 HydrophobicContact CB-CB 4.3Å; F7-F18 PolarHBondContact N-O 3.4Å; F7-F18 PolarHBondContact O-N 2.89Å; C9-F18 HydrophobicContact CB-CE2 4.47Å; Q16-F18 HydrophobicContact CB-CE2 3.78Å; Q16-F18 HydrophobicContact CB-CZ 3.75Å; F18-N20 VanDerWaalsContact C-N 3.35Å; F18-H23 HydrophobicContact CB-CB 4Å; F18-H23 HydrophobicContact CD1-CB 3.68Å; F18-H23 HydrophobicContact CG-CB 4.05Å; F18-L24 HydrophobicContact CB-CB 4.37Å; F18-L24 HydrophobicContact CD2-CB 3.8Å; F18-L24 HydrophobicContact CD2-CD1 3.9Å; F18-L24 HydrophobicContact CD2-CG 4.44Å; F18-L24 HydrophobicContact CE2-CD1 4.02Å; F18-L24 HydrophobicContact CG-CB 4.26Å; F18-H27 HydrophobicContact CE1-CB 4.28Å; F18-H27 HydrophobicContact CE2-CB 4.01Å; F18-H27 AromaticContact CE2-CG 3.8Å; F18-H27 HydrophobicContact CZ-CB 3.67Å; F18-H27 AromaticContact CZ-CG 3.46Å; F18-H27 VanDerWaalsContact CZ-CG 3.46Å; F18-H27 AromaticContact CZ-ND1 3.46Å; F18-H27 WeakPolarHBondContact CZ-ND1 3.34Å |
| 19 | T | 91.3 | Very high | 87.4 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 37% | 0.374 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -71.3 | -30.8 | 174.3 | 53 | 0 | 0 | 0 | 0 | 112.2 | R5 F7 | R5-T19 HydrophobicContact CG-CG2 3.83Å; F7-T19 WeakPolarHBondContact CD2-O 3.49Å; F7-T19 WeakPolarHBondContact CE2-O 3.32Å |
| 20 | N | 88.9 | Confident | 87 | Confident | 73 Ų | 73 | 82.1 Ų | 82.1 | 39% | 0.39 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -128.1 | 149.5 | -172 | -56.9 | 36.3 | 0 | 0 | 0 | 110 | F7 F18 H23 L24 | F7-N20 VanDerWaalsContact CD2-C 3.44Å; F18-N20 VanDerWaalsContact C-N 3.35Å; N20-H23 PolarHBondContact O-N 2.99Å; N20-L24 PolarHBondContact O-N 3.21Å |
| 21 | E | 89.4 | Confident | 86.6 | Confident | 110 Ų | 110 | 77.9 Ų | 77.9 | 51% | 0.514 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 177.5 | -171 | 152.1 | -157.9 | 0 | 0 | 112.9 | F7 H23 L24 A25 | F7-E21 HydrophobicContact CD1-CB 3.79Å; F7-E21 HydrophobicContact CD1-CG 4.15Å; F7-E21 HydrophobicContact CE1-CB 3.63Å; F7-E21 HydrophobicContact CE1-CG 4.2Å; F7-E21 HydrophobicContact CG-CB 4.33Å; F7-E21 HydrophobicContact CZ-CB 4.04Å; E21-H23 VanDerWaalsContact C-N 3.29Å; E21-H23 PolarHBondContact O-N 2.97Å; E21-L24 CarbonylContact O-C 3.49Å; E21-L24 WeakPolarHBondContact O-CA 3.4Å; E21-L24 WeakPolarHBondContact O-CB 3.4Å; E21-L24 PolarHBondContact O-N 3.37Å; E21-A25 PolarHBondContact O-N 3.43Å |
| 22 | D | 90.4 | Very high | 86.2 | Confident | 117 Ų | 117 | 83.4 Ų | 83.4 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -58.2 | -41.2 | 179.1 | -54.5 | -56.3 | 0 | 0 | 0 | 112.4 | L24 A25 V26 | D22-L24 VanDerWaalsContact C-N 3.3Å; D22-L24 PolarHBondContact O-N 2.93Å; D22-A25 PolarHBondContact O-N 3.4Å; D22-V26 WeakPolarHBondContact O-CG2 3.49Å; D22-V26 PolarHBondContact O-N 3.46Å |
| 23 | H | 91.4 | Very high | 85.1 | Confident | 100 Ų | 100 | 83.9 Ų | 83.9 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 176 | -63.7 | 158.7 | 0 | 0 | 0 | 111.4 | F18 N20 E21 H27 | F18-H23 HydrophobicContact CB-CB 4Å; F18-H23 HydrophobicContact CD1-CB 3.68Å; F18-H23 HydrophobicContact CG-CB 4.05Å; N20-H23 PolarHBondContact O-N 2.99Å; E21-H23 VanDerWaalsContact C-N 3.29Å; E21-H23 PolarHBondContact O-N 2.97Å; H23-H27 WeakPolarHBondContact O-CB 3.38Å; H23-H27 PolarHBondContact O-N 3.5Å; H23-H27 VanDerWaalsContact O-N 3.08Å |
| 24 | L | 90.8 | Very high | 84.3 | Confident | 6 Ų | 6 | 83.2 Ų | 83.2 | 3% | 0.031 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 172.3 | 173.9 | 61.4 | 0 | 0 | 0 | 111.8 | F7 V8 C9 F18 N20 E21 D22 H27 K28 | F7-L24 HydrophobicContact CB-CB 4.11Å; F7-L24 HydrophobicContact CB-CD2 3.82Å; V8-L24 WeakPolarHBondContact O-CD2 3.47Å; C9-L24 HydrophobicContact CB-CD1 3.76Å; F18-L24 HydrophobicContact CB-CB 4.37Å; F18-L24 HydrophobicContact CD2-CB 3.8Å; F18-L24 HydrophobicContact CD2-CD1 3.9Å; F18-L24 HydrophobicContact CD2-CG 4.44Å; F18-L24 HydrophobicContact CE2-CD1 4.02Å; F18-L24 HydrophobicContact CG-CB 4.26Å; N20-L24 PolarHBondContact O-N 3.21Å; E21-L24 CarbonylContact O-C 3.49Å; E21-L24 WeakPolarHBondContact O-CA 3.4Å; E21-L24 WeakPolarHBondContact O-CB 3.4Å; E21-L24 PolarHBondContact O-N 3.37Å; D22-L24 VanDerWaalsContact C-N 3.3Å; D22-L24 PolarHBondContact O-N 2.93Å; L24-H27 PolarHBondContact O-N 2.9Å; L24-K28 HydrophobicContact CD1-CD 4.34Å; L24-K28 HydrophobicContact CD1-CG 4.1Å; L24-K28 HydrophobicContact CG-CD 4.12Å; L24-K28 HydrophobicContact CG-CG 4.37Å; L24-K28 WeakPolarHBondContact O-CB 3.5Å; L24-K28 VanDerWaalsContact O-CG 3.27Å; L24-K28 WeakPolarHBondContact O-CG 3.3Å; L24-K28 PolarHBondContact O-N 2.89Å |
| 25 | A | 89.3 | Confident | 82.5 | Confident | 51 Ų | 51 | 87 Ų | 87 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.7 | -50.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E21 D22 H27 K28 H29 | E21-A25 PolarHBondContact O-N 3.43Å; D22-A25 PolarHBondContact O-N 3.4Å; A25-H27 VanDerWaalsContact C-N 3.26Å; A25-H27 PolarHBondContact O-N 3.14Å; A25-K28 WeakPolarHBondContact O-CB 3.29Å; A25-K28 PolarHBondContact O-N 2.98Å; A25-K28 VanDerWaalsContact O-N 3.16Å; A25-H29 PolarHBondContact O-N 2.84Å |
| 26 | V | 87.3 | Confident | 81.3 | Confident | 114 Ų | 114 | 93.5 Ų | 93.5 | 69% | 0.691 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.6 | -38.7 | 173.8 | 174.8 | 0 | 0 | 0 | 0 | 111 | D22 K30 | D22-V26 WeakPolarHBondContact O-CG2 3.49Å; D22-V26 PolarHBondContact O-N 3.46Å; V26-K30 PolarHBondContact O-N 2.99Å |
| 27 | H | 88.7 | Confident | 79.5 | Confident | 16 Ų | 16 | 94.3 Ų | 94.3 | 7% | 0.074 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 175 | 176.6 | 97.2 | 0 | 0 | 0 | 113.1 | C9 C14 Q16 F18 H23 L24 A25 H29 K30 H31 | C9-H27 PolarHBondContact SG-CD2 2.93Å; C9-H27 PolarHBondContact SG-NE2 3.23Å; C9-H27 VanDerWaalsContact SG-NE2 3.43Å; C14-H27 VanDerWaalsContact SG-CE1 3.58Å; C14-H27 PolarHBondContact SG-NE2 3.37Å; Q16-H27 PolarHBondContact OE1-CE1 3.44Å; Q16-H27 PolarHBondContact OE1-ND1 3.33Å; F18-H27 HydrophobicContact CE1-CB 4.28Å; F18-H27 HydrophobicContact CE2-CB 4.01Å; F18-H27 AromaticContact CE2-CG 3.8Å; F18-H27 HydrophobicContact CZ-CB 3.67Å; F18-H27 AromaticContact CZ-CG 3.46Å; F18-H27 VanDerWaalsContact CZ-CG 3.46Å; F18-H27 AromaticContact CZ-ND1 3.46Å; F18-H27 WeakPolarHBondContact CZ-ND1 3.34Å; H23-H27 WeakPolarHBondContact O-CB 3.38Å; H23-H27 PolarHBondContact O-N 3.5Å; H23-H27 VanDerWaalsContact O-N 3.08Å; L24-H27 PolarHBondContact O-N 2.9Å; A25-H27 VanDerWaalsContact C-N 3.26Å; A25-H27 PolarHBondContact O-N 3.14Å; H27-H29 VanDerWaalsContact C-N 3.33Å; H27-H29 PolarHBondContact O-N 3.5Å; H27-K30 VanDerWaalsContact O-CB 3.28Å; H27-K30 WeakPolarHBondContact O-CB 3.23Å; H27-K30 PolarHBondContact O-N 3.49Å; H27-K30 VanDerWaalsContact O-N 3.12Å; H27-H31 AromaticContact CD2-CD2 3.83Å; H27-H31 AromaticContact CD2-NE2 3.58Å; H27-H31 AromaticContact CE1-NE2 3.75Å; H27-H31 AromaticContact NE2-CD2 3.65Å; H27-H31 AromaticContact NE2-NE2 2.92Å; H27-H31 PolarHBondContact NE2-NE2 2.89Å; H27-H31 PolarHBondContact O-CD2 3.16Å |
| 28 | K | 86.4 | Confident | 77.4 | Confident | 101 Ų | 101 | 89.8 Ų | 89.8 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.2 | -44.9 | 174.8 | -79.6 | 166.6 | 176.6 | 170.1 | 0 | 110.8 | L24 A25 K30 H31 E32 | L24-K28 HydrophobicContact CD1-CD 4.34Å; L24-K28 HydrophobicContact CD1-CG 4.1Å; L24-K28 HydrophobicContact CG-CD 4.12Å; L24-K28 HydrophobicContact CG-CG 4.37Å; L24-K28 WeakPolarHBondContact O-CB 3.5Å; L24-K28 VanDerWaalsContact O-CG 3.27Å; L24-K28 WeakPolarHBondContact O-CG 3.3Å; L24-K28 PolarHBondContact O-N 2.89Å; A25-K28 WeakPolarHBondContact O-CB 3.29Å; A25-K28 PolarHBondContact O-N 2.98Å; A25-K28 VanDerWaalsContact O-N 3.16Å; K28-K30 PolarHBondContact O-N 3.02Å; K28-H31 WeakPolarHBondContact O-CB 3.46Å; K28-H31 PolarHBondContact O-N 3.25Å; K28-E32 PolarHBondContact O-N 3.05Å |
| 29 | H | 84.6 | Confident | 75.3 | Confident | 94 Ų | 94 | 94.6 Ų | 94.6 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -26.6 | 177.2 | -165.7 | 58.8 | 0 | 0 | 0 | 113.1 | A25 H27 H31 E32 M33 | A25-H29 PolarHBondContact O-N 2.84Å; H27-H29 VanDerWaalsContact C-N 3.33Å; H27-H29 PolarHBondContact O-N 3.5Å; H29-H31 VanDerWaalsContact C-N 3.32Å; H29-H31 PolarHBondContact O-N 3.09Å; H29-E32 IonicContact CE1-OE2 2.69Å; H29-E32 IonicContact CG-OE2 2.78Å; H29-E32 IonicContact ND1-OE2 2.7Å; H29-E32 PolarHBondContact ND1-OE2 3.22Å; H29-E32 WeakPolarHBondContact O-CB 3.26Å; H29-E32 PolarHBondContact O-N 2.92Å; H29-M33 WeakPolarHBondContact CE1-CE 3.26Å; H29-M33 WeakPolarHBondContact O-CG 3.33Å; H29-M33 PolarHBondContact O-N 2.7Å |
| 30 | K | 81.6 | Confident | 73.2 | Confident | 121 Ų | 121 | 95.7 Ų | 95.7 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -30.6 | 171.8 | -160.1 | -173.7 | 68.4 | 174.6 | 0 | 113 | V26 H27 K28 T34 | V26-K30 PolarHBondContact O-N 2.99Å; H27-K30 VanDerWaalsContact O-CB 3.28Å; H27-K30 WeakPolarHBondContact O-CB 3.23Å; H27-K30 PolarHBondContact O-N 3.49Å; H27-K30 VanDerWaalsContact O-N 3.12Å; K28-K30 PolarHBondContact O-N 3.02Å; K30-T34 WeakPolarHBondContact O-CB 3.27Å; K30-T34 PolarHBondContact O-N 2.69Å; K30-T34 PolarHBondContact O-OG1 3.35Å |
| 31 | H | 78.6 | Confident | 71 | Confident | 59 Ų | 59 | 103.9 Ų | 103.9 | 27% | 0.273 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76.3 | -29.4 | 173.5 | -67.1 | -84.1 | 0 | 0 | 0 | 112.6 | C14 H27 K28 H29 | C14-H31 PolarHBondContact SG-CE1 3.14Å; C14-H31 PolarHBondContact SG-NE2 3.12Å; C14-H31 VanDerWaalsContact SG-NE2 3.38Å; H27-H31 AromaticContact CD2-CD2 3.83Å; H27-H31 AromaticContact CD2-NE2 3.58Å; H27-H31 AromaticContact CE1-NE2 3.75Å; H27-H31 AromaticContact NE2-CD2 3.65Å; H27-H31 AromaticContact NE2-NE2 2.92Å; H27-H31 PolarHBondContact NE2-NE2 2.89Å; H27-H31 PolarHBondContact O-CD2 3.16Å; K28-H31 WeakPolarHBondContact O-CB 3.46Å; K28-H31 PolarHBondContact O-N 3.25Å; H29-H31 VanDerWaalsContact C-N 3.32Å; H29-H31 PolarHBondContact O-N 3.09Å |
| 32 | E | 73.6 | Confident | 69 | Low | 141 Ų | 141 | 105.2 Ų | 105.2 | 66% | 0.659 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.1 | -43.9 | 173.9 | -174.9 | 177.4 | -163.4 | 0 | 0 | 111.1 | K28 H29 T34 | K28-E32 PolarHBondContact O-N 3.05Å; H29-E32 IonicContact CE1-OE2 2.69Å; H29-E32 IonicContact CG-OE2 2.78Å; H29-E32 IonicContact ND1-OE2 2.7Å; H29-E32 PolarHBondContact ND1-OE2 3.22Å; H29-E32 WeakPolarHBondContact O-CB 3.26Å; H29-E32 PolarHBondContact O-N 2.92Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 2.78Å |
| 33 | M | 59 | Low | 66.5 | Low | 135 Ų | 135 | 107.1 Ų | 107.1 | 67% | 0.665 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -83.4 | 5.8 | 178.5 | -64.3 | -65 | 162.8 | 0 | 0 | 114.5 | H29 | H29-M33 WeakPolarHBondContact CE1-CE 3.26Å; H29-M33 WeakPolarHBondContact O-CG 3.33Å; H29-M33 PolarHBondContact O-N 2.7Å |
| 34 | T | 61.7 | Low | 64 | Low | 80 Ų | 80 | 108 Ų | 108 | 49% | 0.491 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -105.7 | 111.4 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 109.8 | K30 E32 K36 | K30-T34 WeakPolarHBondContact O-CB 3.27Å; K30-T34 PolarHBondContact O-N 2.69Å; K30-T34 PolarHBondContact O-OG1 3.35Å; E32-T34 VanDerWaalsContact C-N 3.29Å; E32-T34 PolarHBondContact O-N 2.78Å; T34-K36 PolarHBondContact O-N 3.11Å |
| 35 | L | 51.5 | Low | 61.7 | Low | 116 Ų | 116 | 114.7 Ų | 114.7 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | trans | -54.1 | 124.5 | 174.3 | -67.1 | 176.5 | 0 | 0 | 0 | 110.5 | F37 | L35-F37 VanDerWaalsContact C-N 3.3Å; L35-F37 HydrophobicContact CB-CE2 4.03Å; L35-F37 HydrophobicContact CB-CZ 4.47Å; L35-F37 VanDerWaalsContact O-CD2 3.27Å; L35-F37 WeakPolarHBondContact O-CD2 3.44Å; L35-F37 PolarHBondContact O-N 2.9Å | ||
| 36 | K | 56.3 | Low | 59.9 | Low | 183 Ų | 183 | 119.9 Ų | 119.9 | 80% | 0.796 | 64% | 0.642 | S | S | * | * | trans | -78.3 | 77.2 | -177.1 | -69.7 | -171.6 | 179.4 | 178 | 0 | 111.7 | T34 G38 | T34-K36 PolarHBondContact O-N 3.11Å; K36-G38 PolarHBondContact O-N 2.92Å | ||
| 37 | F | 49.6 | Very low | 57.9 | Low | 115 Ų | 115 | 122.1 Ų | 122.1 | 50% | 0.504 | 65% | 0.648 | S | S | . | * | trans | -56.3 | 122.6 | 157.2 | -59.1 | -79.5 | 0 | 0 | 0 | 108.2 | L35 V64 | L35-F37 VanDerWaalsContact C-N 3.3Å; L35-F37 HydrophobicContact CB-CE2 4.03Å; L35-F37 HydrophobicContact CB-CZ 4.47Å; L35-F37 VanDerWaalsContact O-CD2 3.27Å; L35-F37 WeakPolarHBondContact O-CD2 3.44Å; L35-F37 PolarHBondContact O-N 2.9Å; F37-V64 HydrophobicContact CD1-CG1 4.48Å; F37-V64 HydrophobicContact CE1-CG1 4.19Å | ||
| 38 | G | 46.5 | Very low | 55.9 | Low | 57 Ų | 57 | 126 Ų | 126 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | trans | -62.4 | 166.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K36 A40 | K36-G38 PolarHBondContact O-N 2.92Å; G38-A40 PolarHBondContact O-N 3.03Å | ||
| 39 | P | 44.9 | Very low | 53.9 | Low | 137 Ų | 137 | 127 Ų | 127 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | trans | -53 | 106.4 | -179.1 | -27 | 35.8 | 0 | 0 | 0 | 111.9 | R41 | P39-R41 PolarHBondContact O-N 3.18Š| ||
| 40 | A | 46.7 | Very low | 52.3 | Low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 71% | 0.712 | S | S | * | * | trans | -60.8 | 130.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | G38 T42 | G38-A40 PolarHBondContact O-N 3.03Å; A40-T42 PolarHBondContact O-N 2.87Å; A40-T42 VanDerWaalsContact O-N 3.07Å | ||
| 41 | R | 43.5 | Very low | 51 | Low | 246 Ų | 246 | 130.3 Ų | 130.3 | 93% | 0.928 | 72% | 0.718 | S | S | * | * | trans | -53.9 | 118.1 | -177.9 | -68.8 | 175.6 | 62 | -162.4 | -3.1 | 109.2 | P39 D43 | P39-R41 PolarHBondContact O-N 3.18Å; R41-D43 PolarHBondContact O-N 3.02Å | ||
| 42 | T | 46 | Very low | 49.7 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 85% | 0.847 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -78.9 | 87.7 | -164 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | A40 | A40-T42 PolarHBondContact O-N 2.87Å; A40-T42 VanDerWaalsContact O-N 3.07Å |
| 43 | D | 38.7 | Very low | 49.1 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -142.6 | 41 | 173 | -126.4 | -23.8 | 0 | 0 | 0 | 112.1 | R41 | R41-D43 PolarHBondContact O-N 3.02Š| ||
| 44 | S | 39 | Very low | 49.4 | Very low | 120 Ų | 120 | 126 Ų | 126 | 84% | 0.839 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -152.9 | 121.3 | 172.8 | -74.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 45 | V | 42 | Very low | 49.7 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 88% | 0.879 | 72% | 0.724 | S | S | * | * | trans | -64.8 | 143.3 | -172.5 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | I47 | V45-I47 PolarHBondContact O-N 2.7Š| ||
| 46 | I | 52.8 | Low | 50.7 | Low | 161 Ų | 161 | 129.1 Ų | 129.1 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -52.8 | 120.2 | -177.7 | -57 | 164.7 | 0 | 0 | 0 | 111.9 | ||||
| 47 | I | 44.9 | Very low | 51.4 | Low | 161 Ų | 161 | 125.2 Ų | 125.2 | 83% | 0.826 | 71% | 0.706 | S | S | * | * | trans | -132.6 | 126.9 | 153.5 | -59.7 | -177.2 | 0 | 0 | 0 | 108 | V45 D49 | V45-I47 PolarHBondContact O-N 2.7Å; I47-D49 PolarHBondContact O-N 3.28Å | ||
| 48 | A | 47 | Very low | 52.8 | Low | 98 Ų | 98 | 124.1 Ų | 124.1 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | trans | -92.5 | 95.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 49 | D | 42.8 | Very low | 54.1 | Low | 121 Ų | 121 | 126.8 Ų | 126.8 | 65% | 0.647 | 70% | 0.7 | S | S | * | * | trans | -133.6 | 104.4 | 155 | -173.9 | -12.8 | 0 | 0 | 0 | 108.2 | I47 T51 | I47-D49 PolarHBondContact O-N 3.28Å; D49-T51 PolarHBondContact O-N 3.43Å; D49-T51 PolarHBondContact OD1-N 3.17Å; D49-T51 PolarHBondContact OD1-OG1 2.91Å | ||
| 50 | Q | 51.6 | Low | 55.3 | Low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 67% | 0.667 | S | S | * | * | trans | -89.7 | 38.6 | -176.4 | -89.7 | -77.9 | 47.4 | 0 | 0 | 112.7 | P52 | Q50-P52 WeakPolarHBondContact O-CD 3.21Š| ||
| 51 | T | 53.7 | Low | 56.7 | Low | 105 Ų | 105 | 118.6 Ų | 118.6 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | trans | -111.6 | 87 | 166.6 | -33.5 | 0 | 0 | 0 | 0 | 108.9 | D49 T53 | D49-T51 PolarHBondContact O-N 3.43Å; D49-T51 PolarHBondContact OD1-N 3.17Å; D49-T51 PolarHBondContact OD1-OG1 2.91Å; T51-T53 PolarHBondContact O-N 3.31Å | ||
| 52 | P | 51.3 | Low | 58.2 | Low | 57 Ų | 57 | 113.3 Ų | 113.3 | 37% | 0.37 | 62% | 0.624 | S | S | . | * | trans | -62 | 111 | 173.9 | 26.6 | -32.9 | 0 | 0 | 0 | 108.3 | Q50 F57 | Q50-P52 WeakPolarHBondContact O-CD 3.21Å; P52-F57 HydrophobicContact CB-CB 4.37Å | ||
| 53 | T | 61.9 | Low | 59.6 | Low | 92 Ų | 92 | 112.7 Ų | 112.7 | 56% | 0.564 | 61% | 0.612 | S | S | * | * | trans | -46.8 | 134.3 | 173.1 | -28.6 | 0 | 0 | 0 | 0 | 107.8 | T51 T55 R56 F57 | T51-T53 PolarHBondContact O-N 3.31Å; T53-T55 CarbonylContact O-C 3.6Å; T53-T55 PolarHBondContact O-N 2.72Å; T53-R56 WeakPolarHBondContact O-CA 3.42Å; T53-R56 WeakPolarHBondContact O-CB 3.5Å; T53-R56 PolarHBondContact O-N 3.16Å; T53-F57 PolarHBondContact O-N 3.31Å; T53-F57 VanDerWaalsContact O-N 3.12Å | ||
| 54 | P | 65.9 | Low | 61.2 | Low | 95 Ų | 95 | 109.2 Ų | 109.2 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -53.3 | -32.3 | -169.9 | 13.2 | -28.7 | 0 | 0 | 0 | 113.4 | R56 F57 L58 | P54-R56 PolarHBondContact O-N 3.44Å; P54-F57 PolarHBondContact O-N 3Å; P54-L58 WeakPolarHBondContact O-CB 3.23Å; P54-L58 WeakPolarHBondContact O-CD1 3.2Å; P54-L58 VanDerWaalsContact O-CG 3.22Å; P54-L58 WeakPolarHBondContact O-CG 3.32Å; P54-L58 PolarHBondContact O-N 2.8Å |
| 55 | T | 66.7 | Low | 62.6 | Low | 109 Ų | 109 | 104.8 Ų | 104.8 | 67% | 0.669 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -58.5 | -40.4 | 171 | -31.8 | 0 | 0 | 0 | 0 | 114.2 | T53 K59 | T53-T55 CarbonylContact O-C 3.6Å; T53-T55 PolarHBondContact O-N 2.72Å; T55-K59 WeakPolarHBondContact O-CB 3.48Å; T55-K59 PolarHBondContact O-N 3.1Å |
| 56 | R | 73.1 | Confident | 64 | Low | 153 Ų | 153 | 100.6 Ų | 100.6 | 58% | 0.577 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.9 | -36.4 | 176.2 | -173.2 | 176.4 | -173.9 | -98.6 | -3.8 | 111.7 | T53 P54 K59 N60 | T53-R56 WeakPolarHBondContact O-CA 3.42Å; T53-R56 WeakPolarHBondContact O-CB 3.5Å; T53-R56 PolarHBondContact O-N 3.16Å; P54-R56 PolarHBondContact O-N 3.44Å; R56-K59 PolarHBondContact O-N 3.45Å; R56-N60 WeakPolarHBondContact O-CB 3.47Å; R56-N60 VanDerWaalsContact O-CG 3.25Å; R56-N60 PolarHBondContact O-N 3.05Å; R56-N60 PolarHBondContact O-OD1 3.26Å |
| 57 | F | 71.8 | Confident | 65 | Low | 102 Ų | 102 | 97.8 Ų | 97.8 | 45% | 0.447 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -49.1 | 172.8 | 179.9 | -97.8 | 0 | 0 | 0 | 110.9 | P52 T53 P54 K59 N60 C61 | P52-F57 HydrophobicContact CB-CB 4.37Å; T53-F57 PolarHBondContact O-N 3.31Å; T53-F57 VanDerWaalsContact O-N 3.12Å; P54-F57 PolarHBondContact O-N 3Å; F57-K59 PolarHBondContact O-N 3.26Å; F57-N60 PolarHBondContact O-N 3.27Å; F57-C61 PolarHBondContact O-N 3.48Å; F57-C61 PolarHBondContact O-SG 3.37Å; F57-C61 VanDerWaalsContact O-SG 3.33Å |
| 58 | L | 78.3 | Confident | 66.1 | Low | 91 Ų | 91 | 96 Ų | 96 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 174.9 | -71.9 | 165.8 | 0 | 0 | 0 | 111.9 | P54 N60 C61 E62 F67 | P54-L58 WeakPolarHBondContact O-CB 3.23Å; P54-L58 WeakPolarHBondContact O-CD1 3.2Å; P54-L58 VanDerWaalsContact O-CG 3.22Å; P54-L58 WeakPolarHBondContact O-CG 3.32Å; P54-L58 PolarHBondContact O-N 2.8Å; L58-N60 PolarHBondContact O-N 2.95Å; L58-C61 WeakPolarHBondContact O-CB 3.45Å; L58-C61 PolarHBondContact O-N 3.38Å; L58-C61 VanDerWaalsContact O-N 3.15Å; L58-E62 WeakPolarHBondContact O-CB 3.5Å; L58-E62 PolarHBondContact O-N 2.9Å; L58-F67 HydrophobicContact CD2-CE2 4.48Å; L58-F67 HydrophobicContact CD2-CZ 3.88Å |
| 59 | K | 72.6 | Confident | 67.1 | Low | 114 Ų | 114 | 97.4 Ų | 97.4 | 50% | 0.496 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.5 | -165.7 | 173.3 | -167.8 | -76.7 | 0 | 112.7 | T55 R56 F57 C61 E62 E63 | T55-K59 WeakPolarHBondContact O-CB 3.48Å; T55-K59 PolarHBondContact O-N 3.1Å; R56-K59 PolarHBondContact O-N 3.45Å; F57-K59 PolarHBondContact O-N 3.26Å; K59-C61 VanDerWaalsContact C-N 3.34Å; K59-C61 PolarHBondContact O-N 3.44Å; K59-E62 PolarHBondContact O-N 3.48Å; K59-E63 IonicContact NZ-OE1 2.7Å; K59-E63 PolarHBondContact NZ-OE1 3.17Å; K59-E63 WeakPolarHBondContact O-CB 3.45Å; K59-E63 VanDerWaalsContact O-CG 3.28Å; K59-E63 WeakPolarHBondContact O-CG 3.21Å; K59-E63 PolarHBondContact O-N 3.18Å |
| 60 | N | 71.6 | Confident | 68.3 | Low | 36 Ų | 36 | 96 Ų | 96 | 19% | 0.193 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -63.6 | -39 | 172.8 | -73.4 | 9.8 | 0 | 0 | 0 | 111.5 | R56 F57 L58 E63 V64 | R56-N60 WeakPolarHBondContact O-CB 3.47Å; R56-N60 VanDerWaalsContact O-CG 3.25Å; R56-N60 PolarHBondContact O-N 3.05Å; R56-N60 PolarHBondContact O-OD1 3.26Å; F57-N60 PolarHBondContact O-N 3.27Å; L58-N60 PolarHBondContact O-N 2.95Å; N60-E63 PolarHBondContact O-N 3.38Å; N60-V64 WeakPolarHBondContact O-CG2 3.15Å; N60-V64 PolarHBondContact O-N 3.43Å |
| 61 | C | 75.3 | Confident | 68.9 | Low | 12 Ų | 12 | 89.9 Ų | 89.9 | 8% | 0.081 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66.8 | -36.5 | 176 | -67.9 | 0 | 0 | 0 | 0 | 112.7 | F57 L58 K59 G65 L66 F67 | F57-C61 PolarHBondContact O-N 3.48Å; F57-C61 PolarHBondContact O-SG 3.37Å; F57-C61 VanDerWaalsContact O-SG 3.33Å; L58-C61 WeakPolarHBondContact O-CB 3.45Å; L58-C61 PolarHBondContact O-N 3.38Å; L58-C61 VanDerWaalsContact O-N 3.15Å; K59-C61 VanDerWaalsContact C-N 3.34Å; K59-C61 PolarHBondContact O-N 3.44Å; C61-G65 PolarHBondContact O-N 2.92Å; C61-L66 HydrophobicContact CB-CB 4.45Å; C61-L66 HydrophobicContact CB-CD1 4.27Å; C61-L66 PolarHBondContact O-N 3.5Å; C61-F67 HydrophobicContact CB-CD2 4.42Å; C61-F67 HydrophobicContact CB-CE2 3.79Å; C61-F67 HydrophobicContact CB-CZ 4.3Å |
| 62 | E | 75.8 | Confident | 69.5 | Low | 134 Ų | 134 | 87.5 Ų | 87.5 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.1 | -45.6 | 172.1 | -173.2 | 176.1 | -151.1 | 0 | 0 | 111.3 | L58 K59 V64 G65 F67 | L58-E62 WeakPolarHBondContact O-CB 3.5Å; L58-E62 PolarHBondContact O-N 2.9Å; K59-E62 PolarHBondContact O-N 3.48Å; E62-V64 VanDerWaalsContact C-N 3.35Å; E62-V64 PolarHBondContact O-N 3.24Å; E62-G65 PolarHBondContact O-N 3.36Å; E62-F67 HydrophobicContact CB-CD2 4.15Å; E62-F67 HydrophobicContact CB-CE2 4.43Å |
| 63 | E | 73.8 | Confident | 70.3 | Confident | 126 Ų | 126 | 88.4 Ų | 88.4 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.6 | -29.4 | 178 | -76.4 | 172.9 | -172.2 | 0 | 0 | 114.2 | K59 N60 G65 | K59-E63 IonicContact NZ-OE1 2.7Å; K59-E63 PolarHBondContact NZ-OE1 3.17Å; K59-E63 WeakPolarHBondContact O-CB 3.45Å; K59-E63 VanDerWaalsContact O-CG 3.28Å; K59-E63 WeakPolarHBondContact O-CG 3.21Å; K59-E63 PolarHBondContact O-N 3.18Å; N60-E63 PolarHBondContact O-N 3.38Å; E63-G65 VanDerWaalsContact C-N 3.35Å |
| 64 | V | 72.4 | Confident | 70.3 | Confident | 82 Ų | 82 | 90 Ų | 90 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 6.7 | 170.9 | -54 | 0 | 0 | 0 | 0 | 113.6 | F37 N60 E62 L66 | F37-V64 HydrophobicContact CD1-CG1 4.48Å; F37-V64 HydrophobicContact CE1-CG1 4.19Å; N60-V64 WeakPolarHBondContact O-CG2 3.15Å; N60-V64 PolarHBondContact O-N 3.43Å; E62-V64 VanDerWaalsContact C-N 3.35Å; E62-V64 PolarHBondContact O-N 3.24Å; V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CG2-CB 4.48Å; V64-L66 HydrophobicContact CG2-CD1 3.82Å; V64-L66 HydrophobicContact CG2-CG 3.95Å; V64-L66 PolarHBondContact O-N 3.05Å |
| 65 | G | 69.3 | Low | 70.5 | Confident | 28 Ų | 28 | 92.3 Ų | 92.3 | 29% | 0.289 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 7.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | C61 E62 E63 F67 N68 E69 | C61-G65 PolarHBondContact O-N 2.92Å; E62-G65 PolarHBondContact O-N 3.36Å; E63-G65 VanDerWaalsContact C-N 3.35Å; G65-F67 PolarHBondContact O-N 3.41Å; G65-F67 VanDerWaalsContact O-N 3.15Å; G65-N68 WeakPolarHBondContact O-CA 3.46Å; G65-N68 WeakPolarHBondContact O-CB 3.44Å; G65-N68 PolarHBondContact O-N 3.34Å; G65-E69 PolarHBondContact O-N 3.24Å |
| 66 | L | 72.1 | Confident | 70.5 | Confident | 56 Ų | 56 | 93.6 Ų | 93.6 | 29% | 0.293 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56 | -35.1 | -176.7 | -88.8 | 164.9 | 0 | 0 | 0 | 113.2 | C61 V64 N68 E69 L70 | C61-L66 HydrophobicContact CB-CB 4.45Å; C61-L66 HydrophobicContact CB-CD1 4.27Å; C61-L66 PolarHBondContact O-N 3.5Å; V64-L66 VanDerWaalsContact C-N 3.33Å; V64-L66 HydrophobicContact CG2-CB 4.48Å; V64-L66 HydrophobicContact CG2-CD1 3.82Å; V64-L66 HydrophobicContact CG2-CG 3.95Å; V64-L66 PolarHBondContact O-N 3.05Å; L66-N68 VanDerWaalsContact C-N 3.35Å; L66-E69 PolarHBondContact O-N 3.35Å; L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 WeakPolarHBondContact O-CD1 3.42Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.96Å |
| 67 | F | 72.2 | Confident | 70.3 | Confident | 102 Ų | 102 | 92.5 Ų | 92.5 | 45% | 0.447 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.8 | -31.4 | 176.3 | -68.1 | -63.9 | 0 | 0 | 0 | 113.1 | L58 C61 E62 G65 A71 | L58-F67 HydrophobicContact CD2-CE2 4.48Å; L58-F67 HydrophobicContact CD2-CZ 3.88Å; C61-F67 HydrophobicContact CB-CD2 4.42Å; C61-F67 HydrophobicContact CB-CE2 3.79Å; C61-F67 HydrophobicContact CB-CZ 4.3Å; E62-F67 HydrophobicContact CB-CD2 4.15Å; E62-F67 HydrophobicContact CB-CE2 4.43Å; G65-F67 PolarHBondContact O-N 3.41Å; G65-F67 VanDerWaalsContact O-N 3.15Å; F67-A71 VanDerWaalsContact O-CB 3.25Å; F67-A71 WeakPolarHBondContact O-CB 3.22Å; F67-A71 PolarHBondContact O-N 3.09Å |
| 68 | N | 69.3 | Low | 70.3 | Confident | 123 Ų | 123 | 94.9 Ų | 94.9 | 66% | 0.658 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.7 | -42.6 | 174.6 | -172.8 | 87.2 | 0 | 0 | 0 | 110.8 | G65 L66 A71 S72 | G65-N68 WeakPolarHBondContact O-CA 3.46Å; G65-N68 WeakPolarHBondContact O-CB 3.44Å; G65-N68 PolarHBondContact O-N 3.34Å; L66-N68 VanDerWaalsContact C-N 3.35Å; N68-A71 PolarHBondContact O-N 3.35Å; N68-S72 WeakPolarHBondContact O-CB 3.49Å; N68-S72 PolarHBondContact O-N 3.03Å; N68-S72 PolarHBondContact O-OG 3.09Å |
| 69 | E | 68.5 | Low | 70 | Confident | 128 Ų | 128 | 96.2 Ų | 96.2 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 176 | -170.6 | 171.7 | -141.3 | 0 | 0 | 111.9 | G65 L66 S72 S73 | G65-E69 PolarHBondContact O-N 3.24Å; L66-E69 PolarHBondContact O-N 3.35Å; E69-S72 PolarHBondContact O-OG 3.44Å; E69-S72 VanDerWaalsContact O-OG 3.07Å; E69-S73 WeakPolarHBondContact O-CB 3.24Å; E69-S73 PolarHBondContact O-N 3.38Å |
| 70 | L | 66.1 | Low | 70 | Confident | 92 Ų | 92 | 97.4 Ų | 97.4 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 173.2 | -75.1 | 166.8 | 0 | 0 | 0 | 112.2 | L66 S73 F74 | L66-L70 WeakPolarHBondContact O-CB 3.47Å; L66-L70 WeakPolarHBondContact O-CD1 3.42Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.46Å; L66-L70 PolarHBondContact O-N 2.96Å; L70-S73 PolarHBondContact O-N 2.96Å; L70-F74 WeakPolarHBondContact O-CD2 3.35Å; L70-F74 PolarHBondContact O-N 3.1Å; L70-F74 VanDerWaalsContact O-N 3.14Å |
| 71 | A | 65.6 | Low | 69.9 | Low | 51 Ų | 51 | 98.7 Ų | 98.7 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F67 N68 S73 F74 E75 | F67-A71 VanDerWaalsContact O-CB 3.25Å; F67-A71 WeakPolarHBondContact O-CB 3.22Å; F67-A71 PolarHBondContact O-N 3.09Å; N68-A71 PolarHBondContact O-N 3.35Å; A71-S73 VanDerWaalsContact C-N 3.29Å; A71-S73 PolarHBondContact O-N 3.49Å; A71-F74 PolarHBondContact O-N 3.38Å; A71-E75 PolarHBondContact O-N 3.19Å |
| 72 | S | 66.5 | Low | 69.7 | Low | 55 Ų | 55 | 100.7 Ų | 100.7 | 39% | 0.385 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.2 | -31.2 | 178.2 | 58.9 | 0 | 0 | 0 | 0 | 112.9 | N68 E69 H76 | N68-S72 WeakPolarHBondContact O-CB 3.49Å; N68-S72 PolarHBondContact O-N 3.03Å; N68-S72 PolarHBondContact O-OG 3.09Å; E69-S72 PolarHBondContact O-OG 3.44Å; E69-S72 VanDerWaalsContact O-OG 3.07Å; S72-H76 WeakPolarHBondContact O-CB 3.32Å; S72-H76 PolarHBondContact O-N 3.07Å |
| 73 | S | 68.3 | Low | 69.5 | Low | 76 Ų | 76 | 97.2 Ų | 97.2 | 53% | 0.531 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 174.4 | -171.8 | 0 | 0 | 0 | 0 | 111.4 | E69 L70 A71 E77 | E69-S73 WeakPolarHBondContact O-CB 3.24Å; E69-S73 PolarHBondContact O-N 3.38Å; L70-S73 PolarHBondContact O-N 2.96Å; A71-S73 VanDerWaalsContact C-N 3.29Å; A71-S73 PolarHBondContact O-N 3.49Å; S73-E77 PolarHBondContact O-N 2.85Å; S73-E77 VanDerWaalsContact O-N 3.07Å |
| 74 | F | 60.6 | Low | 69.4 | Low | 124 Ų | 124 | 96 Ų | 96 | 54% | 0.544 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 174.9 | -76.7 | -63.5 | 0 | 0 | 0 | 112.1 | L70 A71 H76 E77 F78 | L70-F74 WeakPolarHBondContact O-CD2 3.35Å; L70-F74 PolarHBondContact O-N 3.1Å; L70-F74 VanDerWaalsContact O-N 3.14Å; A71-F74 PolarHBondContact O-N 3.38Å; F74-H76 VanDerWaalsContact C-N 3.29Å; F74-H76 PolarHBondContact O-N 3.47Å; F74-E77 PolarHBondContact O-N 3.49Å; F74-F78 VanDerWaalsContact O-CD2 3.24Å; F74-F78 WeakPolarHBondContact O-CD2 3.44Å; F74-F78 PolarHBondContact O-N 3.02Å |
| 75 | E | 71.3 | Confident | 69.4 | Low | 145 Ų | 145 | 96.4 Ų | 96.4 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.4 | -42 | 176.8 | -73.3 | -171.5 | 156.3 | 0 | 0 | 111.9 | A71 F78 K79 | A71-E75 PolarHBondContact O-N 3.19Å; E75-F78 PolarHBondContact O-N 3.14Å; E75-K79 WeakPolarHBondContact O-CB 3.21Å; E75-K79 PolarHBondContact O-N 3.4Å |
| 76 | H | 65.8 | Low | 69.7 | Low | 135 Ų | 135 | 99.6 Ų | 99.6 | 63% | 0.625 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.9 | -36.1 | 177.5 | -173.9 | -101.7 | 0 | 0 | 0 | 112.6 | S72 F74 K80 | S72-H76 WeakPolarHBondContact O-CB 3.32Å; S72-H76 PolarHBondContact O-N 3.07Å; F74-H76 VanDerWaalsContact C-N 3.29Å; F74-H76 PolarHBondContact O-N 3.47Å; H76-K80 WeakPolarHBondContact O-CB 3.47Å; H76-K80 PolarHBondContact O-N 2.95Å |
| 77 | E | 70.3 | Confident | 69.8 | Low | 130 Ų | 130 | 102.8 Ų | 102.8 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.4 | -46 | 174.8 | -172.9 | 164.5 | -129.8 | 0 | 0 | 112.1 | S73 F74 K79 K80 A81 | S73-E77 PolarHBondContact O-N 2.85Å; S73-E77 VanDerWaalsContact O-N 3.07Å; F74-E77 PolarHBondContact O-N 3.49Å; E77-K79 VanDerWaalsContact C-N 3.35Å; E77-K79 PolarHBondContact O-N 3.17Å; E77-K80 PolarHBondContact O-N 3.33Å; E77-A81 WeakPolarHBondContact O-CB 3.25Å; E77-A81 PolarHBondContact O-N 3.13Å |
| 78 | F | 70.6 | Confident | 69.8 | Low | 152 Ų | 152 | 104.3 Ų | 104.3 | 67% | 0.667 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 173.7 | -79.9 | -67.4 | 0 | 0 | 0 | 112.3 | F74 E75 A81 A82 | F74-F78 VanDerWaalsContact O-CD2 3.24Å; F74-F78 WeakPolarHBondContact O-CD2 3.44Å; F74-F78 PolarHBondContact O-N 3.02Å; E75-F78 PolarHBondContact O-N 3.14Å; F78-A81 PolarHBondContact O-N 3.29Å; F78-A82 PolarHBondContact O-N 2.92Å |
| 79 | K | 72.4 | Confident | 69.7 | Low | 119 Ų | 119 | 100.3 Ų | 100.3 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 177.1 | -177 | 57.2 | 179.4 | 144.1 | 0 | 111.4 | E75 E77 A81 A82 D83 | E75-K79 WeakPolarHBondContact O-CB 3.21Å; E75-K79 PolarHBondContact O-N 3.4Å; E77-K79 VanDerWaalsContact C-N 3.35Å; E77-K79 PolarHBondContact O-N 3.17Å; K79-A81 VanDerWaalsContact C-N 3.34Å; K79-A81 PolarHBondContact O-N 3Å; K79-A82 PolarHBondContact O-N 3.05Å; K79-D83 WeakPolarHBondContact CE-OD2 3.35Å; K79-D83 IonicContact NZ-OD1 2.99Å; K79-D83 PolarHBondContact NZ-OD1 3.13Å; K79-D83 IonicContact NZ-OD2 3.3Å; K79-D83 PolarHBondContact NZ-OD2 3.24Å; K79-D83 VanDerWaalsContact O-CG 3.3Å; K79-D83 PolarHBondContact O-N 3.21Å |
| 80 | K | 72.9 | Confident | 69.7 | Low | 139 Ų | 139 | 101.7 Ų | 101.7 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -38 | 176.2 | -176.3 | -179.8 | 177.7 | -174.2 | 0 | 112.7 | H76 E77 E84 | H76-K80 WeakPolarHBondContact O-CB 3.47Å; H76-K80 PolarHBondContact O-N 2.95Å; E77-K80 PolarHBondContact O-N 3.33Å; K80-E84 PolarHBondContact O-N 3.11Å; K80-E84 VanDerWaalsContact O-N 3.16Å |
| 81 | A | 68.4 | Low | 69.7 | Low | 63 Ų | 63 | 101.2 Ų | 101.2 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E77 F78 K79 E84 D85 | E77-A81 WeakPolarHBondContact O-CB 3.25Å; E77-A81 PolarHBondContact O-N 3.13Å; F78-A81 PolarHBondContact O-N 3.29Å; K79-A81 VanDerWaalsContact C-N 3.34Å; K79-A81 PolarHBondContact O-N 3Å; A81-E84 PolarHBondContact O-N 3.48Å; A81-D85 PolarHBondContact O-N 2.99Å |
| 82 | A | 72.2 | Confident | 69.7 | Low | 55 Ų | 55 | 105 Ų | 105 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F78 K79 E84 D85 E86 | F78-A82 PolarHBondContact O-N 2.92Å; K79-A82 PolarHBondContact O-N 3.05Å; A82-E84 PolarHBondContact O-N 3.05Å; A82-D85 PolarHBondContact O-N 3.24Å; A82-E86 WeakPolarHBondContact O-CB 3.41Å; A82-E86 PolarHBondContact O-N 2.88Å |
| 83 | D | 70.5 | Confident | 69.5 | Low | 60 Ų | 60 | 106.7 Ų | 106.7 | 32% | 0.321 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.6 | -23.7 | 179.6 | -65.2 | -25.9 | 0 | 0 | 0 | 112.3 | K79 K87 | K79-D83 WeakPolarHBondContact CE-OD2 3.35Å; K79-D83 IonicContact NZ-OD1 2.99Å; K79-D83 PolarHBondContact NZ-OD1 3.13Å; K79-D83 IonicContact NZ-OD2 3.3Å; K79-D83 PolarHBondContact NZ-OD2 3.24Å; K79-D83 VanDerWaalsContact O-CG 3.3Å; K79-D83 PolarHBondContact O-N 3.21Å; D83-K87 WeakPolarHBondContact O-CD 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.29Å; D83-K87 WeakPolarHBondContact O-CG 3.49Å; D83-K87 PolarHBondContact O-N 3.48Å |
| 84 | E | 71.6 | Confident | 69.3 | Low | 102 Ų | 102 | 107.4 Ų | 107.4 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -75.4 | -43.1 | 170.7 | -83 | -62.1 | 115.7 | 0 | 0 | 113.5 | K80 A81 A82 E86 K87 K88 | K80-E84 PolarHBondContact O-N 3.11Å; K80-E84 VanDerWaalsContact O-N 3.16Å; A81-E84 PolarHBondContact O-N 3.48Å; A82-E84 PolarHBondContact O-N 3.05Å; E84-E86 VanDerWaalsContact C-N 3.33Å; E84-K87 PolarHBondContact O-N 2.96Å; E84-K87 WeakPolarHBondContact OE1-CD 3.29Å; E84-K87 IonicContact OE1-NZ 2.78Å; E84-K87 PolarHBondContact OE1-NZ 3.38Å; E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 2.93Å |
| 85 | D | 74 | Confident | 69.4 | Low | 89 Ų | 89 | 104 Ų | 104 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -33 | 175.8 | -146 | -75.7 | 0 | 0 | 0 | 111.6 | A81 A82 K88 A89 R92 | A81-D85 PolarHBondContact O-N 2.99Å; A82-D85 PolarHBondContact O-N 3.24Å; D85-K88 CarbonylContact O-C 3.49Å; D85-K88 PolarHBondContact O-N 3.34Å; D85-K88 VanDerWaalsContact O-N 3.17Å; D85-A89 VanDerWaalsContact O-CB 3.26Å; D85-A89 WeakPolarHBondContact O-CB 3.15Å; D85-A89 PolarHBondContact O-N 3.31Å; D85-R92 IonicContact OD1-CZ 3.7Å; D85-R92 IonicContact OD1-NH2 3.92Å; D85-R92 PolarHBondContact OD1-NH2 3.37Å; D85-R92 IonicContact OD2-NH2 3.89Å |
| 86 | E | 73.8 | Confident | 68.8 | Low | 96 Ų | 96 | 105 Ų | 105 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -52.2 | -53.5 | 166.8 | -100.6 | -89.8 | 175.5 | 0 | 0 | 111.9 | A82 E84 K88 A89 R90 | A82-E86 WeakPolarHBondContact O-CB 3.41Å; A82-E86 PolarHBondContact O-N 2.88Å; E84-E86 VanDerWaalsContact C-N 3.33Å; E86-K88 VanDerWaalsContact C-N 3.33Å; E86-K88 PolarHBondContact O-N 3.27Å; E86-A89 PolarHBondContact O-N 3.03Å; E86-R90 VanDerWaalsContact O-CG 3.3Å; E86-R90 WeakPolarHBondContact O-CG 3.34Å; E86-R90 PolarHBondContact O-N 3.14Å; E86-R90 IonicContact OE1-NH2 2.69Å; E86-R90 IonicContact OE2-CZ 3.12Å; E86-R90 IonicContact OE2-NE 2.7Å; E86-R90 PolarHBondContact OE2-NE 3.02Å; E86-R90 IonicContact OE2-NH2 2.64Å; E86-R90 PolarHBondContact OE2-NH2 3.31Å |
| 87 | K | 75.9 | Confident | 68.4 | Low | 123 Ų | 123 | 106.5 Ų | 106.5 | 54% | 0.535 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 174.9 | -70.8 | 165.9 | -165.2 | 167 | 0 | 112.1 | D83 E84 A89 R90 S91 | D83-K87 WeakPolarHBondContact O-CD 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.29Å; D83-K87 WeakPolarHBondContact O-CG 3.49Å; D83-K87 PolarHBondContact O-N 3.48Å; E84-K87 PolarHBondContact O-N 2.96Å; E84-K87 WeakPolarHBondContact OE1-CD 3.29Å; E84-K87 IonicContact OE1-NZ 2.78Å; E84-K87 PolarHBondContact OE1-NZ 3.38Å; K87-A89 VanDerWaalsContact C-N 3.33Å; K87-A89 PolarHBondContact O-N 3.06Å; K87-R90 PolarHBondContact O-N 2.98Å; K87-S91 WeakPolarHBondContact O-CB 3.36Å; K87-S91 PolarHBondContact O-N 3.45Å |
| 88 | K | 70.5 | Confident | 67.8 | Low | 133 Ų | 133 | 106.3 Ų | 106.3 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.3 | -32.5 | 179.3 | -159.6 | 169.9 | -172.8 | 172.9 | 0 | 111.8 | E84 D85 E86 R92 | E84-K88 WeakPolarHBondContact O-CB 3.43Å; E84-K88 PolarHBondContact O-N 2.93Å; D85-K88 CarbonylContact O-C 3.49Å; D85-K88 PolarHBondContact O-N 3.34Å; D85-K88 VanDerWaalsContact O-N 3.17Å; E86-K88 VanDerWaalsContact C-N 3.33Å; E86-K88 PolarHBondContact O-N 3.27Å; K88-R92 WeakPolarHBondContact O-CB 3.47Å; K88-R92 VanDerWaalsContact O-CG 3.26Å; K88-R92 WeakPolarHBondContact O-CG 3.42Å; K88-R92 PolarHBondContact O-N 2.88Å; K88-R92 PolarHBondContact O-NE 3.04Å |
| 89 | A | 67.4 | Low | 67.2 | Low | 39 Ų | 39 | 104.5 Ų | 104.5 | 32% | 0.322 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.1 | -44.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D85 E86 K87 S91 R92 T93 | D85-A89 VanDerWaalsContact O-CB 3.26Å; D85-A89 WeakPolarHBondContact O-CB 3.15Å; D85-A89 PolarHBondContact O-N 3.31Å; E86-A89 PolarHBondContact O-N 3.03Å; K87-A89 VanDerWaalsContact C-N 3.33Å; K87-A89 PolarHBondContact O-N 3.06Å; A89-S91 PolarHBondContact O-N 3.12Å; A89-R92 PolarHBondContact O-N 3.08Å; A89-T93 PolarHBondContact O-N 3.26Å; A89-T93 PolarHBondContact O-OG1 3.14Å |
| 90 | R | 69.3 | Low | 66 | Low | 158 Ų | 158 | 102.9 Ų | 102.9 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.3 | -41.6 | 173.4 | -68.7 | 170.3 | -168.2 | -105.7 | -1.1 | 112.2 | E86 K87 T93 V94 | E86-R90 VanDerWaalsContact O-CG 3.3Å; E86-R90 WeakPolarHBondContact O-CG 3.34Å; E86-R90 PolarHBondContact O-N 3.14Å; E86-R90 IonicContact OE1-NH2 2.69Å; E86-R90 IonicContact OE2-CZ 3.12Å; E86-R90 IonicContact OE2-NE 2.7Å; E86-R90 PolarHBondContact OE2-NE 3.02Å; E86-R90 IonicContact OE2-NH2 2.64Å; E86-R90 PolarHBondContact OE2-NH2 3.31Å; K87-R90 PolarHBondContact O-N 2.98Å; R90-T93 WeakPolarHBondContact CA-OG1 3.47Å; R90-T93 PolarHBondContact O-N 3.33Å; R90-T93 PolarHBondContact O-OG1 3.07Å; R90-T93 VanDerWaalsContact O-OG1 3.09Å; R90-V94 VanDerWaalsContact O-CG2 3.32Å; R90-V94 WeakPolarHBondContact O-CG2 3.35Å; R90-V94 PolarHBondContact O-N 2.96Å |
| 91 | S | 65.7 | Low | 64.6 | Low | 81 Ų | 81 | 100.3 Ų | 100.3 | 57% | 0.566 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.8 | -45 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 112 | K87 A89 T93 V94 A95 | K87-S91 WeakPolarHBondContact O-CB 3.36Å; K87-S91 PolarHBondContact O-N 3.45Å; A89-S91 PolarHBondContact O-N 3.12Å; S91-T93 PolarHBondContact O-N 2.92Å; S91-V94 PolarHBondContact O-N 3.22Å; S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 3.5Å |
| 92 | R | 65.6 | Low | 63.3 | Low | 131 Ų | 131 | 101 Ų | 101 | 49% | 0.494 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.2 | -40.2 | 174.2 | -78.2 | 173.1 | -73 | -176.1 | 0.2 | 112.7 | D85 K88 A89 K96 | D85-R92 IonicContact OD1-CZ 3.7Å; D85-R92 IonicContact OD1-NH2 3.92Å; D85-R92 PolarHBondContact OD1-NH2 3.37Å; D85-R92 IonicContact OD2-NH2 3.89Å; K88-R92 WeakPolarHBondContact O-CB 3.47Å; K88-R92 VanDerWaalsContact O-CG 3.26Å; K88-R92 WeakPolarHBondContact O-CG 3.42Å; K88-R92 PolarHBondContact O-N 2.88Å; K88-R92 PolarHBondContact O-NE 3.04Å; A89-R92 PolarHBondContact O-N 3.08Å; R92-K96 WeakPolarHBondContact O-CB 3.27Å; R92-K96 PolarHBondContact O-N 3.41Å |
| 93 | T | 62.5 | Low | 61.7 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.6 | -33.3 | 178 | 50.4 | 0 | 0 | 0 | 0 | 113.3 | A89 R90 S91 K96 K97 | A89-T93 PolarHBondContact O-N 3.26Å; A89-T93 PolarHBondContact O-OG1 3.14Å; R90-T93 WeakPolarHBondContact CA-OG1 3.47Å; R90-T93 PolarHBondContact O-N 3.33Å; R90-T93 PolarHBondContact O-OG1 3.07Å; R90-T93 VanDerWaalsContact O-OG1 3.09Å; S91-T93 PolarHBondContact O-N 2.92Å; T93-K96 PolarHBondContact O-N 3.36Å; T93-K97 VanDerWaalsContact O-CB 3.32Å; T93-K97 WeakPolarHBondContact O-CB 3.48Å; T93-K97 PolarHBondContact O-N 2.9Å |
| 94 | V | 64.4 | Low | 60.7 | Low | 91 Ų | 91 | 104.7 Ų | 104.7 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.7 | -47 | 170.4 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | R90 S91 K96 K97 L98 | R90-V94 VanDerWaalsContact O-CG2 3.32Å; R90-V94 WeakPolarHBondContact O-CG2 3.35Å; R90-V94 PolarHBondContact O-N 2.96Å; S91-V94 PolarHBondContact O-N 3.22Å; V94-K96 VanDerWaalsContact C-N 3.35Å; V94-K96 PolarHBondContact O-N 3.36Å; V94-K97 PolarHBondContact O-N 3.01Å; V94-L98 HydrophobicContact CG1-CD1 4.21Å; V94-L98 WeakPolarHBondContact O-CG 3.24Å; V94-L98 PolarHBondContact O-N 2.94Å |
| 95 | A | 61.6 | Low | 59 | Low | 54 Ų | 54 | 108.1 Ų | 108.1 | 45% | 0.446 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S91 K97 L98 V99 | S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 3.5Å; A95-K97 VanDerWaalsContact C-N 3.32Å; A95-K97 PolarHBondContact O-N 3.03Å; A95-L98 PolarHBondContact O-N 2.89Å; A95-V99 PolarHBondContact O-N 3.25Å; A95-V99 VanDerWaalsContact O-N 3.12Å |
| 96 | K | 59.3 | Low | 57.4 | Low | 164 Ų | 164 | 109.6 Ų | 109.6 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.2 | -30.9 | 178.4 | -152.7 | 168.3 | -171.5 | 178 | 0 | 112.8 | R92 T93 V94 A100 | R92-K96 WeakPolarHBondContact O-CB 3.27Å; R92-K96 PolarHBondContact O-N 3.41Å; T93-K96 PolarHBondContact O-N 3.36Å; V94-K96 VanDerWaalsContact C-N 3.35Å; V94-K96 PolarHBondContact O-N 3.36Å; K96-A100 WeakPolarHBondContact O-CB 3.41Å; K96-A100 PolarHBondContact O-N 3.34Å; K96-A100 VanDerWaalsContact O-N 3.14Å |
| 97 | K | 57.2 | Low | 55.6 | Low | 167 Ų | 167 | 113 Ų | 113 | 73% | 0.726 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.1 | -32.5 | 173.9 | -173 | 171.6 | -179.4 | 177.3 | 0 | 112.9 | T93 V94 A95 A100 A101 | T93-K97 VanDerWaalsContact O-CB 3.32Å; T93-K97 WeakPolarHBondContact O-CB 3.48Å; T93-K97 PolarHBondContact O-N 2.9Å; V94-K97 PolarHBondContact O-N 3.01Å; A95-K97 VanDerWaalsContact C-N 3.32Å; A95-K97 PolarHBondContact O-N 3.03Å; K97-A100 PolarHBondContact O-N 3.02Å; K97-A101 PolarHBondContact O-N 3.3Å |
| 98 | L | 57.7 | Low | 53.8 | Low | 126 Ų | 126 | 111.5 Ų | 111.5 | 66% | 0.66 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67.7 | -42.1 | 172.5 | -74.2 | 163.7 | 0 | 0 | 0 | 111.6 | V94 A95 A100 A101 | V94-L98 HydrophobicContact CG1-CD1 4.21Å; V94-L98 WeakPolarHBondContact O-CG 3.24Å; V94-L98 PolarHBondContact O-N 2.94Å; A95-L98 PolarHBondContact O-N 2.89Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.96Å; L98-A101 WeakPolarHBondContact O-CB 3.33Å; L98-A101 PolarHBondContact O-N 3.39Å |
| 99 | V | 57.3 | Low | 52.4 | Low | 115 Ų | 115 | 113.2 Ų | 113.2 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62.6 | -39.5 | 174.2 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | A95 A101 A102 | A95-V99 PolarHBondContact O-N 3.25Å; A95-V99 VanDerWaalsContact O-N 3.12Å; V99-A101 PolarHBondContact O-N 3.02Å; V99-A102 PolarHBondContact O-N 3.37Å |
| 100 | A | 49 | Very low | 50.8 | Low | 84 Ų | 84 | 117.2 Ų | 117.2 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -4.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | K96 K97 L98 | K96-A100 WeakPolarHBondContact O-CB 3.41Å; K96-A100 PolarHBondContact O-N 3.34Å; K96-A100 VanDerWaalsContact O-N 3.14Å; K97-A100 PolarHBondContact O-N 3.02Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 2.96Å |
| 101 | A | 42.7 | Very low | 49.1 | Very low | 85 Ų | 85 | 115.2 Ų | 115.2 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -9.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K97 L98 V99 | K97-A101 PolarHBondContact O-N 3.3Å; L98-A101 WeakPolarHBondContact O-CB 3.33Å; L98-A101 PolarHBondContact O-N 3.39Å; V99-A101 PolarHBondContact O-N 3.02Å |
| 102 | A | 40.6 | Very low | 47.8 | Very low | 78 Ų | 78 | 117.2 Ų | 117.2 | 65% | 0.645 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -87.8 | 114.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V99 | V99-A102 PolarHBondContact O-N 3.37Š|
| 103 | G | 39.3 | Very low | 46.3 | Very low | 66 Ų | 66 | 117.3 Ų | 117.3 | 68% | 0.68 | 72% | 0.716 | S | S | * | * | trans | -64 | 157.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 104 | P | 48.9 | Very low | 44.7 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 83% | 0.825 | 73% | 0.725 | S | S | * | * | trans | -80.3 | 145.3 | -161.5 | 31.8 | -36.2 | 0 | 0 | 0 | 113.6 | ||||
| 105 | L | 35.8 | Very low | 42.9 | Very low | 174 Ų | 174 | 121.8 Ų | 121.8 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | trans | -120.7 | 130 | 148.9 | -73.8 | 177.8 | 0 | 0 | 0 | 108.8 | ||||
| 106 | D | 40.3 | Very low | 41.4 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -60.3 | 135.8 | 171.1 | 165.5 | 40.6 | 0 | 0 | 0 | 111 | ||||
| 107 | M | 37.4 | Very low | 40.2 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | trans | -151.1 | 136.5 | 142.5 | -95.9 | -55.3 | 93.7 | 0 | 0 | 110.1 | ||||
| 108 | S | 36.4 | Very low | 38.8 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 153.3 | -164.7 | -36.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 109 | L | 41.4 | Very low | 37.4 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 134 | 170.6 | -66.8 | 171.8 | 0 | 0 | 0 | 111.5 | ||
| 110 | P | 33.7 | Very low | 36 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 137.8 | 156.7 | -9.8 | 28.2 | 0 | 0 | 0 | 110.7 | ||
| 111 | S | 33.4 | Very low | 35.1 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 164.9 | -175.8 | -59 | 0 | 0 | 0 | 0 | 115 | ||
| 112 | T | 39.1 | Very low | 34.6 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 145.7 | 164.9 | 46 | 0 | 0 | 0 | 0 | 112.8 | ||
| 113 | P | 34 | Very low | 34.3 | Very low | 134 Ų | 134 | 138 Ų | 138 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 155.3 | 165.5 | 32.5 | -34 | 0 | 0 | 0 | 111.7 | ||
| 114 | D | 28.4 | Very low | 34.1 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -125.8 | 171.9 | -148.8 | -150.4 | -23.2 | 0 | 0 | 0 | 113.3 | ||||
| 115 | I | 28.1 | Very low | 33.5 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | trans | 69.1 | 129.6 | 160.1 | -62.4 | 156.6 | 0 | 0 | 0 | 115.6 | ||||
| 116 | K | 29.7 | Very low | 33.2 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | cis | -157.1 | 171.1 | 47.1 | -149.2 | 149.9 | -170 | 172 | 0 | 114.2 | ||||
| 117 | I | 33.7 | Very low | 32.6 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -130.5 | 137.7 | -164.2 | -58.5 | 159.1 | 0 | 0 | 0 | 112.8 | ||||
| 118 | K | 28.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 138 Ų | 138 | 70% | 0.7 | 76% | 0.764 | S | S | * | * | trans | 173.8 | 157.7 | 139.6 | -104.8 | -169.8 | 162.9 | -146.4 | 0 | 109.7 | ||||
| 119 | E | 28.7 | Very low | 33.1 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 65% | 0.654 | 77% | 0.77 | S | S | * | * | cis | -146.7 | -167 | 12.7 | -151 | 146.1 | -159.2 | 0 | 0 | 112.6 | ||||
| 120 | E | 28.1 | Very low | 33.1 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -66.8 | 176.6 | -173.6 | -64 | 148.5 | 88.1 | 0 | 0 | 114.4 | ||||
| 121 | E | 29.8 | Very low | 32.9 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -156.8 | 150.4 | 17.8 | -168.4 | -170.7 | -177.1 | 0 | 0 | 111.5 | V123 | E121-V123 HydrophobicContact CG-CG2 4.22Å; E121-V123 WeakPolarHBondContact OE2-CG2 3.37Å | ||
| 122 | P | 31.9 | Very low | 33.1 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -108.7 | 103.3 | 162.6 | 34.9 | -22.6 | 0 | 0 | 0 | 112.5 | ||||
| 123 | V | 33.3 | Very low | 33.2 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | -76.9 | 147.7 | 179.6 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | E121 | E121-V123 HydrophobicContact CG-CG2 4.22Å; E121-V123 WeakPolarHBondContact OE2-CG2 3.37Å | ||
| 124 | E | 36.8 | Very low | 33 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -69.9 | 153.9 | -173.6 | -50 | 177.4 | 131.1 | 0 | 0 | 114.8 | ||||
| 125 | V | 35.1 | Very low | 33.1 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | -155.7 | 133 | 128.9 | 130.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 126 | D | 29.3 | Very low | 33.4 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | trans | -42.5 | 160.2 | 173.7 | 174.3 | 42.9 | 0 | 0 | 0 | 117.5 | S128 | D126-S128 WeakPolarHBondContact OD1-CB 3.27Å; D126-S128 PolarHBondContact OD1-N 3.38Å; D126-S128 PolarHBondContact OD1-OG 3.08Å | ||
| 127 | S | 29.1 | Very low | 33.9 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -154.1 | 55.2 | 166.8 | -74 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 128 | S | 40.7 | Very low | 33.5 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 133.6 | 176.3 | -64.4 | 0 | 0 | 0 | 0 | 112.4 | D126 | D126-S128 WeakPolarHBondContact OD1-CB 3.27Å; D126-S128 PolarHBondContact OD1-N 3.38Å; D126-S128 PolarHBondContact OD1-OG 3.08Å |
| 129 | P | 42.1 | Very low | 33.7 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 148.7 | -179.9 | 33.9 | -34.8 | 0 | 0 | 0 | 112.8 | ||
| 130 | P | 42 | Very low | 34.3 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 148.1 | 177 | 32.4 | -34.7 | 0 | 0 | 0 | 113.7 | ||
| 131 | D | 29.1 | Very low | 35.5 | Very low | 161 Ų | 161 | 125.5 Ų | 125.5 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 168.3 | -172.7 | -101.5 | -58.1 | 0 | 0 | 0 | 116.6 | ||
| 132 | S | 37.9 | Very low | 35.5 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 143 | 169 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 133 | P | 42.2 | Very low | 35.5 | Very low | 131 Ų | 131 | 128 Ų | 128 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 136.9 | 165.9 | 33.8 | -30.6 | 0 | 0 | 0 | 111.8 | ||
| 134 | S | 29.2 | Very low | 35.3 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 155.9 | 179.7 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 135 | S | 29.8 | Very low | 35.1 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -162.2 | 141.5 | 146.8 | 44.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 136 | S | 34.6 | Very low | 34.8 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -129.6 | 165.9 | 169.3 | -47.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 137 | P | 39.7 | Very low | 34.9 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | -157.3 | 162.1 | 83.4 | 39.5 | -19.5 | 0 | 0 | 0 | 118.5 | |||||
| 138 | C | 25.8 | Very low | 35.1 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | 66.1 | 165.5 | 148.1 | -76.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 139 | S | 31.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -152 | -164.1 | -174.2 | -41.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 140 | P | 43 | Very low | 34.6 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | cis | -128.6 | -127.5 | -12.8 | 27 | -0.6 | 0 | 0 | 0 | 111.7 | ||||
| 141 | P | 52.8 | Low | 34.6 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | -115.9 | -179.2 | -92.4 | 37.6 | -23 | 0 | 0 | 0 | 114.6 | |||||
| 142 | L | 30 | Very low | 34.6 | Very low | 171 Ų | 171 | 135 Ų | 135 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -166.2 | -171.5 | 139.9 | -108.8 | 170.5 | 0 | 0 | 0 | 113.7 | ||||
| 143 | K | 30.7 | Very low | 34.3 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -114.6 | 163.9 | -153.6 | -73.3 | 164.5 | 135.8 | -116.8 | 0 | 115.7 | ||||
| 144 | E | 30.6 | Very low | 33.6 | Very low | 154 Ų | 154 | 138 Ų | 138 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | 44.7 | 131.9 | 144.3 | -63.8 | 163.7 | 89.9 | 0 | 0 | 118.6 | ||||
| 145 | K | 30.7 | Very low | 33.6 | Very low | 206 Ų | 206 | 137.6 Ų | 137.6 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | -172 | 165.2 | 66.7 | -167.6 | 169.5 | -179.1 | 178.2 | 0 | 113.3 | |||||
| 146 | E | 29.6 | Very low | 34 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -69.2 | 146.6 | 176.3 | -179.4 | -166.9 | 139.5 | 0 | 0 | 115.7 | ||||
| 147 | V | 31.8 | Very low | 34.3 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | 178.4 | 147.3 | 134 | 145.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 148 | A | 32.7 | Very low | 34 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -120.9 | 160.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 149 | P | 40.5 | Very low | 35 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | -143.9 | -176.6 | 84.1 | 34.2 | -14.1 | 0 | 0 | 0 | 116.5 | |||||
| 150 | K | 32.1 | Very low | 34.9 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -97.9 | -174.5 | -173.8 | -73.8 | 176.9 | -179.8 | 175.5 | 0 | 112.3 | ||||
| 151 | P | 42.8 | Very low | 34.5 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | cis | -136.7 | 172 | -37.9 | 33.3 | -16.2 | 0 | 0 | 0 | 114.5 | ||||
| 152 | V | 28.6 | Very low | 33.6 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -139.5 | 153.4 | 144.9 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 153 | L | 31.3 | Very low | 34 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -140 | -174.9 | -176 | -75.7 | 175.3 | 0 | 0 | 0 | 111.5 | ||||
| 154 | I | 27.5 | Very low | 34.4 | Very low | 154 Ų | 154 | 145 Ų | 145 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | 89.8 | 118.9 | 170.4 | -53.2 | 162.5 | 0 | 0 | 0 | 112.4 | ||||
| 155 | S | 30.2 | Very low | 34.4 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | cis | 99.6 | 145.5 | 22.6 | -55.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 156 | T | 37 | Very low | 34.6 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -85 | 163.4 | -170.4 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 157 | P | 41.2 | Very low | 34.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -141.9 | 168.3 | 136.9 | 37.3 | -22.9 | 0 | 0 | 0 | 116.2 | ||||
| 158 | T | 34 | Very low | 35.5 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -77.4 | 150.6 | -177.7 | -39.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 159 | P | 45.2 | Very low | 35.4 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -88.5 | 140.9 | 169.2 | 34 | -33.7 | 0 | 0 | 0 | 113.9 | ||||
| 160 | T | 30.6 | Very low | 34.9 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -111 | 148 | 174.2 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 161 | I | 35.3 | Very low | 35.1 | Very low | 162 Ų | 162 | 140 Ų | 140 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | trans | -78.5 | 129.7 | -177.8 | -61.9 | 170 | 0 | 0 | 0 | 111.5 | ||||
| 162 | V | 32.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -135.8 | 140.6 | 166.9 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 163 | R | 38.5 | Very low | 34.5 | Very low | 231 Ų | 231 | 143.2 Ų | 143.2 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -103 | 145.5 | 168.6 | -94.5 | -174.2 | 168.5 | 94.9 | -4.7 | 110.3 | ||||
| 164 | P | 40 | Very low | 34.7 | Very low | 132 Ų | 132 | 142.6 Ų | 142.6 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -121.6 | 174.8 | 145.7 | 31.6 | -17.3 | 0 | 0 | 0 | 111.9 | ||||
| 165 | G | 30.8 | Very low | 35.8 | Very low | 66 Ų | 66 | 139.6 Ų | 139.6 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | -172 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 166 | S | 35 | Very low | 35.9 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 90.9 | 104.9 | -178.6 | -39.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 167 | L | 35.2 | Very low | 35.9 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | 42.8 | 153.5 | 120 | -58.7 | -177.4 | 0 | 0 | 0 | 120.4 | |||||
| 168 | P | 43.3 | Very low | 36.4 | Very low | 106 Ų | 106 | 143 Ų | 143 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | cis | -148.5 | 175.4 | 30.4 | 43.5 | -23.2 | 0 | 0 | 0 | 119.8 | ||||
| 169 | L | 31.3 | Very low | 36.1 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 52 | 120 | 149.4 | -71 | 167.7 | 0 | 0 | 0 | 122.7 | ||||
| 170 | H | 30.5 | Very low | 35.8 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | -155.1 | 178.4 | 115.9 | -155.4 | 58.4 | 0 | 0 | 0 | 112.2 | |||||
| 171 | L | 35.5 | Very low | 36.7 | Very low | 160 Ų | 160 | 144 Ų | 144 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -110.8 | 149.2 | -168.9 | -159.3 | 72.6 | 0 | 0 | 0 | 111.7 | ||||
| 172 | G | 28.8 | Very low | 36.7 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -169.1 | 143.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 173 | Y | 31.3 | Very low | 37.7 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 93% | 0.933 | 79% | 0.794 | S | S | * | * | trans | -104 | 177.5 | -167.4 | -142.9 | -106.7 | 0 | 0 | 0 | 113.3 | ||||
| 174 | D | 34.3 | Very low | 37.5 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -154.6 | 157.7 | -173.6 | -176.2 | 58.4 | 0 | 0 | 0 | 108.4 | ||||
| 175 | P | 51.2 | Low | 37.3 | Very low | 92 Ų | 92 | 135 Ų | 135 | 60% | 0.597 | 79% | 0.789 | S | S | * | * | cis | -125.8 | -165.4 | 2.7 | 41 | -24 | 0 | 0 | 0 | 114.1 | ||||
| 176 | L | 31.2 | Very low | 37.5 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | 165.5 | 156.3 | 124.2 | -85.4 | 176.6 | 0 | 0 | 0 | 113.9 | |||||
| 177 | H | 37.8 | Very low | 37.5 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | -147.8 | 128.4 | 176.3 | 177.4 | -98.9 | 0 | 0 | 0 | 109.2 | ||||
| 178 | P | 52.4 | Low | 37.4 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | -145.4 | -173.6 | 107.1 | 32.4 | -10.1 | 0 | 0 | 0 | 112 | |||||
| 179 | T | 28.1 | Very low | 36.7 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | cis | -165.8 | 161.1 | 35.6 | -34.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 180 | L | 38.8 | Very low | 37 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -98 | 174.1 | 167.9 | -65.7 | 171.1 | 0 | 0 | 0 | 111.6 | ||||
| 181 | P | 49.6 | Very low | 37.5 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | -145.8 | 169.2 | 98.9 | 37.7 | -21.5 | 0 | 0 | 0 | 116.9 | |||||
| 182 | S | 34 | Very low | 38.1 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -85.7 | -155.6 | 178.2 | -27.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 183 | P | 53.5 | Low | 38.5 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | cis | -131.5 | 174.1 | 9 | 44.7 | -25.8 | 0 | 0 | 0 | 114.8 | ||||
| 184 | T | 34.2 | Very low | 38.8 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | -155.4 | 171.3 | 79.5 | 29.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 185 | S | 37.5 | Very low | 38.8 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -133.7 | 171.8 | -156.7 | -47.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 186 | V | 33.8 | Very low | 38.1 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 143.9 | 103.7 | 154.7 | 162.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 187 | I | 35.5 | Very low | 38.5 | Very low | 138 Ų | 138 | 137.9 Ų | 137.9 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | 67.3 | 120.3 | 63.4 | -55.6 | 167 | 0 | 0 | 0 | 110 | |||||
| 188 | T | 32.3 | Very low | 38.4 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | cis | -152.2 | -175.4 | 23.7 | -7.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 189 | Q | 29.9 | Very low | 37.6 | Very low | 177 Ų | 177 | 133.8 Ų | 133.8 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | cis | -142.6 | -176.1 | 7.8 | -56.8 | -178.8 | 5.5 | 0 | 0 | 110.8 | ||||
| 190 | A | 36.7 | Very low | 38.3 | Very low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -145.6 | 141.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 191 | P | 40.4 | Very low | 38.6 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | -153.9 | -173.3 | 113.2 | 41.4 | -24.7 | 0 | 0 | 0 | 113.5 | |||||
| 192 | P | 48.5 | Very low | 37.8 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | cis | -121.2 | -177.3 | -20.8 | 24.2 | -1.7 | 0 | 0 | 0 | 113.3 | ||||
| 193 | S | 38.5 | Very low | 38.4 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -79.8 | 144.1 | 174.4 | 178.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 194 | N | 35.9 | Very low | 37.7 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | 174.7 | 112.2 | 122.2 | -176 | 11.5 | 0 | 0 | 0 | 113.8 | |||||
| 195 | R | 36 | Very low | 38.6 | Very low | 233 Ų | 233 | 133.1 Ų | 133.1 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -179.3 | 123.4 | 147.3 | -102.6 | 164.7 | -176.3 | -95.7 | 0.6 | 106.5 | ||||
| 196 | Q | 35.3 | Very low | 39.5 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | cis | 74 | 123.1 | 47.4 | -158.6 | 166.2 | 26.6 | 0 | 0 | 113.5 | ||||
| 197 | M | 40.6 | Very low | 41 | Very low | 193 Ų | 193 | 133 Ų | 133 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | trans | -67.4 | 139.9 | -166.6 | -62.5 | -92.7 | -81.9 | 0 | 0 | 113.3 | ||||
| 198 | G | 35.6 | Very low | 42.4 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -177.5 | 125.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 199 | S | 34.5 | Very low | 43.5 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -79.4 | 134.4 | 179.8 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | T201 | S199-T201 PolarHBondContact O-N 2.99Š| ||
| 200 | P | 43.6 | Very low | 45.4 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | trans | -83.5 | 110.8 | 177.2 | 32 | -32.7 | 0 | 0 | 0 | 111.8 | ||||
| 201 | T | 43.8 | Very low | 46.4 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | trans | -119.4 | 100.2 | 149 | 44.8 | 0 | 0 | 0 | 0 | 107.2 | S199 | S199-T201 PolarHBondContact O-N 2.99Š| ||
| 202 | G | 34.4 | Very low | 47.6 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | -145.8 | 131.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 203 | S | 45.2 | Very low | 48.4 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 131.3 | 179.7 | 46.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 204 | L | 40.4 | Very low | 49.7 | Very low | 166 Ų | 166 | 127 Ų | 127 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 133.7 | 170.6 | -65.1 | 171.3 | 0 | 0 | 0 | 110.1 | ||
| 205 | P | 52.4 | Low | 50.9 | Low | 110 Ų | 110 | 124.3 Ų | 124.3 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 134.4 | 172.6 | 30.6 | -33 | 0 | 0 | 0 | 110.6 | ||
| 206 | L | 56.1 | Low | 51.8 | Low | 149 Ų | 149 | 118.7 Ų | 118.7 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -88 | 129.4 | 173.1 | -144.3 | 77.1 | 0 | 0 | 0 | 109.6 | ||
| 207 | V | 65.5 | Low | 52.8 | Low | 82 Ų | 82 | 115.1 Ų | 115.1 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.3 | 178.3 | -70.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 208 | M | 64.3 | Low | 53.4 | Low | 119 Ų | 119 | 110.3 Ų | 110.3 | 59% | 0.586 | 69% | 0.693 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.7 | 177.2 | -151.3 | 171.5 | 85.9 | 0 | 0 | 109.9 | L210 T215 M216 V218 | M208-L210 HydrophobicContact CE-CD1 4.27Å; M208-T215 WeakPolarHBondContact O-CA 3.41Å; M208-M216 PolarHBondContact N-O 2.92Å; M208-M216 VanDerWaalsContact N-O 3.14Å; M208-M216 PolarHBondContact O-N 3.25Å; M208-V218 HydrophobicContact CB-CG2 4.39Å |
| 209 | H | 56.1 | Low | 54.3 | Low | 133 Ų | 133 | 114.5 Ų | 114.5 | 62% | 0.616 | 70% | 0.697 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.1 | 176.3 | -67.3 | 65.8 | 0 | 0 | 0 | 109 | T215 | H209-T215 HydrophobicContact CB-CG2 4.49Å; H209-T215 WeakPolarHBondContact CD2-CG2 3.43Å; H209-T215 WeakPolarHBondContact NE2-CG2 3.48Å |
| 210 | L | 70.3 | Confident | 55 | Low | 85 Ų | 85 | 114.8 Ų | 114.8 | 45% | 0.445 | 70% | 0.696 | S | S | . | * | trans | -96.3 | 156.9 | 171.1 | -84.8 | 65.9 | 0 | 0 | 0 | 110.3 | M208 N212 G213 Q214 | M208-L210 HydrophobicContact CE-CD1 4.27Å; L210-N212 VanDerWaalsContact CB-OD1 3.29Å; L210-N212 WeakPolarHBondContact CB-OD1 3.41Å; L210-N212 PolarHBondContact O-N 3.14Å; L210-G213 PolarHBondContact O-N 2.87Å; L210-Q214 PolarHBondContact N-O 2.86Å | ||
| 211 | A | 56.3 | Low | 55.4 | Low | 121 Ų | 121 | 111.7 Ų | 111.7 | 100% | 1 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -5.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 212 | N | 65.4 | Low | 55.9 | Low | 109 Ų | 109 | 110.3 Ų | 110.3 | 58% | 0.583 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 6.1 | 172.5 | 67.2 | -10 | 0 | 0 | 0 | 113.6 | L210 Q214 | L210-N212 VanDerWaalsContact CB-OD1 3.29Å; L210-N212 WeakPolarHBondContact CB-OD1 3.41Å; L210-N212 PolarHBondContact O-N 3.14Å; N212-Q214 PolarHBondContact OD1-N 3.31Å |
| 213 | G | 66.4 | Low | 56.3 | Low | 68 Ų | 68 | 112.9 Ų | 112.9 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 84.2 | 4.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | L210 | L210-G213 PolarHBondContact O-N 2.87Š|
| 214 | Q | 65.1 | Low | 56.1 | Low | 129 Ų | 129 | 113.6 Ų | 113.6 | 60% | 0.603 | 68% | 0.684 | S | S | * | * | trans | -90.7 | 144.1 | 173.3 | -71.9 | -174.4 | -16.8 | 0 | 0 | 112.3 | L210 N212 | L210-Q214 PolarHBondContact N-O 2.86Å; N212-Q214 PolarHBondContact OD1-N 3.31Å | ||
| 215 | T | 62 | Low | 56 | Low | 75 Ų | 75 | 114.3 Ų | 114.3 | 46% | 0.46 | 68% | 0.682 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 134.6 | 175.3 | 38.9 | 0 | 0 | 0 | 0 | 111.1 | M208 H209 | M208-T215 WeakPolarHBondContact O-CA 3.41Å; H209-T215 HydrophobicContact CB-CG2 4.49Å; H209-T215 WeakPolarHBondContact CD2-CG2 3.43Å; H209-T215 WeakPolarHBondContact NE2-CG2 3.48Å |
| 216 | M | 54.7 | Low | 55.1 | Low | 116 Ų | 116 | 117.5 Ų | 117.5 | 57% | 0.571 | 69% | 0.69 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.8 | 175.4 | -71.1 | -65.5 | -72.5 | 0 | 0 | 110.9 | M208 | M208-M216 PolarHBondContact N-O 2.92Å; M208-M216 VanDerWaalsContact N-O 3.14Å; M208-M216 PolarHBondContact O-N 3.25Å |
| 217 | P | 55.9 | Low | 54.1 | Low | 99 Ų | 99 | 116.2 Ų | 116.2 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.9 | 134.7 | 173.4 | 31.9 | -33 | 0 | 0 | 0 | 110.5 | ||
| 218 | V | 53.8 | Low | 52.7 | Low | 93 Ų | 93 | 117.6 Ų | 117.6 | 56% | 0.564 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 119.3 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | M208 | M208-V218 HydrophobicContact CB-CG2 4.39Š|
| 219 | L | 54.9 | Low | 51.5 | Low | 162 Ų | 162 | 118.1 Ų | 118.1 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 128.1 | 173.5 | -75.1 | 168.9 | 0 | 0 | 0 | 110.4 | G221 | L219-G221 PolarHBondContact O-N 3.34Š|
| 220 | P | 47.5 | Very low | 50.8 | Low | 125 Ų | 125 | 119.5 Ų | 119.5 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 126 | 169.5 | -21.3 | 33.7 | 0 | 0 | 0 | 111.2 | ||
| 221 | G | 53.2 | Low | 48.8 | Very low | 62 Ų | 62 | 121.2 Ų | 121.2 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 164.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L219 | L219-G221 PolarHBondContact O-N 3.34Š|
| 222 | P | 53.7 | Low | 47.9 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -64 | 146.9 | 177 | 28.1 | -34.8 | 0 | 0 | 0 | 111.5 | V224 | P222-V224 PolarHBondContact O-N 2.88Š|
| 223 | P | 44 | Very low | 46.5 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | trans | -71.9 | 113.7 | -173.3 | 28.3 | -34.8 | 0 | 0 | 0 | 112.2 | Q225 | P223-Q225 PolarHBondContact O-N 3.33Š| ||
| 224 | V | 39.9 | Very low | 45 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 84% | 0.836 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 119.5 | 166.5 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | P222 M226 | P222-V224 PolarHBondContact O-N 2.88Å; V224-M226 PolarHBondContact O-N 3.3Å |
| 225 | Q | 37.5 | Very low | 43.7 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 122.3 | 172.5 | -72.5 | -172.6 | -6.6 | 0 | 0 | 110.3 | P223 | P223-Q225 PolarHBondContact O-N 3.33Š|
| 226 | M | 34.6 | Very low | 42.5 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 125.2 | 164.6 | -81.4 | -74 | -173.6 | 0 | 0 | 109.6 | V224 S228 | V224-M226 PolarHBondContact O-N 3.3Å; M226-S228 PolarHBondContact O-N 3.21Å |
| 227 | P | 35.5 | Very low | 41.4 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -74.2 | 109 | 173.9 | 29.5 | -32.4 | 0 | 0 | 0 | 110 | ||||
| 228 | S | 34.7 | Very low | 40.8 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -72.7 | 140.1 | 171.1 | -166 | 0 | 0 | 0 | 0 | 110.5 | M226 | M226-S228 PolarHBondContact O-N 3.21Š| ||
| 229 | V | 40.6 | Very low | 40.1 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -72.8 | 149.3 | -179.7 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 230 | I | 40.2 | Very low | 39.3 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 110 | 87.3 | -175.4 | -60.8 | 158.1 | 0 | 0 | 0 | 111.3 | ||||
| 231 | S | 28.9 | Very low | 38.8 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -136.4 | 102.7 | 162 | -79.9 | 0 | 0 | 0 | 0 | 108 | A233 | S231-A233 PolarHBondContact O-N 3.26Š| ||
| 232 | L | 37.9 | Very low | 38.2 | Very low | 173 Ų | 173 | 139.3 Ų | 139.3 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 113 | 179.3 | -170 | 70.2 | 0 | 0 | 0 | 108.9 | R234 | L232-R234 PolarHBondContact O-N 2.73Š| ||
| 233 | A | 34.9 | Very low | 37.3 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 130 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S231 | S231-A233 PolarHBondContact O-N 3.26Š|
| 234 | R | 36.1 | Very low | 37 | Very low | 228 Ų | 228 | 137 Ų | 137 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 122.8 | 160.4 | -73.3 | -176.8 | 172.8 | -173.3 | -2.5 | 108.2 | L232 V236 | L232-R234 PolarHBondContact O-N 2.73Å; R234-V236 PolarHBondContact O-N 3.37Å |
| 235 | P | 36.1 | Very low | 37 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 117.1 | 175.7 | 28.6 | -32.6 | 0 | 0 | 0 | 109.7 | ||
| 236 | V | 36.9 | Very low | 37.3 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 116.6 | 166.9 | -174 | 0 | 0 | 0 | 0 | 107.4 | R234 M238 | R234-V236 PolarHBondContact O-N 3.37Å; V236-M238 HydrophobicContact CG1-CE 3.69Å; V236-M238 PolarHBondContact O-N 2.82Å |
| 237 | S | 33.1 | Very low | 37.2 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | -71.1 | 112.5 | 175 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 238 | M | 42.7 | Very low | 37.6 | Very low | 153 Ų | 153 | 131.6 Ų | 131.6 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 116.7 | 167.4 | -73 | -71.5 | 106.5 | 0 | 0 | 108.3 | V236 | V236-M238 HydrophobicContact CG1-CE 3.69Å; V236-M238 PolarHBondContact O-N 2.82Å |
| 239 | V | 39.6 | Very low | 38.2 | Very low | 122 Ų | 122 | 132 Ų | 132 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 123.9 | 173.8 | 179 | 0 | 0 | 0 | 0 | 108.5 | N241 | V239-N241 PolarHBondContact O-N 3.43Š|
| 240 | P | 37.3 | Very low | 38.2 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 122.2 | 172.6 | -20.2 | 33 | 0 | 0 | 0 | 110.4 | ||
| 241 | N | 36.8 | Very low | 37.7 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 131.6 | -179.7 | -167.1 | 32.6 | 0 | 0 | 0 | 111.3 | V239 | V239-N241 PolarHBondContact O-N 3.43Š|
| 242 | I | 40.4 | Very low | 38.1 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 130.1 | 179.2 | -57.9 | 177.8 | 0 | 0 | 0 | 108.7 | G244 | I242-G244 PolarHBondContact O-N 3.45Š|
| 243 | P | 36 | Very low | 38 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 121.1 | -178.5 | -21 | 33.4 | 0 | 0 | 0 | 113.5 | ||
| 244 | G | 36.7 | Very low | 38 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 169.7 | 133.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | I242 | I242-G244 PolarHBondContact O-N 3.45Š| ||
| 245 | I | 40.3 | Very low | 37.8 | Very low | 176 Ų | 176 | 123.6 Ų | 123.6 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | trans | 74.8 | 139.1 | 166.7 | -52.7 | 176.7 | 0 | 0 | 0 | 114.9 | ||||
| 246 | P | 43 | Very low | 37.9 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | trans | -116.1 | 166 | -155.1 | 24.2 | -2.7 | 0 | 0 | 0 | 116.3 | ||||
| 247 | G | 33.9 | Very low | 37.7 | Very low | 74 Ų | 74 | 125.3 Ų | 125.3 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -143 | 131.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 248 | P | 44.2 | Very low | 38.5 | Very low | 124 Ų | 124 | 127 Ų | 127 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -112.7 | 173.7 | -179.3 | 41 | -33.9 | 0 | 0 | 0 | 113.7 | ||||
| 249 | P | 46.5 | Very low | 38 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | cis | -116.3 | 161.9 | -23.6 | 37.3 | -25.9 | 0 | 0 | 0 | 112 | ||||
| 250 | V | 39.7 | Very low | 38 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -98.8 | 136.4 | 167.4 | -70 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 251 | N | 31.6 | Very low | 38.2 | Very low | 162 Ų | 162 | 124.1 Ų | 124.1 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -114 | 91.9 | 164.3 | 47.5 | -3.2 | 0 | 0 | 0 | 110.1 | ||||
| 252 | S | 36.3 | Very low | 38.4 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -70 | 143.3 | -176.9 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 253 | S | 35.4 | Very low | 38.7 | Very low | 130 Ų | 130 | 123 Ų | 123 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -157.2 | 98.8 | 142.7 | -82.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 254 | G | 34.8 | Very low | 39.5 | Very low | 80 Ų | 80 | 119.9 Ų | 119.9 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -104.5 | 150.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 255 | S | 32.2 | Very low | 41 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -137.3 | 129.7 | 160 | 58 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 256 | I | 38.1 | Very low | 42.2 | Very low | 170 Ų | 170 | 117.7 Ų | 117.7 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -107.8 | 120.6 | -177.6 | -39.9 | 172.3 | 0 | 0 | 0 | 107.1 | ||||
| 257 | S | 32.7 | Very low | 43 | Very low | 113 Ų | 113 | 114.5 Ų | 114.5 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -159.6 | 135.5 | 167.8 | -81.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 258 | P | 50.5 | Low | 44.6 | Very low | 137 Ų | 137 | 118.3 Ų | 118.3 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | trans | -87.7 | 117.8 | -177 | 32.8 | -32.3 | 0 | 0 | 0 | 112 | ||||
| 259 | S | 32.8 | Very low | 45.9 | Very low | 95 Ų | 95 | 118.2 Ų | 118.2 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | -142.7 | 113.5 | 160.9 | -174 | 0 | 0 | 0 | 0 | 110.5 | H261 | S259-H261 PolarHBondContact O-N 2.93Š| ||
| 260 | G | 39.1 | Very low | 46.9 | Very low | 79 Ų | 79 | 119.9 Ų | 119.9 | 81% | 0.814 | 73% | 0.726 | S | S | * | * | trans | -87.3 | 86.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 261 | H | 40.2 | Very low | 48 | Very low | 157 Ų | 157 | 119.6 Ų | 119.6 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -105.3 | 123.7 | 163.9 | -72 | -56 | 0 | 0 | 0 | 110.6 | S259 I263 | S259-H261 PolarHBondContact O-N 2.93Å; H261-I263 PolarHBondContact O-N 3.2Å; H261-I263 VanDerWaalsContact O-N 3.1Å | ||
| 262 | P | 42.5 | Very low | 49.9 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | trans | -72.3 | 108 | -178.2 | 28.2 | -33.5 | 0 | 0 | 0 | 110.6 | P264 | P262-P264 WeakPolarHBondContact O-CD 3.29Š| ||
| 263 | I | 46.8 | Very low | 50.9 | Low | 160 Ų | 160 | 117.1 Ų | 117.1 | 82% | 0.821 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 120.5 | 176.1 | -59.1 | 172 | 0 | 0 | 0 | 108.8 | H261 S265 | H261-I263 PolarHBondContact O-N 3.2Å; H261-I263 VanDerWaalsContact O-N 3.1Å; I263-S265 PolarHBondContact O-N 3.3Å |
| 264 | P | 52.2 | Low | 51.9 | Low | 64 Ų | 64 | 115.5 Ų | 115.5 | 42% | 0.416 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -71.7 | 123.8 | 178 | 28.8 | -32.8 | 0 | 0 | 0 | 109.8 | P262 E266 K268 M269 | P262-P264 WeakPolarHBondContact O-CD 3.29Å; P264-E266 PolarHBondContact O-N 3.36Å; P264-K268 HydrophobicContact CB-CD 4.19Å; P264-M269 HydrophobicContact CG-CG 4.42Å |
| 265 | S | 68.9 | Low | 52.8 | Low | 82 Ų | 82 | 117 Ų | 117 | 57% | 0.573 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 140.6 | 171.8 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | I263 A267 K268 M269 | I263-S265 PolarHBondContact O-N 3.3Å; S265-A267 PolarHBondContact O-N 2.97Å; S265-A267 VanDerWaalsContact O-N 3.08Å; S265-K268 WeakPolarHBondContact O-CA 3.41Å; S265-K268 VanDerWaalsContact O-CB 3.25Å; S265-K268 WeakPolarHBondContact O-CB 3.5Å; S265-K268 PolarHBondContact O-N 3.38Å; S265-M269 PolarHBondContact O-N 3.28Å |
| 266 | E | 65.4 | Low | 53.7 | Low | 113 Ų | 113 | 115.2 Ų | 115.2 | 53% | 0.528 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -47.9 | -38.4 | -179.6 | -170 | -173.7 | 166.1 | 0 | 0 | 113 | P264 K268 M269 R270 | P264-E266 PolarHBondContact O-N 3.36Å; E266-K268 VanDerWaalsContact C-N 3.28Å; E266-K268 PolarHBondContact O-N 3.18Å; E266-M269 PolarHBondContact O-N 2.97Å; E266-M269 VanDerWaalsContact O-N 3.13Å; E266-R270 VanDerWaalsContact CD-NH1 3.32Å; E266-R270 PolarHBondContact O-N 3.26Å; E266-R270 IonicContact OE1-CZ 3.97Å; E266-R270 IonicContact OE1-NH1 3.78Å; E266-R270 PolarHBondContact OE1-NH1 3.22Å; E266-R270 IonicContact OE1-NH2 3.49Å; E266-R270 PolarHBondContact OE1-NH2 2.91Å |
| 267 | A | 59.8 | Low | 54.2 | Low | 64 Ų | 64 | 114.6 Ų | 114.6 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -57.7 | -37.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S265 R270 L271 | S265-A267 PolarHBondContact O-N 2.97Å; S265-A267 VanDerWaalsContact O-N 3.08Å; A267-R270 PolarHBondContact O-N 3.15Å; A267-L271 WeakPolarHBondContact O-CB 3.39Å; A267-L271 PolarHBondContact O-N 2.74Å |
| 268 | K | 66.3 | Low | 54.8 | Low | 154 Ų | 154 | 116.1 Ų | 116.1 | 67% | 0.67 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.6 | -31.4 | 178.4 | -167.5 | 175.4 | -179.7 | 179.7 | 0 | 111.9 | P264 S265 E266 K272 | P264-K268 HydrophobicContact CB-CD 4.19Å; S265-K268 WeakPolarHBondContact O-CA 3.41Å; S265-K268 VanDerWaalsContact O-CB 3.25Å; S265-K268 WeakPolarHBondContact O-CB 3.5Å; S265-K268 PolarHBondContact O-N 3.38Å; E266-K268 VanDerWaalsContact C-N 3.28Å; E266-K268 PolarHBondContact O-N 3.18Å; K268-K272 PolarHBondContact O-N 3.39Å |
| 269 | M | 72 | Confident | 54.4 | Low | 121 Ų | 121 | 115.1 Ų | 115.1 | 60% | 0.596 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.5 | -45.6 | 172 | -64.7 | -144.8 | -62.7 | 0 | 0 | 111.7 | P264 S265 E266 L271 K272 A273 | P264-M269 HydrophobicContact CG-CG 4.42Å; S265-M269 PolarHBondContact O-N 3.28Å; E266-M269 PolarHBondContact O-N 2.97Å; E266-M269 VanDerWaalsContact O-N 3.13Å; M269-L271 VanDerWaalsContact C-N 3.32Å; M269-L271 PolarHBondContact O-N 3.43Å; M269-K272 PolarHBondContact O-N 3.04Å; M269-A273 PolarHBondContact O-N 3.41Å |
| 270 | R | 68.1 | Low | 54.8 | Low | 157 Ų | 157 | 116 Ų | 116 | 59% | 0.592 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -56.1 | -45.6 | 174 | -75.8 | -169 | 171.1 | 110.8 | 14.7 | 111.7 | E266 A267 K272 A273 T274 | E266-R270 VanDerWaalsContact CD-NH1 3.32Å; E266-R270 PolarHBondContact O-N 3.26Å; E266-R270 IonicContact OE1-CZ 3.97Å; E266-R270 IonicContact OE1-NH1 3.78Å; E266-R270 PolarHBondContact OE1-NH1 3.22Å; E266-R270 IonicContact OE1-NH2 3.49Å; E266-R270 PolarHBondContact OE1-NH2 2.91Å; A267-R270 PolarHBondContact O-N 3.15Å; R270-K272 VanDerWaalsContact C-N 3.32Å; R270-K272 PolarHBondContact O-N 2.91Å; R270-A273 PolarHBondContact O-N 3.35Å; R270-T274 PolarHBondContact O-N 3.25Å; R270-T274 PolarHBondContact O-OG1 3.1Å; R270-T274 VanDerWaalsContact O-OG1 3.13Å |
| 271 | L | 62.8 | Low | 55 | Low | 127 Ų | 127 | 117 Ų | 117 | 67% | 0.665 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.6 | -34 | -179.7 | -152.3 | 132.3 | 0 | 0 | 0 | 112.8 | A267 M269 L275 | A267-L271 WeakPolarHBondContact O-CB 3.39Å; A267-L271 PolarHBondContact O-N 2.74Å; M269-L271 VanDerWaalsContact C-N 3.32Å; M269-L271 PolarHBondContact O-N 3.43Å; L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 PolarHBondContact O-N 3.05Å |
| 272 | K | 70.6 | Confident | 55 | Low | 156 Ų | 156 | 117.1 Ų | 117.1 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.5 | -41.4 | 172.6 | -169.3 | -174.8 | 178.4 | -169.8 | 0 | 112.1 | K268 M269 R270 L275 T276 | K268-K272 PolarHBondContact O-N 3.39Å; M269-K272 PolarHBondContact O-N 3.04Å; R270-K272 VanDerWaalsContact C-N 3.32Å; R270-K272 PolarHBondContact O-N 2.91Å; K272-L275 PolarHBondContact O-N 2.93Å; K272-T276 PolarHBondContact O-N 3.09Å; K272-T276 VanDerWaalsContact O-N 3.11Å; K272-T276 PolarHBondContact O-OG1 2.89Å |
| 273 | A | 58.5 | Low | 54.8 | Low | 54 Ų | 54 | 119.7 Ų | 119.7 | 45% | 0.446 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -61.7 | -49.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M269 R270 L275 T276 H277 | M269-A273 PolarHBondContact O-N 3.41Å; R270-A273 PolarHBondContact O-N 3.35Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 3.17Å; A273-T276 PolarHBondContact O-N 3.41Å; A273-T276 VanDerWaalsContact O-N 3.16Å; A273-H277 PolarHBondContact O-N 2.92Å |
| 274 | T | 55.4 | Low | 54.1 | Low | 95 Ų | 95 | 115.4 Ų | 115.4 | 58% | 0.583 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.8 | -42.1 | 178.4 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | R270 T276 H277 | R270-T274 PolarHBondContact O-N 3.25Å; R270-T274 PolarHBondContact O-OG1 3.1Å; R270-T274 VanDerWaalsContact O-OG1 3.13Å; T274-T276 VanDerWaalsContact C-N 3.32Å; T274-T276 PolarHBondContact O-N 3.01Å; T274-H277 PolarHBondContact O-N 2.85Å |
| 275 | L | 53.2 | Low | 53.3 | Low | 112 Ų | 112 | 116.6 Ų | 116.6 | 59% | 0.586 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.9 | -32.5 | 178.7 | -174.2 | 62 | 0 | 0 | 0 | 112.7 | L271 K272 A273 | L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 PolarHBondContact O-N 3.05Å; K272-L275 PolarHBondContact O-N 2.93Å; A273-L275 VanDerWaalsContact C-N 3.34Å; A273-L275 PolarHBondContact O-N 3.17Å |
| 276 | T | 52.6 | Low | 51.7 | Low | 87 Ų | 87 | 118.3 Ų | 118.3 | 53% | 0.534 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -69.8 | -37.6 | 179.3 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | K272 A273 T274 Q278 | K272-T276 PolarHBondContact O-N 3.09Å; K272-T276 VanDerWaalsContact O-N 3.11Å; K272-T276 PolarHBondContact O-OG1 2.89Å; A273-T276 PolarHBondContact O-N 3.41Å; A273-T276 VanDerWaalsContact O-N 3.16Å; T274-T276 VanDerWaalsContact C-N 3.32Å; T274-T276 PolarHBondContact O-N 3.01Å; T276-Q278 PolarHBondContact O-N 3Å |
| 277 | H | 48.2 | Very low | 50.2 | Low | 157 Ų | 157 | 116.8 Ų | 116.8 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.2 | -23.9 | 178 | -90.3 | -90.9 | 0 | 0 | 0 | 114.7 | A273 T274 V279 | A273-H277 PolarHBondContact O-N 2.92Å; T274-H277 PolarHBondContact O-N 2.85Å; H277-V279 VanDerWaalsContact C-N 3.25Å; H277-V279 PolarHBondContact O-N 3.07Å |
| 278 | Q | 44.4 | Very low | 49.3 | Very low | 145 Ų | 145 | 121.9 Ų | 121.9 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -69.5 | -19.1 | 179.1 | -87.9 | -169.5 | -1.3 | 0 | 0 | 114.1 | T276 | T276-Q278 PolarHBondContact O-N 3Š|
| 279 | V | 42.8 | Very low | 48 | Very low | 117 Ų | 117 | 119 Ų | 119 | 71% | 0.709 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -78.3 | -22 | -175.3 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | H277 | H277-V279 VanDerWaalsContact C-N 3.25Å; H277-V279 PolarHBondContact O-N 3.07Å |
| 280 | S | 40.9 | Very low | 46.4 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -94.1 | 3.2 | -170.4 | -55.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 281 | S | 42.5 | Very low | 44.9 | Very low | 102 Ų | 102 | 115.8 Ų | 115.8 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | trans | -135.5 | 46.2 | -168.1 | -170.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 282 | I | 41.4 | Very low | 43.5 | Very low | 159 Ų | 159 | 116.4 Ų | 116.4 | 82% | 0.815 | 73% | 0.729 | S | S | * | * | trans | -128.2 | 60.8 | 167.6 | 52 | 164.1 | 0 | 0 | 0 | 112.3 | ||||
| 283 | N | 38.3 | Very low | 41.8 | Very low | 175 Ų | 175 | 113.7 Ų | 113.7 | 94% | 0.936 | 74% | 0.736 | S | S | * | * | trans | -122.2 | 95.9 | 167.8 | -157.3 | 14.4 | 0 | 0 | 0 | 109.8 | ||||
| 284 | G | 30.8 | Very low | 40.5 | Very low | 71 Ų | 71 | 117 Ų | 117 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | 165.8 | 103.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 285 | G | 37.2 | Very low | 39.6 | Very low | 88 Ų | 88 | 118.8 Ų | 118.8 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -91.9 | 132.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 286 | C | 33.9 | Very low | 38.6 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -135.8 | 115.6 | 162 | 56.8 | 0 | 0 | 0 | 0 | 110.2 | M288 | C286-M288 PolarHBondContact O-N 2.57Š| ||
| 287 | G | 35.4 | Very low | 37.7 | Very low | 80 Ų | 80 | 124.7 Ų | 124.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -83.2 | 108.1 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 288 | M | 39.2 | Very low | 36.9 | Very low | 172 Ų | 172 | 124 Ų | 124 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -72.2 | 154.1 | 177.2 | -74 | -148.1 | 74.4 | 0 | 0 | 113.9 | C286 | C286-M288 PolarHBondContact O-N 2.57Š| ||
| 289 | V | 40.7 | Very low | 36.1 | Very low | 93 Ų | 93 | 121.5 Ų | 121.5 | 56% | 0.564 | 81% | 0.807 | S | S | * | * | trans | -106 | 143.8 | 178.9 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 290 | V | 38.2 | Very low | 35.5 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 118.9 | -177 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 291 | G | 34.8 | Very low | 35.2 | Very low | 72 Ų | 72 | 125.9 Ų | 125.9 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 130.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 292 | T | 35.1 | Very low | 34.6 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 162 | 178.5 | 34.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 293 | A | 33.8 | Very low | 34.1 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 154.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 294 | S | 31.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -135 | 146.1 | 151.7 | -81.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 295 | T | 35.9 | Very low | 33.6 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -82.5 | 140.5 | 178.6 | 44.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 296 | M | 33.2 | Very low | 33.2 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | trans | -115.9 | 122.8 | 164.4 | -69.9 | -68.7 | -161.7 | 0 | 0 | 109 | ||||
| 297 | V | 33.4 | Very low | 33 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -89.9 | 133.8 | 173.5 | 172.4 | 0 | 0 | 0 | 0 | 108.9 | A299 | V297-A299 PolarHBondContact O-N 2.64Š| ||
| 298 | T | 30.5 | Very low | 32.9 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -79.8 | 106 | 173.6 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 299 | A | 29.3 | Very low | 32.5 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96 | 136.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V297 | V297-A299 PolarHBondContact O-N 2.64Š|
| 300 | R | 28.8 | Very low | 32 | Very low | 204 Ų | 204 | 143.8 Ų | 143.8 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 137.2 | 170.6 | 158.1 | 180 | 164.3 | 168.9 | -3.7 | 109.2 | E302 | R300-E302 IonicContact CZ-OE2 2.77Å; R300-E302 IonicContact NE-OE2 2.72Å; R300-E302 PolarHBondContact NE-OE2 3.3Å; R300-E302 IonicContact NH2-OE2 3.18Å; R300-E302 PolarHBondContact NH2-OE2 3.4Å |
| 301 | P | 36.3 | Very low | 32.2 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 140.4 | 168.1 | 33.2 | -32.8 | 0 | 0 | 0 | 110.9 | ||
| 302 | E | 29.6 | Very low | 32 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 71% | 0.71 | 81% | 0.806 | S | S | * | * | trans | -151.9 | 144.2 | 157.9 | -160.3 | 158.9 | 160.5 | 0 | 0 | 108.7 | R300 | R300-E302 IonicContact CZ-OE2 2.77Å; R300-E302 IonicContact NE-OE2 2.72Å; R300-E302 PolarHBondContact NE-OE2 3.3Å; R300-E302 IonicContact NH2-OE2 3.18Å; R300-E302 PolarHBondContact NH2-OE2 3.4Å | ||
| 303 | Q | 30.4 | Very low | 32 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -119.9 | 121.2 | -175.1 | -69.5 | 179.6 | -20.5 | 0 | 0 | 110.3 | ||||
| 304 | S | 30 | Very low | 32.1 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -172.9 | 129 | 133.1 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 305 | Q | 29.2 | Very low | 32.4 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -23.6 | 146.6 | 162.5 | -59.5 | 158.2 | -5.5 | 0 | 0 | 117.8 | ||||
| 306 | I | 28.5 | Very low | 32.6 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | -161.4 | 155.7 | 118.3 | -102.7 | 159.4 | 0 | 0 | 0 | 110.7 | |||||
| 307 | L | 30.3 | Very low | 32.7 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -95.2 | 148.8 | -175.1 | 174.5 | 71.3 | 0 | 0 | 0 | 111.3 | ||||
| 308 | I | 33.2 | Very low | 32.9 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 170.3 | 143.3 | 136.9 | -88.9 | 155.5 | 0 | 0 | 0 | 113 | ||||
| 309 | Q | 30.8 | Very low | 33.4 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | 13.1 | 134.6 | 167.3 | -87.7 | 60.1 | 72.1 | 0 | 0 | 124.7 | ||||
| 310 | H | 28.9 | Very low | 33.7 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 73% | 0.731 | 77% | 0.77 | S | S | * | * | trans | -66.3 | 165.6 | 147.5 | -115 | -91.2 | 0 | 0 | 0 | 110.8 | ||||
| 311 | P | 43.9 | Very low | 34.3 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -114 | -176.9 | 43.9 | 43.9 | -36.8 | 0 | 0 | 0 | 113.1 | ||||
| 312 | D | 30.2 | Very low | 34.3 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -147.7 | -155.3 | 9.7 | -146.3 | -52.2 | 0 | 0 | 0 | 111 | ||||
| 313 | A | 34 | Very low | 35.2 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -125.3 | 165.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 314 | P | 36.7 | Very low | 35.6 | Very low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | -135.2 | 170.4 | 73.3 | 35 | -18.4 | 0 | 0 | 0 | 115.7 | |||||
| 315 | S | 38.2 | Very low | 36.2 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -67.9 | 157.1 | -179.1 | -169.5 | 0 | 0 | 0 | 0 | 113.7 | A317 | S315-A317 PolarHBondContact OG-N 3.27Š| ||
| 316 | P | 39.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | -137.3 | 130.3 | 105.3 | 36.4 | -25.7 | 0 | 0 | 0 | 116.2 | |||||
| 317 | A | 34.5 | Very low | 37.6 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 27.4 | 113.7 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | S315 | S315-A317 PolarHBondContact OG-N 3.27Š| ||
| 318 | Q | 38.7 | Very low | 38.6 | Very low | 159 Ų | 159 | 128 Ų | 128 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -94 | 136.7 | 151 | -75.9 | -163.8 | -11.3 | 0 | 0 | 111.4 | ||
| 319 | P | 40 | Very low | 39.4 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 118.7 | 158.7 | -11.1 | 28.2 | 0 | 0 | 0 | 110.2 | ||
| 320 | Q | 36.2 | Very low | 40.1 | Very low | 139 Ų | 139 | 124 Ų | 124 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 125.4 | 178.5 | -86.2 | -76.4 | -30 | 0 | 0 | 112.1 | ||
| 321 | V | 40.5 | Very low | 40.8 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | trans | 26.3 | 135.5 | 158 | -60.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 322 | S | 37.4 | Very low | 40.7 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | -157.8 | 128.3 | 126.6 | -82.6 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 323 | P | 48.8 | Very low | 41.4 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -87.4 | 109.4 | -179.7 | 32.3 | -31.6 | 0 | 0 | 0 | 111.9 | ||||
| 324 | A | 37.6 | Very low | 42.2 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 142.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 325 | Q | 43.1 | Very low | 42.9 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 152.4 | 177.1 | -69.4 | -178.6 | -11.7 | 0 | 0 | 112.3 | T327 | Q325-T327 PolarHBondContact O-N 2.98Š|
| 326 | P | 43.1 | Very low | 43.6 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 116.7 | 179.6 | 29.2 | -34.5 | 0 | 0 | 0 | 112.1 | ||
| 327 | T | 45.1 | Very low | 44.2 | Very low | 120 Ų | 120 | 135 Ų | 135 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 131.2 | 174 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | Q325 S329 | Q325-T327 PolarHBondContact O-N 2.98Å; T327-S329 PolarHBondContact O-N 3.48Å |
| 328 | P | 51.5 | Low | 45.5 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | trans | -84.5 | 43.2 | -174.4 | 34.9 | -37.2 | 0 | 0 | 0 | 113.9 | ||||
| 329 | S | 48.6 | Very low | 46.5 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | -160.6 | 123.7 | 168.8 | -170.9 | 0 | 0 | 0 | 0 | 108.5 | T327 | T327-S329 PolarHBondContact O-N 3.48Š| ||
| 330 | T | 45.3 | Very low | 47.6 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | cis | -126.1 | 145 | 37.5 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | G332 | T330-G332 PolarHBondContact O-N 3.45Š| ||
| 331 | G | 44.2 | Very low | 50 | Low | 69 Ų | 69 | 131.4 Ų | 131.4 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | trans | -60.8 | 103 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R333 | G331-R333 PolarHBondContact O-N 3.3Š| ||
| 332 | G | 42.3 | Very low | 52.3 | Low | 80 Ų | 80 | 130.7 Ų | 130.7 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -66.6 | 43.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T330 R334 | T330-G332 PolarHBondContact O-N 3.45Å; G332-R334 PolarHBondContact O-N 3.39Å | ||
| 333 | R | 43.8 | Very low | 54.9 | Low | 229 Ų | 229 | 129.9 Ų | 129.9 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | trans | -58.8 | 103.2 | 171.4 | -179 | -177.6 | -170 | -115.8 | 10.1 | 107 | G331 R335 | G331-R333 PolarHBondContact O-N 3.3Å; R333-R335 PolarHBondContact O-N 2.8Å; R333-R335 VanDerWaalsContact O-N 3.14Å | ||
| 334 | R | 50.8 | Low | 57 | Low | 163 Ų | 163 | 128 Ų | 128 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | trans | -27.7 | 117.5 | 175.9 | -62.3 | 178 | -178.9 | -167 | -1.6 | 110.6 | G332 R336 | G332-R334 PolarHBondContact O-N 3.39Å; R334-R336 PolarHBondContact O-N 3.34Å | ||
| 335 | R | 51.8 | Low | 59.5 | Low | 249 Ų | 249 | 129.5 Ų | 129.5 | 94% | 0.94 | 69% | 0.69 | S | S | * | * | trans | -62.7 | 83.2 | 150.9 | -77.7 | -168.2 | 178.4 | -160.1 | 1.1 | 106.4 | R333 T337 | R333-R335 PolarHBondContact O-N 2.8Å; R333-R335 VanDerWaalsContact O-N 3.14Å; R335-T337 PolarHBondContact O-N 3.08Å; R335-T337 VanDerWaalsContact O-N 3.15Å | ||
| 336 | R | 52.8 | Low | 62 | Low | 199 Ų | 199 | 128.3 Ų | 128.3 | 75% | 0.751 | 68% | 0.678 | S | S | * | * | trans | -54.1 | 115.1 | 147.5 | -60.9 | 178 | -171.4 | 160.9 | 0.9 | 103.4 | R334 V338 | R334-R336 PolarHBondContact O-N 3.34Å; R336-V338 HydrophobicContact CB-CG2 4.16Å; R336-V338 PolarHBondContact O-N 2.93Å | ||
| 337 | T | 52.9 | Low | 64.4 | Low | 84 Ų | 84 | 128.8 Ų | 128.8 | 52% | 0.515 | 67% | 0.668 | S | S | . | * | trans | -58.6 | 101.5 | 150.5 | 35.2 | 0 | 0 | 0 | 0 | 105 | R335 D339 | R335-T337 PolarHBondContact O-N 3.08Å; R335-T337 VanDerWaalsContact O-N 3.15Å; T337-D339 PolarHBondContact O-N 3.17Å | ||
| 338 | V | 60.2 | Low | 66.8 | Low | 137 Ų | 137 | 127.7 Ų | 127.7 | 83% | 0.83 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -9.6 | 175.6 | 173.3 | 0 | 0 | 0 | 0 | 110.3 | R336 | R336-V338 HydrophobicContact CB-CG2 4.16Å; R336-V338 PolarHBondContact O-N 2.93Å |
| 339 | D | 60.1 | Low | 68.9 | Low | 161 Ų | 161 | 126.7 Ų | 126.7 | 86% | 0.861 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 27.5 | -171 | -138.6 | 15.8 | 0 | 0 | 0 | 112 | T337 | T337-D339 PolarHBondContact O-N 3.17Š|
| 340 | E | 63.8 | Low | 71.3 | Confident | 53 Ų | 53 | 125.8 Ų | 125.8 | 25% | 0.248 | 62% | 0.62 | C | S | . | * | S | Bend | trans | -93.7 | 113.6 | 154.6 | -80.9 | -138.9 | 167.3 | 0 | 0 | 108.2 | R348 | E340-R348 IonicContact OE1-CZ 3.8Å; E340-R348 IonicContact OE1-NH1 3.35Å; E340-R348 PolarHBondContact OE1-NH1 2.67Å; E340-R348 IonicContact OE1-NH2 2.57Å; E340-R348 PolarHBondContact OE1-NH2 2.95Å; E340-R348 IonicContact OE2-CZ 3.9Å; E340-R348 IonicContact OE2-NE 2.72Å; E340-R348 IonicContact OE2-NH1 2.83Å; E340-R348 PolarHBondContact OE2-NH1 2.79Å; E340-R348 IonicContact OE2-NH2 3.04Å |
| 341 | D | 86.8 | Confident | 73.7 | Confident | 88 Ų | 88 | 125.8 Ų | 125.8 | 47% | 0.471 | 61% | 0.611 | S | S | . | * | trans | -45.8 | 130 | 176.1 | -176.8 | -14.3 | 0 | 0 | 0 | 110.9 | D343 E344 R345 | D341-D343 PolarHBondContact O-N 3.47Å; D341-D343 VanDerWaalsContact O-N 3.14Å; D341-D343 PolarHBondContact OD1-N 3.36Å; D341-E344 HydrophobicContact CB-CB 4.15Å; D341-E344 HydrophobicContact CB-CG 4.21Å; D341-E344 PolarHBondContact O-N 3.42Å; D341-E344 VanDerWaalsContact O-N 3.11Å; D341-R345 PolarHBondContact O-N 3.31Å | ||
| 342 | P | 89.2 | Confident | 76.3 | Confident | 103 Ų | 103 | 129.6 Ų | 129.6 | 67% | 0.669 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -43.2 | -39 | 168 | -31.3 | 36.7 | 0 | 0 | 0 | 114.6 | R346 | P342-R346 WeakPolarHBondContact O-CB 3.28Å; P342-R346 PolarHBondContact O-N 3.04Å |
| 343 | D | 90.4 | Very high | 78.9 | Confident | 99 Ų | 99 | 130.1 Ų | 130.1 | 53% | 0.529 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.5 | -35.2 | 179.7 | -90.2 | -35.8 | 0 | 0 | 0 | 113.3 | D341 R345 R346 Q347 | D341-D343 PolarHBondContact O-N 3.47Å; D341-D343 VanDerWaalsContact O-N 3.14Å; D341-D343 PolarHBondContact OD1-N 3.36Å; D343-R345 PolarHBondContact O-N 3.16Å; D343-R346 CarbonylContact O-C 3.59Å; D343-R346 WeakPolarHBondContact O-CB 3.36Å; D343-R346 PolarHBondContact O-N 2.83Å; D343-Q347 WeakPolarHBondContact O-CB 3.41Å; D343-Q347 PolarHBondContact O-N 3.37Å |
| 344 | E | 92.8 | Very high | 81.5 | Confident | 89 Ų | 89 | 127.7 Ų | 127.7 | 42% | 0.416 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.5 | -45.6 | 168.3 | -84.5 | -159 | -146.5 | 0 | 0 | 111.4 | D341 R346 Q347 R348 | D341-E344 HydrophobicContact CB-CB 4.15Å; D341-E344 HydrophobicContact CB-CG 4.21Å; D341-E344 PolarHBondContact O-N 3.42Å; D341-E344 VanDerWaalsContact O-N 3.11Å; E344-R346 PolarHBondContact O-N 3.19Å; E344-Q347 PolarHBondContact O-N 3.45Å; E344-R348 WeakPolarHBondContact O-CB 3.39Å; E344-R348 VanDerWaalsContact O-CG 3.27Å; E344-R348 WeakPolarHBondContact O-CG 3.36Å; E344-R348 PolarHBondContact O-N 3.3Å; E344-R348 IonicContact OE2-CZ 3.51Å; E344-R348 IonicContact OE2-NE 3.59Å; E344-R348 IonicContact OE2-NH2 2.67Å; E344-R348 PolarHBondContact OE2-NH2 3.39Å |
| 345 | R | 91.4 | Very high | 83.8 | Confident | 130 Ų | 130 | 121.6 Ų | 121.6 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.4 | -38 | 177.2 | -175 | 173.8 | -62.7 | 153.4 | 11.3 | 111.4 | D341 D343 F349 | D341-R345 PolarHBondContact O-N 3.31Å; D343-R345 PolarHBondContact O-N 3.16Å; R345-F349 PolarHBondContact O-N 2.97Å; R345-F349 VanDerWaalsContact O-N 3.13Å |
| 346 | R | 94.3 | Very high | 86 | Confident | 152 Ų | 152 | 112.3 Ų | 112.3 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68 | -43.9 | 175.7 | -173.3 | 171.7 | 177.3 | -90.2 | -3 | 111.8 | P342 D343 E344 F349 L350 | P342-R346 WeakPolarHBondContact O-CB 3.28Å; P342-R346 PolarHBondContact O-N 3.04Å; D343-R346 CarbonylContact O-C 3.59Å; D343-R346 WeakPolarHBondContact O-CB 3.36Å; D343-R346 PolarHBondContact O-N 2.83Å; E344-R346 PolarHBondContact O-N 3.19Å; R346-F349 PolarHBondContact O-N 2.92Å; R346-L350 HydrophobicContact CG-CD1 4.23Å; R346-L350 WeakPolarHBondContact O-CG 3.4Å; R346-L350 PolarHBondContact O-N 3.23Å |
| 347 | Q | 95.3 | Very high | 88.2 | Confident | 138 Ų | 138 | 104.6 Ų | 104.6 | 65% | 0.645 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.2 | -49.9 | 174.3 | 177.7 | 170.2 | -24.5 | 0 | 0 | 111.3 | D343 E344 F349 L350 E351 | D343-Q347 WeakPolarHBondContact O-CB 3.41Å; D343-Q347 PolarHBondContact O-N 3.37Å; E344-Q347 PolarHBondContact O-N 3.45Å; Q347-F349 PolarHBondContact O-N 3.12Å; Q347-L350 PolarHBondContact O-N 3.49Å; Q347-L350 VanDerWaalsContact O-N 3.12Å; Q347-E351 WeakPolarHBondContact O-CB 3.18Å; Q347-E351 PolarHBondContact O-N 2.74Å |
| 348 | R | 95.3 | Very high | 90.3 | Very high | 97 Ų | 97 | 104 Ų | 104 | 37% | 0.366 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -31.3 | 177.2 | -65.3 | 169.9 | -170.2 | -153 | 14.6 | 112.3 | E340 E344 R352 | E340-R348 IonicContact OE1-CZ 3.8Å; E340-R348 IonicContact OE1-NH1 3.35Å; E340-R348 PolarHBondContact OE1-NH1 2.67Å; E340-R348 IonicContact OE1-NH2 2.57Å; E340-R348 PolarHBondContact OE1-NH2 2.95Å; E340-R348 IonicContact OE2-CZ 3.9Å; E340-R348 IonicContact OE2-NE 2.72Å; E340-R348 IonicContact OE2-NH1 2.83Å; E340-R348 PolarHBondContact OE2-NH1 2.79Å; E340-R348 IonicContact OE2-NH2 3.04Å; E344-R348 WeakPolarHBondContact O-CB 3.39Å; E344-R348 VanDerWaalsContact O-CG 3.27Å; E344-R348 WeakPolarHBondContact O-CG 3.36Å; E344-R348 PolarHBondContact O-N 3.3Å; E344-R348 IonicContact OE2-CZ 3.51Å; E344-R348 IonicContact OE2-NE 3.59Å; E344-R348 IonicContact OE2-NH2 2.67Å; E344-R348 PolarHBondContact OE2-NH2 3.39Å; R348-R352 VanDerWaalsContact C-NH2 3.34Å; R348-R352 WeakPolarHBondContact O-CG 3.49Å; R348-R352 VanDerWaalsContact O-CZ 3.22Å; R348-R352 PolarHBondContact O-N 2.96Å; R348-R352 PolarHBondContact O-NE 3.43Å; R348-R352 PolarHBondContact O-NH2 3.15Å |
| 349 | F | 95.5 | Very high | 92.2 | Very high | 118 Ų | 118 | 106.1 Ų | 106.1 | 52% | 0.518 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73 | -46 | 172.6 | 177.2 | -92.7 | 0 | 0 | 0 | 112.2 | R345 R346 Q347 E351 R352 N353 | R345-F349 PolarHBondContact O-N 2.97Å; R345-F349 VanDerWaalsContact O-N 3.13Å; R346-F349 PolarHBondContact O-N 2.92Å; Q347-F349 PolarHBondContact O-N 3.12Å; F349-E351 VanDerWaalsContact C-N 3.3Å; F349-E351 PolarHBondContact O-N 3.22Å; F349-R352 PolarHBondContact O-N 3.38Å; F349-N353 WeakPolarHBondContact O-CB 3.45Å; F349-N353 PolarHBondContact O-N 3.49Å |
| 350 | L | 97.6 | Very high | 94 | Very high | 76 Ų | 76 | 102.7 Ų | 102.7 | 40% | 0.398 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 178.2 | -71.7 | 170.7 | 0 | 0 | 0 | 112 | R346 Q347 N353 R354 | R346-L350 HydrophobicContact CG-CD1 4.23Å; R346-L350 WeakPolarHBondContact O-CG 3.4Å; R346-L350 PolarHBondContact O-N 3.23Å; Q347-L350 PolarHBondContact O-N 3.49Å; Q347-L350 VanDerWaalsContact O-N 3.12Å; L350-N353 PolarHBondContact O-N 3.01Å; L350-R354 VanDerWaalsContact O-CB 3.3Å; L350-R354 WeakPolarHBondContact O-CB 3.39Å; L350-R354 PolarHBondContact O-N 3.33Å |
| 351 | E | 97.4 | Very high | 95.7 | Very high | 128 Ų | 128 | 109.5 Ų | 109.5 | 60% | 0.598 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.1 | -47.8 | 173.6 | -177.4 | 173.5 | -119.1 | 0 | 0 | 112.1 | Q347 F349 N353 R354 A355 | Q347-E351 WeakPolarHBondContact O-CB 3.18Å; Q347-E351 PolarHBondContact O-N 2.74Å; F349-E351 VanDerWaalsContact C-N 3.3Å; F349-E351 PolarHBondContact O-N 3.22Å; E351-N353 VanDerWaalsContact C-N 3.29Å; E351-N353 PolarHBondContact O-N 3.47Å; E351-R354 WeakPolarHBondContact O-CB 3.46Å; E351-R354 PolarHBondContact O-N 3.29Å; E351-A355 WeakPolarHBondContact O-CB 3.28Å; E351-A355 PolarHBondContact O-N 3.44Å |
| 352 | R | 97.4 | Very high | 96.2 | Very high | 148 Ų | 148 | 110.2 Ų | 110.2 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.7 | -40.3 | 173.3 | -82.6 | 177.8 | -86.8 | 119.3 | -4.6 | 112 | R348 F349 A355 A356 | R348-R352 VanDerWaalsContact C-NH2 3.34Å; R348-R352 WeakPolarHBondContact O-CG 3.49Å; R348-R352 VanDerWaalsContact O-CZ 3.22Å; R348-R352 PolarHBondContact O-N 2.96Å; R348-R352 PolarHBondContact O-NE 3.43Å; R348-R352 PolarHBondContact O-NH2 3.15Å; F349-R352 PolarHBondContact O-N 3.38Å; R352-A355 PolarHBondContact O-N 2.96Å; R352-A356 WeakPolarHBondContact O-CB 3.39Å; R352-A356 PolarHBondContact O-N 3.4Å |
| 353 | N | 97.9 | Very high | 96.7 | Very high | 91 Ų | 91 | 113.3 Ų | 113.3 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 174.4 | -175.6 | -84.6 | 0 | 0 | 0 | 111.8 | F349 L350 E351 A355 A356 A357 | F349-N353 WeakPolarHBondContact O-CB 3.45Å; F349-N353 PolarHBondContact O-N 3.49Å; L350-N353 PolarHBondContact O-N 3.01Å; E351-N353 VanDerWaalsContact C-N 3.29Å; E351-N353 PolarHBondContact O-N 3.47Å; N353-A355 VanDerWaalsContact C-N 3.34Å; N353-A355 PolarHBondContact O-N 3.48Å; N353-A356 PolarHBondContact O-N 2.88Å; N353-A356 VanDerWaalsContact O-N 3.15Å; N353-A357 WeakPolarHBondContact O-CB 3.45Å; N353-A357 PolarHBondContact O-N 3.24Å |
| 354 | R | 98.6 | Very high | 97.1 | Very high | 179 Ų | 179 | 116.9 Ų | 116.9 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -57.4 | -46 | 175.5 | -168.4 | -173.6 | -57.9 | -98.7 | 3.1 | 111.3 | L350 E351 A356 A357 S358 | L350-R354 VanDerWaalsContact O-CB 3.3Å; L350-R354 WeakPolarHBondContact O-CB 3.39Å; L350-R354 PolarHBondContact O-N 3.33Å; E351-R354 WeakPolarHBondContact O-CB 3.46Å; E351-R354 PolarHBondContact O-N 3.29Å; R354-A356 PolarHBondContact O-N 2.89Å; R354-A357 PolarHBondContact O-N 3.2Å; R354-S358 PolarHBondContact O-N 3.28Å; R354-S358 PolarHBondContact O-OG 2.91Å |
| 355 | A | 98.3 | Very high | 97.4 | Very high | 35 Ų | 35 | 119.7 Ų | 119.7 | 29% | 0.289 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.1 | -29.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E351 R352 N353 R359 | E351-A355 WeakPolarHBondContact O-CB 3.28Å; E351-A355 PolarHBondContact O-N 3.44Å; R352-A355 PolarHBondContact O-N 2.96Å; N353-A355 VanDerWaalsContact C-N 3.34Å; N353-A355 PolarHBondContact O-N 3.48Å; A355-R359 WeakPolarHBondContact O-CB 3.27Å; A355-R359 WeakPolarHBondContact O-CG 3.42Å; A355-R359 PolarHBondContact O-N 2.9Å; A355-R359 PolarHBondContact O-NE 3.48Å |
| 356 | A | 98.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 118.6 Ų | 118.6 | 45% | 0.446 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.1 | -43 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R352 N353 R354 R359 C360 | R352-A356 WeakPolarHBondContact O-CB 3.39Å; R352-A356 PolarHBondContact O-N 3.4Å; N353-A356 PolarHBondContact O-N 2.88Å; N353-A356 VanDerWaalsContact O-N 3.15Å; R354-A356 PolarHBondContact O-N 2.89Å; A356-R359 PolarHBondContact O-N 2.94Å; A356-C360 WeakPolarHBondContact O-CB 3.43Å; A356-C360 PolarHBondContact O-N 2.98Å |
| 357 | A | 98.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 119 Ų | 119 | 31% | 0.306 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N353 R354 C360 R361 | N353-A357 WeakPolarHBondContact O-CB 3.45Å; N353-A357 PolarHBondContact O-N 3.24Å; R354-A357 PolarHBondContact O-N 3.2Å; A357-C360 PolarHBondContact O-N 3.01Å; A357-R361 WeakPolarHBondContact O-CB 3.48Å; A357-R361 VanDerWaalsContact O-CG 3.29Å; A357-R361 WeakPolarHBondContact O-CG 3.35Å; A357-R361 PolarHBondContact O-N 3.12Å |
| 358 | S | 98.5 | Very high | 98.1 | Very high | 72 Ų | 72 | 114.9 Ų | 114.9 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 173.3 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | R354 R361 Q362 | R354-S358 PolarHBondContact O-N 3.28Å; R354-S358 PolarHBondContact O-OG 2.91Å; S358-R361 PolarHBondContact O-N 3.32Å; S358-Q362 WeakPolarHBondContact O-CB 3.3Å; S358-Q362 PolarHBondContact O-N 2.72Å |
| 359 | R | 98.6 | Very high | 98.2 | Very high | 181 Ų | 181 | 113.3 Ų | 113.3 | 68% | 0.683 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.9 | -38.6 | 175.6 | -81.5 | 179.3 | -90.8 | -141.1 | 1.7 | 112.9 | A355 A356 Q362 K363 | A355-R359 WeakPolarHBondContact O-CB 3.27Å; A355-R359 WeakPolarHBondContact O-CG 3.42Å; A355-R359 PolarHBondContact O-N 2.9Å; A355-R359 PolarHBondContact O-NE 3.48Å; A356-R359 PolarHBondContact O-N 2.94Å; R359-Q362 PolarHBondContact O-N 2.69Å; R359-K363 WeakPolarHBondContact O-CB 3.49Å; R359-K363 PolarHBondContact O-N 2.7Å |
| 360 | C | 98.6 | Very high | 98.4 | Very high | 89 Ų | 89 | 111.4 Ų | 111.4 | 60% | 0.601 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.9 | -48.8 | 174.1 | -178 | 0 | 0 | 0 | 0 | 111.6 | A356 A357 Q362 K363 R364 | A356-C360 WeakPolarHBondContact O-CB 3.43Å; A356-C360 PolarHBondContact O-N 2.98Å; A357-C360 PolarHBondContact O-N 3.01Å; C360-Q362 PolarHBondContact O-N 3.03Å; C360-K363 PolarHBondContact O-N 2.78Å; C360-R364 PolarHBondContact O-N 2.68Å |
| 361 | R | 98.7 | Very high | 98.4 | Very high | 195 Ų | 195 | 112.2 Ų | 112.2 | 74% | 0.736 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.3 | -44.2 | 175.9 | -71.4 | 172.5 | -178.1 | -167.2 | -0.1 | 111.8 | A357 S358 R364 K365 | A357-R361 WeakPolarHBondContact O-CB 3.48Å; A357-R361 VanDerWaalsContact O-CG 3.29Å; A357-R361 WeakPolarHBondContact O-CG 3.35Å; A357-R361 PolarHBondContact O-N 3.12Å; S358-R361 PolarHBondContact O-N 3.32Å; R361-R364 PolarHBondContact O-N 2.91Å; R361-K365 PolarHBondContact O-N 3.32Å |
| 362 | Q | 98.7 | Very high | 98.5 | Very high | 104 Ų | 104 | 111.3 Ų | 111.3 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 178 | -175 | 65.3 | -0.6 | 0 | 0 | 112.1 | S358 R359 C360 R364 K365 L366 | S358-Q362 WeakPolarHBondContact O-CB 3.3Å; S358-Q362 PolarHBondContact O-N 2.72Å; R359-Q362 PolarHBondContact O-N 2.69Å; C360-Q362 PolarHBondContact O-N 3.03Å; Q362-R364 VanDerWaalsContact C-N 3.32Å; Q362-R364 PolarHBondContact O-N 2.91Å; Q362-K365 PolarHBondContact O-N 3.47Å; Q362-L366 HydrophobicContact CG-CD1 4.29Å; Q362-L366 WeakPolarHBondContact O-CG 3.33Å; Q362-L366 PolarHBondContact O-N 2.94Å |
| 363 | K | 98.6 | Very high | 98.6 | Very high | 167 Ų | 167 | 111.1 Ų | 111.1 | 73% | 0.726 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.9 | -41.1 | 173.9 | -172.9 | 175.8 | -179.4 | 179.5 | 0 | 111.3 | R359 C360 W367 | R359-K363 WeakPolarHBondContact O-CB 3.49Å; R359-K363 PolarHBondContact O-N 2.7Å; C360-K363 PolarHBondContact O-N 2.78Å; K363-W367 WeakPolarHBondContact O-CB 3.45Å; K363-W367 PolarHBondContact O-N 3.46Å |
| 364 | R | 98.5 | Very high | 98.6 | Very high | 174 Ų | 174 | 110.9 Ų | 110.9 | 66% | 0.657 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 174.3 | -173.6 | 172.7 | 179 | 161.3 | 0.7 | 112.2 | C360 R361 Q362 W367 V368 | C360-R364 PolarHBondContact O-N 2.68Å; R361-R364 PolarHBondContact O-N 2.91Å; Q362-R364 VanDerWaalsContact C-N 3.32Å; Q362-R364 PolarHBondContact O-N 2.91Å; R364-W367 PolarHBondContact O-N 3.33Å; R364-V368 HydrophobicContact CG-CG2 4.39Å; R364-V368 WeakPolarHBondContact O-CG2 3.17Å; R364-V368 PolarHBondContact O-N 3Å |
| 365 | K | 98.8 | Very high | 98.6 | Very high | 148 Ų | 148 | 104.9 Ų | 104.9 | 64% | 0.643 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.6 | -45.7 | 176.8 | -174.2 | 176.7 | -180 | 179.3 | 0 | 111.8 | R361 Q362 V368 S369 | R361-K365 PolarHBondContact O-N 3.32Å; Q362-K365 PolarHBondContact O-N 3.47Å; K365-V368 PolarHBondContact O-N 3.38Å; K365-S369 WeakPolarHBondContact O-CB 3.44Å; K365-S369 PolarHBondContact O-N 3.01Å |
| 366 | L | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 109.5 Ų | 109.5 | 56% | 0.56 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 176.8 | -68.8 | 172.2 | 0 | 0 | 0 | 112.2 | Q362 S370 | Q362-L366 HydrophobicContact CG-CD1 4.29Å; Q362-L366 WeakPolarHBondContact O-CG 3.33Å; Q362-L366 PolarHBondContact O-N 2.94Å; L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 2.98Å |
| 367 | W | 98.4 | Very high | 98.6 | Very high | 161 Ų | 161 | 110.6 Ų | 110.6 | 61% | 0.61 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -46.4 | 176.1 | 178 | 53.8 | 0 | 0 | 0 | 112.3 | K363 R364 S370 L371 | K363-W367 WeakPolarHBondContact O-CB 3.45Å; K363-W367 PolarHBondContact O-N 3.46Å; R364-W367 PolarHBondContact O-N 3.33Å; W367-S370 PolarHBondContact O-N 3.34Å; W367-L371 HydrophobicContact CD2-CD1 4.22Å; W367-L371 HydrophobicContact CH2-CD1 4.48Å; W367-L371 HydrophobicContact CZ2-CD1 3.89Å; W367-L371 WeakPolarHBondContact O-CG 3.22Å; W367-L371 PolarHBondContact O-N 2.94Å |
| 368 | V | 98.7 | Very high | 98.7 | Very high | 52 Ų | 52 | 113.2 Ų | 113.2 | 32% | 0.315 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | R364 K365 S370 L371 E372 | R364-V368 HydrophobicContact CG-CG2 4.39Å; R364-V368 WeakPolarHBondContact O-CG2 3.17Å; R364-V368 PolarHBondContact O-N 3Å; K365-V368 PolarHBondContact O-N 3.38Å; V368-S370 VanDerWaalsContact C-N 3.25Å; V368-S370 PolarHBondContact O-N 3.26Å; V368-L371 WeakPolarHBondContact O-CA 3.42Å; V368-L371 WeakPolarHBondContact O-CB 3.49Å; V368-L371 PolarHBondContact O-N 3.47Å; V368-E372 HydrophobicContact CG1-CG 4.27Å; V368-E372 VanDerWaalsContact CG1-OE1 3.3Å; V368-E372 WeakPolarHBondContact CG1-OE1 3.34Å; V368-E372 WeakPolarHBondContact O-CG 3.26Å; V368-E372 PolarHBondContact O-N 2.7Å |
| 369 | S | 98.6 | Very high | 98.7 | Very high | 64 Ų | 64 | 113.7 Ų | 113.7 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.5 | -32 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 113.6 | K365 E372 K373 | K365-S369 WeakPolarHBondContact O-CB 3.44Å; K365-S369 PolarHBondContact O-N 3.01Å; S369-E372 VanDerWaalsContact CA-OE2 3.29Å; S369-E372 WeakPolarHBondContact CA-OE2 3.38Å; S369-K373 WeakPolarHBondContact O-CB 3.47Å; S369-K373 PolarHBondContact O-N 3.35Å |
| 370 | S | 98.8 | Very high | 98.7 | Very high | 78 Ų | 78 | 107.8 Ų | 107.8 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.4 | -26.5 | 173.3 | -170.6 | 0 | 0 | 0 | 0 | 113.5 | L366 W367 V368 K374 | L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 2.98Å; W367-S370 PolarHBondContact O-N 3.34Å; V368-S370 VanDerWaalsContact C-N 3.25Å; V368-S370 PolarHBondContact O-N 3.26Å; S370-K374 WeakPolarHBondContact O-CB 3.4Å; S370-K374 PolarHBondContact O-N 2.82Å |
| 371 | L | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 107 Ų | 107 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -79.3 | -43.3 | 173.9 | -69.2 | 173.2 | 0 | 0 | 0 | 111 | W367 V368 K374 A375 | W367-L371 HydrophobicContact CD2-CD1 4.22Å; W367-L371 HydrophobicContact CH2-CD1 4.48Å; W367-L371 HydrophobicContact CZ2-CD1 3.89Å; W367-L371 WeakPolarHBondContact O-CG 3.22Å; W367-L371 PolarHBondContact O-N 2.94Å; V368-L371 WeakPolarHBondContact O-CA 3.42Å; V368-L371 WeakPolarHBondContact O-CB 3.49Å; V368-L371 PolarHBondContact O-N 3.47Å; L371-K374 PolarHBondContact O-N 2.99Å; L371-K374 VanDerWaalsContact O-N 3.12Å; L371-A375 PolarHBondContact O-N 3.3Å |
| 372 | E | 98.7 | Very high | 98.7 | Very high | 108 Ų | 108 | 102.7 Ų | 102.7 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -54.5 | -54.5 | 173.1 | -69.8 | 164.4 | 162.4 | 0 | 0 | 110 | V368 S369 K374 A375 E376 | V368-E372 HydrophobicContact CG1-CG 4.27Å; V368-E372 VanDerWaalsContact CG1-OE1 3.3Å; V368-E372 WeakPolarHBondContact CG1-OE1 3.34Å; V368-E372 WeakPolarHBondContact O-CG 3.26Å; V368-E372 PolarHBondContact O-N 2.7Å; S369-E372 VanDerWaalsContact CA-OE2 3.29Å; S369-E372 WeakPolarHBondContact CA-OE2 3.38Å; E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 PolarHBondContact O-N 2.77Å; E372-A375 WeakPolarHBondContact O-CB 3.27Å; E372-A375 PolarHBondContact O-N 2.95Å; E372-A375 VanDerWaalsContact O-N 3.09Å; E372-E376 WeakPolarHBondContact O-CG 3.37Å; E372-E376 PolarHBondContact O-N 3.31Å |
| 373 | K | 98.8 | Very high | 98.7 | Very high | 144 Ų | 144 | 102.1 Ų | 102.1 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58 | -34.9 | 175.4 | -176.3 | 175.2 | 179.4 | 179.7 | 0 | 113.5 | S369 E377 | S369-K373 WeakPolarHBondContact O-CB 3.47Å; S369-K373 PolarHBondContact O-N 3.35Å; K373-E377 WeakPolarHBondContact O-CB 3.37Å; K373-E377 PolarHBondContact O-N 3.49Å |
| 374 | K | 98.6 | Very high | 98.7 | Very high | 86 Ų | 86 | 99.8 Ų | 99.8 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.3 | -31.1 | 178.7 | -169.6 | 50.8 | 170.5 | 172.1 | 0 | 112.2 | S370 L371 E372 E377 L378 | S370-K374 WeakPolarHBondContact O-CB 3.4Å; S370-K374 PolarHBondContact O-N 2.82Å; L371-K374 PolarHBondContact O-N 2.99Å; L371-K374 VanDerWaalsContact O-N 3.12Å; E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 PolarHBondContact O-N 2.77Å; K374-E377 HydrophobicContact CD-CB 4.33Å; K374-E377 WeakPolarHBondContact CD-OE2 3.27Å; K374-E377 IonicContact NZ-OE1 3.39Å; K374-E377 PolarHBondContact NZ-OE1 2.96Å; K374-E377 IonicContact NZ-OE2 3.48Å; K374-E377 PolarHBondContact NZ-OE2 3.5Å; K374-L378 HydrophobicContact CD-CD1 4.47Å; K374-L378 HydrophobicContact CD-CG 4.31Å; K374-L378 HydrophobicContact CG-CD1 4.21Å; K374-L378 WeakPolarHBondContact O-CB 3.44Å; K374-L378 VanDerWaalsContact O-CG 3.26Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.13Å |
| 375 | A | 98.8 | Very high | 98.7 | Very high | 54 Ų | 54 | 96.4 Ų | 96.4 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L371 E372 T379 | L371-A375 PolarHBondContact O-N 3.3Å; E372-A375 WeakPolarHBondContact O-CB 3.27Å; E372-A375 PolarHBondContact O-N 2.95Å; E372-A375 VanDerWaalsContact O-N 3.09Å; A375-T379 VanDerWaalsContact O-CB 3.27Å; A375-T379 WeakPolarHBondContact O-CB 3.26Å; A375-T379 PolarHBondContact O-N 3.13Å; A375-T379 PolarHBondContact O-OG1 2.94Å |
| 376 | E | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 91.9 Ų | 91.9 | 61% | 0.612 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60 | -48.3 | 171.9 | -67.8 | 167 | 178.2 | 0 | 0 | 111.6 | E372 T379 S380 | E372-E376 WeakPolarHBondContact O-CG 3.37Å; E372-E376 PolarHBondContact O-N 3.31Å; E376-T379 PolarHBondContact O-N 2.98Å; E376-S380 WeakPolarHBondContact O-CB 3.12Å; E376-S380 PolarHBondContact O-N 3.22Å |
| 377 | E | 98.8 | Very high | 98.7 | Very high | 78 Ų | 78 | 91.3 Ų | 91.3 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 179.2 | -166.2 | -153 | 135.4 | 0 | 0 | 111.9 | K373 K374 S380 Q381 | K373-E377 WeakPolarHBondContact O-CB 3.37Å; K373-E377 PolarHBondContact O-N 3.49Å; K374-E377 HydrophobicContact CD-CB 4.33Å; K374-E377 WeakPolarHBondContact CD-OE2 3.27Å; K374-E377 IonicContact NZ-OE1 3.39Å; K374-E377 PolarHBondContact NZ-OE1 2.96Å; K374-E377 IonicContact NZ-OE2 3.48Å; K374-E377 PolarHBondContact NZ-OE2 3.5Å; E377-S380 PolarHBondContact O-N 2.89Å; E377-Q381 WeakPolarHBondContact O-CG 3.46Å; E377-Q381 PolarHBondContact O-N 2.91Å; E377-Q381 PolarHBondContact OE1-NE2 2.99Å |
| 378 | L | 98.8 | Very high | 98.7 | Very high | 92 Ų | 92 | 88.5 Ų | 88.5 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67 | -35.7 | 178 | -71.4 | 170.4 | 0 | 0 | 0 | 112.3 | K374 Q381 N382 | K374-L378 HydrophobicContact CD-CD1 4.47Å; K374-L378 HydrophobicContact CD-CG 4.31Å; K374-L378 HydrophobicContact CG-CD1 4.21Å; K374-L378 WeakPolarHBondContact O-CB 3.44Å; K374-L378 VanDerWaalsContact O-CG 3.26Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.13Å; L378-Q381 PolarHBondContact O-N 2.72Å; L378-N382 VanDerWaalsContact O-CB 3.3Å; L378-N382 WeakPolarHBondContact O-CB 3.46Å; L378-N382 PolarHBondContact O-N 3.09Å |
| 379 | T | 98.8 | Very high | 98.7 | Very high | 81 Ų | 81 | 89.2 Ų | 89.2 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 173.5 | -59.2 | 0 | 0 | 0 | 0 | 110.9 | A375 E376 N382 I383 | A375-T379 VanDerWaalsContact O-CB 3.27Å; A375-T379 WeakPolarHBondContact O-CB 3.26Å; A375-T379 PolarHBondContact O-N 3.13Å; A375-T379 PolarHBondContact O-OG1 2.94Å; E376-T379 PolarHBondContact O-N 2.98Å; T379-N382 PolarHBondContact O-N 3.23Å; T379-I383 HydrophobicContact CG2-CD1 4.03Å; T379-I383 WeakPolarHBondContact O-CG1 3.48Å; T379-I383 PolarHBondContact O-N 3.18Å |
| 380 | S | 98.9 | Very high | 98.7 | Very high | 57 Ų | 57 | 89.5 Ų | 89.5 | 40% | 0.399 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 176.1 | -174 | 0 | 0 | 0 | 0 | 112.2 | E376 E377 I383 Q384 | E376-S380 WeakPolarHBondContact O-CB 3.12Å; E376-S380 PolarHBondContact O-N 3.22Å; E377-S380 PolarHBondContact O-N 2.89Å; S380-I383 PolarHBondContact O-N 3.07Å; S380-Q384 VanDerWaalsContact O-CG 3.27Å; S380-Q384 WeakPolarHBondContact O-CG 3.48Å; S380-Q384 PolarHBondContact O-N 3.1Å; S380-Q384 PolarHBondContact O-NE2 3.12Å; S380-Q384 PolarHBondContact OG-NE2 2.8Å |
| 381 | Q | 98.8 | Very high | 98.7 | Very high | 74 Ų | 74 | 91.5 Ų | 91.5 | 35% | 0.346 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 174.8 | -74.4 | 164.3 | 2.5 | 0 | 0 | 112 | E377 L378 Q384 L385 | E377-Q381 WeakPolarHBondContact O-CG 3.46Å; E377-Q381 PolarHBondContact O-N 2.91Å; E377-Q381 PolarHBondContact OE1-NE2 2.99Å; L378-Q381 PolarHBondContact O-N 2.72Å; Q381-Q384 PolarHBondContact O-N 3.22Å; Q381-L385 WeakPolarHBondContact O-CB 3.42Å; Q381-L385 WeakPolarHBondContact O-CG 3.49Å; Q381-L385 PolarHBondContact O-N 3.08Å |
| 382 | N | 98.7 | Very high | 98.7 | Very high | 104 Ų | 104 | 91.2 Ų | 91.2 | 56% | 0.556 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.3 | -42.2 | 176.5 | -172.8 | -79.9 | 0 | 0 | 0 | 112.2 | L378 T379 S386 | L378-N382 VanDerWaalsContact O-CB 3.3Å; L378-N382 WeakPolarHBondContact O-CB 3.46Å; L378-N382 PolarHBondContact O-N 3.09Å; T379-N382 PolarHBondContact O-N 3.23Å; N382-S386 VanDerWaalsContact O-CB 3.27Å; N382-S386 WeakPolarHBondContact O-CB 3.25Å; N382-S386 PolarHBondContact O-N 3.19Å; N382-S386 PolarHBondContact O-OG 3.27Å |
| 383 | I | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 94.2 Ų | 94.2 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 174.6 | -67.9 | 164.3 | 0 | 0 | 0 | 110.7 | T379 S380 S386 N387 | T379-I383 HydrophobicContact CG2-CD1 4.03Å; T379-I383 WeakPolarHBondContact O-CG1 3.48Å; T379-I383 PolarHBondContact O-N 3.18Å; S380-I383 PolarHBondContact O-N 3.07Å; I383-S386 PolarHBondContact O-N 3.39Å; I383-N387 PolarHBondContact O-N 3.29Å; I383-N387 PolarHBondContact O-ND2 2.99Å |
| 384 | Q | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 92 Ų | 92 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.2 | -49.6 | 177.9 | -72.1 | 167.2 | 53 | 0 | 0 | 111.9 | S380 Q381 S386 N387 E388 | S380-Q384 VanDerWaalsContact O-CG 3.27Å; S380-Q384 WeakPolarHBondContact O-CG 3.48Å; S380-Q384 PolarHBondContact O-N 3.1Å; S380-Q384 PolarHBondContact O-NE2 3.12Å; S380-Q384 PolarHBondContact OG-NE2 2.8Å; Q381-Q384 PolarHBondContact O-N 3.22Å; Q384-S386 VanDerWaalsContact C-N 3.33Å; Q384-S386 PolarHBondContact O-N 3.01Å; Q384-N387 WeakPolarHBondContact O-CB 3.44Å; Q384-N387 PolarHBondContact O-N 3.38Å; Q384-E388 PolarHBondContact O-N 3.48Å |
| 385 | L | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 92.8 Ų | 92.8 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -34.8 | 177.6 | -68.1 | 169.1 | 0 | 0 | 0 | 112.4 | Q381 E388 V389 | Q381-L385 WeakPolarHBondContact O-CB 3.42Å; Q381-L385 WeakPolarHBondContact O-CG 3.49Å; Q381-L385 PolarHBondContact O-N 3.08Å; L385-E388 PolarHBondContact O-N 3.45Å; L385-V389 WeakPolarHBondContact O-CB 3.43Å; L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.3Å; L385-V389 PolarHBondContact O-N 3.34Å |
| 386 | S | 98.7 | Very high | 98.7 | Very high | 54 Ų | 54 | 93.8 Ų | 93.8 | 38% | 0.378 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -37 | 175.2 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | N382 I383 Q384 T390 | N382-S386 VanDerWaalsContact O-CB 3.27Å; N382-S386 WeakPolarHBondContact O-CB 3.25Å; N382-S386 PolarHBondContact O-N 3.19Å; N382-S386 PolarHBondContact O-OG 3.27Å; I383-S386 PolarHBondContact O-N 3.39Å; Q384-S386 VanDerWaalsContact C-N 3.33Å; Q384-S386 PolarHBondContact O-N 3.01Å; S386-T390 WeakPolarHBondContact O-CB 3.29Å; S386-T390 PolarHBondContact O-N 3.27Å; S386-T390 PolarHBondContact O-OG1 3.37Å |
| 387 | N | 98.8 | Very high | 98.7 | Very high | 94 Ų | 94 | 90.1 Ų | 90.1 | 50% | 0.503 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 173.5 | -67.7 | -18 | 0 | 0 | 0 | 111.1 | I383 Q384 T390 L391 | I383-N387 PolarHBondContact O-N 3.29Å; I383-N387 PolarHBondContact O-ND2 2.99Å; Q384-N387 WeakPolarHBondContact O-CB 3.44Å; Q384-N387 PolarHBondContact O-N 3.38Å; N387-T390 WeakPolarHBondContact O-CA 3.39Å; N387-T390 WeakPolarHBondContact O-CB 3.35Å; N387-T390 PolarHBondContact O-N 3.16Å; N387-T390 VanDerWaalsContact O-N 3.1Å; N387-L391 WeakPolarHBondContact O-CG 3.44Å; N387-L391 PolarHBondContact O-N 3.34Å |
| 388 | E | 98.7 | Very high | 98.6 | Very high | 103 Ų | 103 | 93.3 Ų | 93.3 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 175.9 | -173 | -176.7 | 171.3 | 0 | 0 | 111.9 | Q384 L385 T390 L391 L392 | Q384-E388 PolarHBondContact O-N 3.48Å; L385-E388 PolarHBondContact O-N 3.45Å; E388-T390 PolarHBondContact O-N 3.18Å; E388-L391 PolarHBondContact O-N 3.23Å; E388-L391 VanDerWaalsContact O-N 3.17Å; E388-L392 HydrophobicContact CG-CD1 4.11Å; E388-L392 WeakPolarHBondContact O-CG 3.35Å; E388-L392 PolarHBondContact O-N 3.04Å |
| 389 | V | 98.8 | Very high | 98.6 | Very high | 67 Ų | 67 | 93.2 Ų | 93.2 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.3 | -34.2 | 173.8 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | L385 R393 | L385-V389 WeakPolarHBondContact O-CB 3.43Å; L385-V389 VanDerWaalsContact O-CG2 3.29Å; L385-V389 WeakPolarHBondContact O-CG2 3.3Å; L385-V389 PolarHBondContact O-N 3.34Å; V389-R393 WeakPolarHBondContact O-CB 3.34Å; V389-R393 WeakPolarHBondContact O-CD 3.46Å; V389-R393 WeakPolarHBondContact O-CG 3.34Å; V389-R393 PolarHBondContact O-N 2.96Å; V389-R393 VanDerWaalsContact O-N 3.08Å |
| 390 | T | 98.8 | Very high | 98.5 | Very high | 69 Ų | 69 | 95.4 Ų | 95.4 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.4 | -42.2 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | S386 N387 E388 R393 N394 | S386-T390 WeakPolarHBondContact O-CB 3.29Å; S386-T390 PolarHBondContact O-N 3.27Å; S386-T390 PolarHBondContact O-OG1 3.37Å; N387-T390 WeakPolarHBondContact O-CA 3.39Å; N387-T390 WeakPolarHBondContact O-CB 3.35Å; N387-T390 PolarHBondContact O-N 3.16Å; N387-T390 VanDerWaalsContact O-N 3.1Å; E388-T390 PolarHBondContact O-N 3.18Å; T390-R393 PolarHBondContact O-N 3.25Å; T390-N394 PolarHBondContact O-N 3.03Å; T390-N394 PolarHBondContact O-ND2 3.31Å |
| 391 | L | 98.8 | Very high | 98.4 | Very high | 121 Ų | 121 | 98.9 Ų | 98.9 | 63% | 0.634 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.2 | -49.4 | 174.9 | -69.3 | 171.6 | 0 | 0 | 0 | 111.5 | N387 E388 R393 N394 E395 | N387-L391 WeakPolarHBondContact O-CG 3.44Å; N387-L391 PolarHBondContact O-N 3.34Å; E388-L391 PolarHBondContact O-N 3.23Å; E388-L391 VanDerWaalsContact O-N 3.17Å; L391-R393 VanDerWaalsContact C-N 3.31Å; L391-R393 PolarHBondContact O-N 2.95Å; L391-N394 WeakPolarHBondContact O-CB 3.4Å; L391-N394 PolarHBondContact O-N 3.44Å; L391-N394 VanDerWaalsContact O-N 3.09Å; L391-E395 PolarHBondContact O-N 2.96Å |
| 392 | L | 98.8 | Very high | 98.2 | Very high | 86 Ų | 86 | 100 Ų | 100 | 45% | 0.45 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 178.4 | -67.5 | 170.7 | 0 | 0 | 0 | 112.3 | E388 V396 | E388-L392 HydrophobicContact CG-CD1 4.11Å; E388-L392 WeakPolarHBondContact O-CG 3.35Å; E388-L392 PolarHBondContact O-N 3.04Å; L392-V396 WeakPolarHBondContact O-CB 3.4Å; L392-V396 VanDerWaalsContact O-CG2 3.29Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 2.93Å |
| 393 | R | 98.4 | Very high | 97.9 | Very high | 171 Ų | 171 | 101 Ų | 101 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 172.5 | -79.4 | 169 | 174.9 | -175.8 | -2.1 | 112.1 | V389 T390 L391 A397 | V389-R393 WeakPolarHBondContact O-CB 3.34Å; V389-R393 WeakPolarHBondContact O-CD 3.46Å; V389-R393 WeakPolarHBondContact O-CG 3.34Å; V389-R393 PolarHBondContact O-N 2.96Å; V389-R393 VanDerWaalsContact O-N 3.08Å; T390-R393 PolarHBondContact O-N 3.25Å; L391-R393 VanDerWaalsContact C-N 3.31Å; L391-R393 PolarHBondContact O-N 2.95Å; R393-A397 WeakPolarHBondContact O-CB 3.32Å; R393-A397 PolarHBondContact O-N 3.49Å |
| 394 | N | 98.6 | Very high | 97.6 | Very high | 98 Ų | 98 | 102.3 Ų | 102.3 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.9 | -68.5 | -16.7 | 0 | 0 | 0 | 111.5 | T390 L391 A397 Q398 | T390-N394 PolarHBondContact O-N 3.03Å; T390-N394 PolarHBondContact O-ND2 3.31Å; L391-N394 WeakPolarHBondContact O-CB 3.4Å; L391-N394 PolarHBondContact O-N 3.44Å; L391-N394 VanDerWaalsContact O-N 3.09Å; N394-A397 WeakPolarHBondContact O-CB 3.49Å; N394-A397 PolarHBondContact O-N 2.97Å; N394-Q398 WeakPolarHBondContact O-CB 3.39Å; N394-Q398 PolarHBondContact O-N 3.32Å |
| 395 | E | 98.4 | Very high | 97.3 | Very high | 103 Ų | 103 | 100.2 Ų | 100.2 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 174.1 | -175.8 | 179.2 | -172.9 | 0 | 0 | 111.4 | L391 A397 Q398 L399 | L391-E395 PolarHBondContact O-N 2.96Å; E395-A397 VanDerWaalsContact C-N 3.26Å; E395-A397 PolarHBondContact O-N 3.25Å; E395-Q398 PolarHBondContact O-N 3.19Å; E395-Q398 VanDerWaalsContact O-N 3.14Å; E395-L399 HydrophobicContact CG-CD1 4.04Å; E395-L399 HydrophobicContact CG-CG 4.43Å; E395-L399 WeakPolarHBondContact O-CB 3.29Å; E395-L399 WeakPolarHBondContact O-CG 3.45Å; E395-L399 PolarHBondContact O-N 3.26Å |
| 396 | V | 98.4 | Very high | 96.7 | Very high | 74 Ų | 74 | 100.1 Ų | 100.1 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -35.6 | 175.2 | 168.3 | 0 | 0 | 0 | 0 | 111.9 | L392 K400 | L392-V396 WeakPolarHBondContact O-CB 3.4Å; L392-V396 VanDerWaalsContact O-CG2 3.29Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 2.93Å; V396-K400 HydrophobicContact CG1-CD 4.11Å; V396-K400 WeakPolarHBondContact O-CB 3.42Å; V396-K400 WeakPolarHBondContact O-CG 3.39Å; V396-K400 PolarHBondContact O-N 3.43Å |
| 397 | A | 98.2 | Very high | 96 | Very high | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R393 N394 E395 K400 Q401 | R393-A397 WeakPolarHBondContact O-CB 3.32Å; R393-A397 PolarHBondContact O-N 3.49Å; N394-A397 WeakPolarHBondContact O-CB 3.49Å; N394-A397 PolarHBondContact O-N 2.97Å; E395-A397 VanDerWaalsContact C-N 3.26Å; E395-A397 PolarHBondContact O-N 3.25Å; A397-K400 PolarHBondContact O-N 2.94Å; A397-Q401 WeakPolarHBondContact O-CB 3.33Å; A397-Q401 PolarHBondContact O-N 2.67Å |
| 398 | Q | 98.1 | Very high | 95.1 | Very high | 144 Ų | 144 | 105.3 Ų | 105.3 | 67% | 0.673 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 177 | -174.3 | -179.9 | 8.4 | 0 | 0 | 112 | N394 E395 Q401 L402 | N394-Q398 WeakPolarHBondContact O-CB 3.39Å; N394-Q398 PolarHBondContact O-N 3.32Å; E395-Q398 PolarHBondContact O-N 3.19Å; E395-Q398 VanDerWaalsContact O-N 3.14Å; Q398-Q401 PolarHBondContact O-N 3.43Å; Q398-L402 PolarHBondContact O-N 2.74Å |
| 399 | L | 97.9 | Very high | 94.5 | Very high | 90 Ų | 90 | 101.9 Ų | 101.9 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 176.4 | -68.8 | 172.6 | 0 | 0 | 0 | 111.6 | E395 L402 L403 | E395-L399 HydrophobicContact CG-CD1 4.04Å; E395-L399 HydrophobicContact CG-CG 4.43Å; E395-L399 WeakPolarHBondContact O-CB 3.29Å; E395-L399 WeakPolarHBondContact O-CG 3.45Å; E395-L399 PolarHBondContact O-N 3.26Å; L399-L402 PolarHBondContact O-N 3.45Å; L399-L403 VanDerWaalsContact O-CG 3.32Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 3.11Å |
| 400 | K | 96.2 | Very high | 93.4 | Very high | 128 Ų | 128 | 103.7 Ų | 103.7 | 56% | 0.557 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 172.3 | -77.1 | 173.1 | -179.7 | -180 | 0 | 111.9 | V396 A397 L402 L403 L404 | V396-K400 HydrophobicContact CG1-CD 4.11Å; V396-K400 WeakPolarHBondContact O-CB 3.42Å; V396-K400 WeakPolarHBondContact O-CG 3.39Å; V396-K400 PolarHBondContact O-N 3.43Å; A397-K400 PolarHBondContact O-N 2.94Å; K400-L402 VanDerWaalsContact C-N 3.35Å; K400-L402 PolarHBondContact O-N 3.48Å; K400-L403 PolarHBondContact O-N 2.92Å; K400-L404 VanDerWaalsContact O-CD1 3.23Å; K400-L404 WeakPolarHBondContact O-CD1 3.35Å; K400-L404 PolarHBondContact O-N 3.45Å |
| 401 | Q | 96.8 | Very high | 92.3 | Very high | 129 Ų | 129 | 104.8 Ų | 104.8 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | 177.8 | -176 | 60.6 | 23.9 | 0 | 0 | 111.9 | A397 Q398 L404 A405 | A397-Q401 WeakPolarHBondContact O-CB 3.33Å; A397-Q401 PolarHBondContact O-N 2.67Å; Q398-Q401 PolarHBondContact O-N 3.43Å; Q401-L404 PolarHBondContact O-N 3.26Å; Q401-A405 WeakPolarHBondContact O-CB 3.37Å; Q401-A405 PolarHBondContact O-N 2.9Å |
| 402 | L | 95.4 | Very high | 91 | Very high | 98 Ų | 98 | 101.6 Ų | 101.6 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.3 | -175.2 | 63.3 | 0 | 0 | 0 | 111.7 | Q398 L399 K400 L404 A405 H406 | Q398-L402 PolarHBondContact O-N 2.74Å; L399-L402 PolarHBondContact O-N 3.45Å; K400-L402 VanDerWaalsContact C-N 3.35Å; K400-L402 PolarHBondContact O-N 3.48Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L402-L404 PolarHBondContact O-N 2.84Å; L402-A405 PolarHBondContact O-N 3.36Å; L402-H406 PolarHBondContact O-CD2 3.34Å; L402-H406 PolarHBondContact O-N 3.48Å |
| 403 | L | 92.5 | Very high | 89.6 | Confident | 126 Ų | 126 | 100.1 Ų | 100.1 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.5 | -37.4 | 174.7 | -71.3 | 169.7 | 0 | 0 | 0 | 112.5 | L399 K400 H406 K407 | L399-L403 VanDerWaalsContact O-CG 3.32Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 3.11Å; K400-L403 PolarHBondContact O-N 2.92Å; L403-H406 PolarHBondContact O-N 3.33Å; L403-K407 PolarHBondContact O-N 2.9Å |
| 404 | L | 92.8 | Very high | 88.3 | Confident | 117 Ų | 117 | 97.4 Ų | 97.4 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.4 | -41.7 | 172.3 | -96.3 | 77.1 | 0 | 0 | 0 | 111.9 | K400 Q401 L402 H406 K407 | K400-L404 VanDerWaalsContact O-CD1 3.23Å; K400-L404 WeakPolarHBondContact O-CD1 3.35Å; K400-L404 PolarHBondContact O-N 3.45Å; Q401-L404 PolarHBondContact O-N 3.26Å; L402-L404 VanDerWaalsContact C-N 3.34Å; L402-L404 PolarHBondContact O-N 2.84Å; L404-H406 VanDerWaalsContact C-N 3.27Å; L404-H406 PolarHBondContact O-N 3.41Å; L404-K407 VanDerWaalsContact O-CB 3.23Å; L404-K407 WeakPolarHBondContact O-CB 3.46Å; L404-K407 PolarHBondContact O-N 3.49Å |
| 405 | A | 91.3 | Very high | 87 | Confident | 75 Ų | 75 | 98.6 Ų | 98.6 | 62% | 0.62 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -33.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q401 L402 | Q401-A405 WeakPolarHBondContact O-CB 3.37Å; Q401-A405 PolarHBondContact O-N 2.9Å; L402-A405 PolarHBondContact O-N 3.36Å |
| 406 | H | 87.2 | Confident | 85.8 | Confident | 101 Ų | 101 | 101.3 Ų | 101.3 | 47% | 0.468 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 1.4 | 176.3 | -75.3 | -77 | 0 | 0 | 0 | 114.9 | L402 L403 L404 D408 C409 | L402-H406 PolarHBondContact O-CD2 3.34Å; L402-H406 PolarHBondContact O-N 3.48Å; L403-H406 PolarHBondContact O-N 3.33Å; L404-H406 VanDerWaalsContact C-N 3.27Å; L404-H406 PolarHBondContact O-N 3.41Å; H406-D408 PolarHBondContact O-N 3.23Å; H406-D408 VanDerWaalsContact O-N 3.11Å; H406-C409 HydrophobicContact CB-CB 4.39Å; H406-C409 WeakPolarHBondContact O-CB 3.3Å; H406-C409 PolarHBondContact O-N 2.87Å |
| 407 | K | 83.5 | Confident | 84.4 | Confident | 136 Ų | 136 | 106.1 Ų | 106.1 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | -36.7 | -173.1 | -159.6 | -147.3 | 90.4 | -135.1 | 0 | 113.9 | L403 L404 | L403-K407 PolarHBondContact O-N 2.9Å; L404-K407 VanDerWaalsContact O-CB 3.23Å; L404-K407 WeakPolarHBondContact O-CB 3.46Å; L404-K407 PolarHBondContact O-N 3.49Å |
| 408 | D | 80.8 | Confident | 83 | Confident | 121 Ų | 121 | 108.5 Ų | 108.5 | 65% | 0.647 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 21.6 | -178.5 | -53 | -66.4 | 0 | 0 | 0 | 112.5 | H406 | H406-D408 PolarHBondContact O-N 3.23Å; H406-D408 VanDerWaalsContact O-N 3.11Å |
| 409 | C | 84.2 | Confident | 81.2 | Confident | 30 Ų | 30 | 109 Ų | 109 | 20% | 0.203 | 57% | 0.57 | C | S | . | * | trans | -60.7 | 133.3 | 179 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | H406 V411 T412 A413 | H406-C409 HydrophobicContact CB-CB 4.39Å; H406-C409 WeakPolarHBondContact O-CB 3.3Å; H406-C409 PolarHBondContact O-N 2.87Å; C409-V411 PolarHBondContact O-N 2.94Å; C409-T412 PolarHBondContact O-N 2.87Å; C409-A413 PolarHBondContact O-N 3Å | ||
| 410 | P | 75.6 | Confident | 79.1 | Confident | 106 Ų | 106 | 107.1 Ų | 107.1 | 69% | 0.688 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.3 | -29.6 | -176.3 | 22.3 | -33.7 | 0 | 0 | 0 | 113.6 | L414 | P410-L414 VanDerWaalsContact O-CB 3.27Å; P410-L414 WeakPolarHBondContact O-CB 3.48Å; P410-L414 PolarHBondContact O-N 3.38Å |
| 411 | V | 76.1 | Confident | 77 | Confident | 91 Ų | 91 | 111.2 Ų | 111.2 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.4 | -45.1 | 174.3 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | C409 L414 Q415 | C409-V411 PolarHBondContact O-N 2.94Å; V411-L414 PolarHBondContact O-N 2.85Å; V411-Q415 WeakPolarHBondContact O-CG 3.46Å; V411-Q415 PolarHBondContact O-N 3.37Å |
| 412 | T | 72.9 | Confident | 74.8 | Confident | 54 Ų | 54 | 113 Ų | 113 | 33% | 0.331 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69 | -37.4 | 178.6 | -48.1 | 0 | 0 | 0 | 0 | 111.8 | C409 K416 | C409-T412 PolarHBondContact O-N 2.87Å; T412-K416 PolarHBondContact O-N 2.8Å |
| 413 | A | 69.4 | Low | 72.6 | Confident | 55 Ų | 55 | 116.8 Ų | 116.8 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.4 | -41.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C409 K416 K417 | C409-A413 PolarHBondContact O-N 3Å; A413-K416 PolarHBondContact O-N 3.21Å; A413-K417 WeakPolarHBondContact O-CB 3.33Å; A413-K417 PolarHBondContact O-N 3.46Å |
| 414 | L | 69.1 | Low | 69.9 | Low | 115 Ų | 115 | 116 Ų | 116 | 60% | 0.602 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.7 | -43.1 | 176.2 | -171 | 65 | 0 | 0 | 0 | 111.7 | P410 V411 K416 K417 T418 | P410-L414 VanDerWaalsContact O-CB 3.27Å; P410-L414 WeakPolarHBondContact O-CB 3.48Å; P410-L414 PolarHBondContact O-N 3.38Å; V411-L414 PolarHBondContact O-N 2.85Å; L414-K416 PolarHBondContact O-N 3.49Å; L414-K417 PolarHBondContact O-N 3.2Å; L414-K417 VanDerWaalsContact O-N 3.15Å; L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 PolarHBondContact O-OG1 3.37Å; L414-T418 VanDerWaalsContact O-OG1 3.14Å |
| 415 | Q | 72.7 | Confident | 67.9 | Low | 123 Ų | 123 | 116 Ų | 116 | 58% | 0.575 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.6 | -47 | 173.5 | -78.5 | 178.9 | -36.3 | 0 | 0 | 112.1 | V411 K417 T418 Q419 | V411-Q415 WeakPolarHBondContact O-CG 3.46Å; V411-Q415 PolarHBondContact O-N 3.37Å; Q415-K417 VanDerWaalsContact C-N 3.3Å; Q415-K417 PolarHBondContact O-N 2.93Å; Q415-T418 PolarHBondContact O-N 3.15Å; Q415-Q419 WeakPolarHBondContact O-CB 3.43Å; Q415-Q419 PolarHBondContact O-N 3.25Å |
| 416 | K | 72.6 | Confident | 65.3 | Low | 160 Ų | 160 | 122.5 Ų | 122.5 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -57.9 | -40.8 | 173.3 | -87.1 | -174.1 | 171 | -179 | 0 | 112.5 | T412 A413 L414 Q419 G420 | T412-K416 PolarHBondContact O-N 2.8Å; A413-K416 PolarHBondContact O-N 3.21Å; L414-K416 PolarHBondContact O-N 3.49Å; K416-Q419 PolarHBondContact O-N 2.94Å; K416-G420 PolarHBondContact O-N 3.05Å |
| 417 | K | 69.3 | Low | 63 | Low | 174 Ų | 174 | 126.1 Ų | 126.1 | 76% | 0.757 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67 | -36.3 | 178.2 | -170.8 | 171.8 | -178.6 | 177.5 | 0 | 112.7 | A413 L414 Q415 | A413-K417 WeakPolarHBondContact O-CB 3.33Å; A413-K417 PolarHBondContact O-N 3.46Å; L414-K417 PolarHBondContact O-N 3.2Å; L414-K417 VanDerWaalsContact O-N 3.15Å; Q415-K417 VanDerWaalsContact C-N 3.3Å; Q415-K417 PolarHBondContact O-N 2.93Å |
| 418 | T | 68.6 | Low | 61 | Low | 105 Ų | 105 | 125.1 Ų | 125.1 | 64% | 0.644 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.4 | -41.8 | 174.3 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | L414 Q415 | L414-T418 PolarHBondContact O-N 3.42Å; L414-T418 PolarHBondContact O-OG1 3.37Å; L414-T418 VanDerWaalsContact O-OG1 3.14Å; Q415-T418 PolarHBondContact O-N 3.15Å |
| 419 | Q | 59.5 | Low | 58.9 | Low | 155 Ų | 155 | 124.9 Ų | 124.9 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77 | -34.9 | -175.8 | -164.7 | 163.2 | 1.4 | 0 | 0 | 112.7 | Q415 K416 Y421 L422 | Q415-Q419 WeakPolarHBondContact O-CB 3.43Å; Q415-Q419 PolarHBondContact O-N 3.25Å; K416-Q419 PolarHBondContact O-N 2.94Å; Q419-Y421 PolarHBondContact O-N 2.75Å; Q419-Y421 VanDerWaalsContact O-N 3.1Å; Q419-L422 PolarHBondContact O-N 2.91Å |
| 420 | G | 54.5 | Low | 56.8 | Low | 50 Ų | 50 | 132.4 Ų | 132.4 | 52% | 0.515 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | -3.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K416 L422 | K416-G420 PolarHBondContact O-N 3.05Å; G420-L422 VanDerWaalsContact C-N 3.28Å |
| 421 | Y | 51.6 | Low | 55.3 | Low | 215 Ų | 215 | 132.6 Ų | 132.6 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -12.4 | 171.8 | -164.9 | -100.5 | 0 | 0 | 0 | 113 | Q419 | Q419-Y421 PolarHBondContact O-N 2.75Å; Q419-Y421 VanDerWaalsContact O-N 3.1Å |
| 422 | L | 51.9 | Low | 53.3 | Low | 166 Ų | 166 | 134.8 Ų | 134.8 | 87% | 0.869 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -97.8 | -7.5 | 179.8 | -122.8 | 171.7 | 0 | 0 | 0 | 113.9 | Q419 G420 | Q419-L422 PolarHBondContact O-N 2.91Å; G420-L422 VanDerWaalsContact C-N 3.28Å |
| 423 | E | 48 | Very low | 51.5 | Low | 178 Ų | 178 | 135.3 Ų | 135.3 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | -126.4 | 79.2 | -171.9 | -150.3 | 166.7 | -162.8 | 0 | 0 | 110.3 | ||||
| 424 | S | 37 | Very low | 50.1 | Low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | -110 | 142.3 | 178.1 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 425 | P | 50.6 | Low | 49.5 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | -75.8 | 147.7 | -161.6 | -16.7 | 32.2 | 0 | 0 | 0 | 114.7 | ||||
| 426 | K | 36 | Very low | 47.6 | Very low | 211 Ų | 211 | 136.8 Ų | 136.8 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | trans | -119 | 118.6 | 152.3 | -88.6 | -173.3 | 171.7 | -178.1 | 0 | 108.9 | ||||
| 427 | E | 39.9 | Very low | 46.6 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -80.9 | 164.4 | 171.8 | -68 | -169.2 | 105 | 0 | 0 | 112.3 | ||||
| 428 | S | 40.3 | Very low | 45 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 55 | 103 | 155.1 | 64.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 429 | S | 36.6 | Very low | 43.4 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | -169.8 | 121 | 115.5 | 50 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 430 | E | 39.7 | Very low | 42.3 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -74.1 | 151.6 | 144.8 | -70.9 | -165.3 | 99.4 | 0 | 0 | 108 | ||||
| 431 | P | 46 | Very low | 41.3 | Very low | 109 Ų | 109 | 141.8 Ų | 141.8 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | -148.4 | 151.2 | 96.7 | 37.1 | -21.2 | 0 | 0 | 0 | 116.1 | |||||
| 432 | T | 33.7 | Very low | 40.9 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | 58.6 | 129.9 | 144.4 | -56.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 433 | G | 35.4 | Very low | 40.2 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -108 | -170.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 434 | S | 39.8 | Very low | 39.8 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 81.9 | 146 | 175.3 | -138.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 435 | P | 56 | Low | 39.7 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | cis | -139.2 | 155 | -43.8 | 35.8 | -20.8 | 0 | 0 | 0 | 115.8 | ||||
| 436 | A | 32 | Very low | 38.9 | Very low | 94 Ų | 94 | 129.7 Ų | 129.7 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | 65.4 | 175.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 437 | P | 53.2 | Low | 39.4 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -128.1 | 134.2 | -27.3 | 26.1 | -7 | 0 | 0 | 0 | 113.5 | ||||
| 438 | V | 34.3 | Very low | 39.8 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | trans | -135.7 | 103.5 | 161.4 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 439 | I | 36 | Very low | 40.1 | Very low | 135 Ų | 135 | 125 Ų | 125 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | 47.4 | 118.9 | 146.6 | -55.8 | 176.2 | 0 | 0 | 0 | 118.8 | ||||
| 440 | Q | 36 | Very low | 40.4 | Very low | 178 Ų | 178 | 122 Ų | 122 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -80.4 | 137.2 | 174.3 | -57.9 | 165.7 | -67.8 | 0 | 0 | 112.6 | ||||
| 441 | H | 34 | Very low | 40.9 | Very low | 178 Ų | 178 | 119.8 Ų | 119.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -129.7 | 88.1 | 155.1 | -59.8 | -38.8 | 0 | 0 | 0 | 109.4 | ||||
| 442 | S | 42.1 | Very low | 41.1 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | -128.8 | 155.2 | 172 | -45 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 443 | S | 38.8 | Very low | 42 | Very low | 116 Ų | 116 | 118 Ų | 118 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | cis | -147.2 | -166.6 | 18.3 | -52.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 444 | A | 37.7 | Very low | 43 | Very low | 79 Ų | 79 | 124.6 Ų | 124.6 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | cis | -157.4 | 129.2 | 6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 445 | T | 36.3 | Very low | 43.9 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | 66.1 | 117.8 | 97.3 | 67.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 446 | A | 34.3 | Very low | 43.9 | Very low | 94 Ų | 94 | 120 Ų | 120 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | trans | -146.2 | 154.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 447 | P | 45.6 | Very low | 45.4 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 81% | 0.805 | 72% | 0.719 | S | S | * | * | trans | -91.7 | 158.1 | -150.8 | 34.3 | -37.6 | 0 | 0 | 0 | 117.3 | ||||
| 448 | T | 47.9 | Very low | 45.8 | Very low | 122 Ų | 122 | 119.4 Ų | 119.4 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -112.9 | 95.7 | -173.7 | 40 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 449 | N | 46 | Very low | 47.1 | Very low | 159 Ų | 159 | 115.5 Ų | 115.5 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | trans | -105 | 7.7 | 174.7 | -83.5 | -7.7 | 0 | 0 | 0 | 115 | ||||
| 450 | G | 44.5 | Very low | 48.7 | Very low | 51 Ų | 51 | 113.8 Ų | 113.8 | 53% | 0.526 | 69% | 0.691 | S | S | . | * | trans | -88.5 | -12.5 | -168.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 451 | L | 48.6 | Very low | 50.1 | Low | 144 Ų | 144 | 108.2 Ų | 108.2 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -80.7 | -33.2 | -162 | -62.1 | 179.1 | 0 | 0 | 0 | 114.9 | ||
| 452 | S | 51.6 | Low | 51.6 | Low | 98 Ų | 98 | 104 Ų | 104 | 69% | 0.685 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.4 | -39.1 | -175.8 | -178.5 | 0 | 0 | 0 | 0 | 113.1 | R454 S455 A456 | S452-R454 PolarHBondContact O-N 2.94Å; S452-S455 PolarHBondContact O-N 3.38Å; S452-A456 PolarHBondContact O-N 2.91Å; S452-A456 VanDerWaalsContact O-N 3.1Å |
| 453 | V | 52.8 | Low | 52.8 | Low | 110 Ų | 110 | 102.5 Ų | 102.5 | 67% | 0.667 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.3 | -36.9 | -175 | -175 | 0 | 0 | 0 | 0 | 112.2 | A457 | V453-A457 WeakPolarHBondContact O-CB 3.44Å; V453-A457 PolarHBondContact O-N 2.87Å |
| 454 | R | 56.1 | Low | 54.4 | Low | 205 Ų | 205 | 100.7 Ų | 100.7 | 77% | 0.774 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.8 | -48.1 | 176 | -104.3 | -177.5 | 170.9 | 176.2 | -3.4 | 111.9 | S452 A456 A457 E458 | S452-R454 PolarHBondContact O-N 2.94Å; R454-A456 PolarHBondContact O-N 3.42Å; R454-A457 PolarHBondContact O-N 2.85Å; R454-E458 PolarHBondContact O-N 3.12Å |
| 455 | S | 57.4 | Low | 55.8 | Low | 78 Ų | 78 | 103.3 Ų | 103.3 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.2 | -39 | -179.8 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | S452 E458 A459 | S452-S455 PolarHBondContact O-N 3.38Å; S455-E458 PolarHBondContact O-N 3.22Å; S455-A459 WeakPolarHBondContact O-CB 3.27Å; S455-A459 PolarHBondContact O-N 3.28Å |
| 456 | A | 57.6 | Low | 57.4 | Low | 56 Ų | 56 | 100.9 Ų | 100.9 | 46% | 0.463 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63 | -41.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S452 R454 A459 V460 | S452-A456 PolarHBondContact O-N 2.91Å; S452-A456 VanDerWaalsContact O-N 3.1Å; R454-A456 PolarHBondContact O-N 3.42Å; A456-A459 PolarHBondContact O-N 2.87Å; A456-V460 WeakPolarHBondContact O-CG2 3.29Å; A456-V460 PolarHBondContact O-N 3.31Å; A456-V460 VanDerWaalsContact O-N 3.11Å |
| 457 | A | 63.5 | Low | 58.8 | Low | 62 Ų | 62 | 102.6 Ų | 102.6 | 51% | 0.512 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.7 | -38.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V453 R454 A461 | V453-A457 WeakPolarHBondContact O-CB 3.44Å; V453-A457 PolarHBondContact O-N 2.87Å; R454-A457 PolarHBondContact O-N 2.85Å; A457-A461 WeakPolarHBondContact O-CB 3.47Å; A457-A461 PolarHBondContact O-N 3.15Å; A457-A461 VanDerWaalsContact O-N 3.13Å |
| 458 | E | 61.2 | Low | 59.8 | Low | 137 Ų | 137 | 102.7 Ų | 102.7 | 64% | 0.64 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.1 | -41.3 | 174.5 | -71.3 | -176.4 | 123.3 | 0 | 0 | 112.1 | R454 S455 V460 A461 T462 | R454-E458 PolarHBondContact O-N 3.12Å; S455-E458 PolarHBondContact O-N 3.22Å; E458-V460 PolarHBondContact O-N 3.13Å; E458-A461 PolarHBondContact O-N 3.14Å; E458-T462 PolarHBondContact O-N 2.82Å; E458-T462 PolarHBondContact O-OG1 3.22Å |
| 459 | A | 61.4 | Low | 60.3 | Low | 56 Ų | 56 | 99.6 Ų | 99.6 | 46% | 0.463 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.3 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S455 A456 T462 S463 | S455-A459 WeakPolarHBondContact O-CB 3.27Å; S455-A459 PolarHBondContact O-N 3.28Å; A456-A459 PolarHBondContact O-N 2.87Å; A459-T462 PolarHBondContact O-OG1 3.49Å; A459-S463 WeakPolarHBondContact O-CB 3.5Å; A459-S463 PolarHBondContact O-N 3.19Å; A459-S463 VanDerWaalsContact O-N 3.14Å |
| 460 | V | 69.1 | Low | 60.8 | Low | 99 Ų | 99 | 95.1 Ų | 95.1 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67 | -42 | 174 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | A456 E458 T462 S463 V464 | A456-V460 WeakPolarHBondContact O-CG2 3.29Å; A456-V460 PolarHBondContact O-N 3.31Å; A456-V460 VanDerWaalsContact O-N 3.11Å; E458-V460 PolarHBondContact O-N 3.13Å; V460-T462 PolarHBondContact O-N 2.98Å; V460-S463 PolarHBondContact O-N 3.26Å; V460-V464 PolarHBondContact O-N 2.74Å; V460-V464 VanDerWaalsContact O-N 3.17Å |
| 461 | A | 65.6 | Low | 61.1 | Low | 62 Ų | 62 | 98.8 Ų | 98.8 | 51% | 0.512 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A457 E458 L465 | A457-A461 WeakPolarHBondContact O-CB 3.47Å; A457-A461 PolarHBondContact O-N 3.15Å; A457-A461 VanDerWaalsContact O-N 3.13Å; E458-A461 PolarHBondContact O-N 3.14Å; A461-L465 PolarHBondContact O-N 3.49Å |
| 462 | T | 66.8 | Low | 61.2 | Low | 88 Ų | 88 | 102.1 Ų | 102.1 | 54% | 0.54 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.8 | -39.9 | 175.5 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | E458 A459 V460 V464 L465 T466 | E458-T462 PolarHBondContact O-N 2.82Å; E458-T462 PolarHBondContact O-OG1 3.22Å; A459-T462 PolarHBondContact O-OG1 3.49Å; V460-T462 PolarHBondContact O-N 2.98Å; T462-V464 VanDerWaalsContact C-N 3.35Å; T462-V464 PolarHBondContact O-N 3.33Å; T462-L465 WeakPolarHBondContact O-CB 3.48Å; T462-L465 PolarHBondContact O-N 3.14Å; T462-L465 VanDerWaalsContact O-N 3.13Å; T462-T466 PolarHBondContact O-N 3Å; T462-T466 PolarHBondContact O-OG1 2.79Å |
| 463 | S | 66.3 | Low | 61 | Low | 72 Ų | 72 | 101.7 Ų | 101.7 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -59.7 | -41.9 | 177.8 | -169.7 | 0 | 0 | 0 | 0 | 112.9 | A459 V460 L465 Q467 | A459-S463 WeakPolarHBondContact O-CB 3.5Å; A459-S463 PolarHBondContact O-N 3.19Å; A459-S463 VanDerWaalsContact O-N 3.14Å; V460-S463 PolarHBondContact O-N 3.26Å; S463-L465 VanDerWaalsContact C-N 3.34Å; S463-Q467 PolarHBondContact O-N 3.23Å; S463-Q467 VanDerWaalsContact O-N 3.1Å |
| 464 | V | 72.1 | Confident | 60.7 | Low | 79 Ų | 79 | 104.3 Ų | 104.3 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.5 | -37.6 | 176.3 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | V460 T462 Q467 M468 | V460-V464 PolarHBondContact O-N 2.74Å; V460-V464 VanDerWaalsContact O-N 3.17Å; T462-V464 VanDerWaalsContact C-N 3.35Å; T462-V464 PolarHBondContact O-N 3.33Å; V464-Q467 PolarHBondContact O-N 3.11Å; V464-M468 WeakPolarHBondContact O-CG 3.25Å; V464-M468 PolarHBondContact O-N 2.9Å |
| 465 | L | 67.9 | Low | 60.1 | Low | 133 Ų | 133 | 102.1 Ų | 102.1 | 70% | 0.696 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.2 | -42.3 | 178.4 | -149.3 | 78 | 0 | 0 | 0 | 111.9 | A461 T462 S463 M468 A469 | A461-L465 PolarHBondContact O-N 3.49Å; T462-L465 WeakPolarHBondContact O-CB 3.48Å; T462-L465 PolarHBondContact O-N 3.14Å; T462-L465 VanDerWaalsContact O-N 3.13Å; S463-L465 VanDerWaalsContact C-N 3.34Å; L465-M468 PolarHBondContact O-N 3.31Å; L465-A469 PolarHBondContact O-N 2.94Å; L465-A469 VanDerWaalsContact O-N 3.08Å |
| 466 | T | 69.2 | Low | 59.4 | Low | 89 Ų | 89 | 102.8 Ų | 102.8 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.7 | -42.5 | 174.2 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | T462 M468 A469 S470 | T462-T466 PolarHBondContact O-N 3Å; T462-T466 PolarHBondContact O-OG1 2.79Å; T466-M468 VanDerWaalsContact C-N 3.3Å; T466-M468 PolarHBondContact O-N 3.25Å; T466-A469 WeakPolarHBondContact O-CB 3.29Å; T466-A469 PolarHBondContact O-N 3Å; T466-A469 VanDerWaalsContact O-N 3.09Å; T466-S470 PolarHBondContact O-N 3.39Å; T466-S470 VanDerWaalsContact O-N 3.09Å; T466-S470 PolarHBondContact O-OG 2.83Å |
| 467 | Q | 64.2 | Low | 58.4 | Low | 130 Ų | 130 | 108 Ų | 108 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.6 | -31.4 | 179.1 | -168.4 | 173.4 | 9.6 | 0 | 0 | 113 | S463 V464 Q471 | S463-Q467 PolarHBondContact O-N 3.23Å; S463-Q467 VanDerWaalsContact O-N 3.1Å; V464-Q467 PolarHBondContact O-N 3.11Å; Q467-Q471 PolarHBondContact O-NE2 3.39Å |
| 468 | M | 65.5 | Low | 57.4 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 63% | 0.626 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71 | -36 | 170.2 | -74.3 | -71.1 | -153.3 | 0 | 0 | 112.7 | V464 L465 T466 | V464-M468 WeakPolarHBondContact O-CG 3.25Å; V464-M468 PolarHBondContact O-N 2.9Å; L465-M468 PolarHBondContact O-N 3.31Å; T466-M468 VanDerWaalsContact C-N 3.3Å; T466-M468 PolarHBondContact O-N 3.25Å |
| 469 | A | 58.6 | Low | 56.1 | Low | 56 Ų | 56 | 112.4 Ų | 112.4 | 46% | 0.463 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.3 | -47.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L465 T466 Q471 R472 T473 | L465-A469 PolarHBondContact O-N 2.94Å; L465-A469 VanDerWaalsContact O-N 3.08Å; T466-A469 WeakPolarHBondContact O-CB 3.29Å; T466-A469 PolarHBondContact O-N 3Å; T466-A469 VanDerWaalsContact O-N 3.09Å; A469-Q471 VanDerWaalsContact C-N 3.3Å; A469-Q471 PolarHBondContact O-N 2.72Å; A469-R472 PolarHBondContact O-N 2.67Å; A469-T473 PolarHBondContact O-OG1 3Å |
| 470 | S | 56.6 | Low | 54.7 | Low | 66 Ų | 66 | 117.6 Ų | 117.6 | 46% | 0.462 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -58.4 | -39.5 | -179.7 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | T466 R472 T473 | T466-S470 PolarHBondContact O-N 3.39Å; T466-S470 VanDerWaalsContact O-N 3.09Å; T466-S470 PolarHBondContact O-OG 2.83Å; S470-R472 PolarHBondContact O-N 3.14Å; S470-R472 VanDerWaalsContact O-N 3.14Å; S470-T473 PolarHBondContact O-N 3.04Å |
| 471 | Q | 52.3 | Low | 53.1 | Low | 127 Ų | 127 | 118.3 Ų | 118.3 | 59% | 0.593 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.6 | -17.6 | 177.5 | -75.2 | 172.9 | 90.3 | 0 | 0 | 114 | Q467 A469 | Q467-Q471 PolarHBondContact O-NE2 3.39Å; A469-Q471 VanDerWaalsContact C-N 3.3Å; A469-Q471 PolarHBondContact O-N 2.72Å |
| 472 | R | 49.3 | Very low | 51.5 | Low | 214 Ų | 214 | 123 Ų | 123 | 81% | 0.808 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -90.9 | -13 | 173.5 | -79.6 | -170.8 | 164.5 | -159.3 | -5.2 | 114.1 | A469 S470 | A469-R472 PolarHBondContact O-N 2.67Å; S470-R472 PolarHBondContact O-N 3.14Å; S470-R472 VanDerWaalsContact O-N 3.14Å |
| 473 | T | 48.9 | Very low | 50.3 | Low | 89 Ų | 89 | 125.2 Ų | 125.2 | 55% | 0.546 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -84.2 | -34.7 | -177 | -43 | 0 | 0 | 0 | 0 | 112.3 | A469 S470 L475 S476 | A469-T473 PolarHBondContact O-OG1 3Å; S470-T473 PolarHBondContact O-N 3.04Å; T473-L475 PolarHBondContact O-N 3.36Å; T473-L475 VanDerWaalsContact O-N 3.12Å; T473-S476 PolarHBondContact O-N 2.95Å |
| 474 | E | 45.1 | Very low | 48.8 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 77% | 0.771 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -10.1 | -178.1 | -57.1 | -58.2 | 138 | 0 | 0 | 114.9 | ||
| 475 | L | 44.4 | Very low | 47 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 11 | -176.1 | -72.3 | 171.4 | 0 | 0 | 0 | 114.2 | T473 | T473-L475 PolarHBondContact O-N 3.36Å; T473-L475 VanDerWaalsContact O-N 3.12Å |
| 476 | S | 42.2 | Very low | 45.5 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -134 | 80.7 | -174.4 | -165.5 | 0 | 0 | 0 | 0 | 112.9 | T473 | T473-S476 PolarHBondContact O-N 2.95Š| ||
| 477 | M | 36.5 | Very low | 44.5 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -118.9 | 134.2 | 166.3 | -78.3 | -69.3 | 134.3 | 0 | 0 | 109.9 | ||||
| 478 | P | 42.1 | Very low | 43.2 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 129.2 | -171.9 | 31.7 | -34.3 | 0 | 0 | 0 | 112.6 | ||
| 479 | I | 34.6 | Very low | 41.9 | Very low | 171 Ų | 171 | 137 Ų | 137 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 131 | 169.2 | -63.7 | 175.3 | 0 | 0 | 0 | 109.1 | ||
| 480 | Q | 32.8 | Very low | 41.1 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 132.8 | 179.1 | -68.9 | 178.5 | -50.3 | 0 | 0 | 111.9 | H482 | Q480-H482 PolarHBondContact O-N 2.97Š|
| 481 | S | 34.8 | Very low | 40.5 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -81.3 | 98.3 | 177.9 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 482 | H | 32.2 | Very low | 40 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | trans | -82.1 | 116.5 | 167.7 | -87.2 | -81.3 | 0 | 0 | 0 | 111.3 | Q480 | Q480-H482 PolarHBondContact O-N 2.97Š| ||
| 483 | V | 41 | Very low | 39.9 | Very low | 134 Ų | 134 | 137 Ų | 137 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -81.7 | 126.8 | 168.3 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 484 | I | 35.4 | Very low | 39.6 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -129.3 | 137.1 | 170.2 | -61.6 | -178 | 0 | 0 | 0 | 108.2 | ||||
| 485 | M | 33.3 | Very low | 39.4 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 84% | 0.837 | 82% | 0.821 | S | S | * | * | trans | -80.3 | 156.8 | -175.3 | -70.1 | 171.1 | 58.1 | 0 | 0 | 112.8 | ||||
| 486 | T | 37.4 | Very low | 39.1 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | trans | -69.2 | 159.1 | 171.5 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 487 | P | 46.9 | Very low | 38.9 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 84% | 0.838 | 83% | 0.83 | S | S | * | * | trans | -120.8 | 168.7 | 132.2 | 36.1 | -32 | 0 | 0 | 0 | 113.2 | ||||
| 488 | Q | 38.4 | Very low | 39.1 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -103.7 | 138.3 | -166.7 | 168.5 | -168.4 | 24.1 | 0 | 0 | 111.4 | ||||
| 489 | S | 37.5 | Very low | 38.9 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -166.7 | 99.2 | 152.4 | -86.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 490 | Q | 42.2 | Very low | 39.2 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | 28.8 | 128 | 135.7 | -61 | -169.1 | 85.2 | 0 | 0 | 124.2 | ||||
| 491 | S | 42.9 | Very low | 39.6 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | 92.9 | 158.1 | 124.9 | 77.1 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 492 | A | 41.6 | Very low | 40 | Very low | 105 Ų | 105 | 150 Ų | 150 | 87% | 0.868 | 84% | 0.838 | S | S | * | * | trans | 68.3 | 131.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 493 | G | 47.8 | Very low | 40.7 | Very low | 77 Ų | 77 | 149 Ų | 149 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | cis | 133.8 | 71.2 | -18.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 494 | R | 43.6 | Very low | 40.6 | Very low | 313 Ų | 313 | 150.4 Ų | 150.4 | 100% | 1.181 | 85% | 0.849 | S | S | * | * | trans | -161.4 | 0 | 147.6 | -123 | -179.6 | -178.1 | -75.9 | -1 | 112.5 |
Retrieved 494 of 494 residues in 338.1 ms
(Link to these results)