| 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 | 38.7 | Very low | 67.4 | Low | 243 Ų | 243 | 122.6 Ų | 122.6 | 100% | 1.197 | 63% | 0.63 | S | S | * | * | 0 | 139 | 0 | -74.8 | 155.9 | 162.2 | 0 | 0 | 107.2 | |||||
| 2 | N | 44.1 | Very low | 69 | Low | 138 Ų | 138 | 124.8 Ų | 124.8 | 74% | 0.738 | 64% | 0.644 | S | S | * | * | trans | -80.4 | 141.7 | -166.4 | -70.3 | 17.9 | 0 | 0 | 0 | 112.9 | D4 | N2-D4 HydrophobicContact CB-CB 4.47Å; N2-D4 VanDerWaalsContact CB-OD2 3.28Å; N2-D4 WeakPolarHBondContact CB-OD2 3.41Å; N2-D4 PolarHBondContact ND2-OD2 3.37Å | ||
| 3 | S | 51 | Low | 70.2 | Confident | 123 Ų | 123 | 116.8 Ų | 116.8 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | trans | -102.1 | 35.4 | 169.6 | 45.8 | 0 | 0 | 0 | 0 | 112.2 | Q5 | S3-Q5 PolarHBondContact O-N 3.08Š| ||
| 4 | D | 54.3 | Low | 71.1 | Confident | 132 Ų | 132 | 118.3 Ų | 118.3 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -74.4 | 16.1 | 178 | -68.8 | -52.4 | 0 | 0 | 0 | 113.9 | N2 | N2-D4 HydrophobicContact CB-CB 4.47Å; N2-D4 VanDerWaalsContact CB-OD2 3.28Å; N2-D4 WeakPolarHBondContact CB-OD2 3.41Å; N2-D4 PolarHBondContact ND2-OD2 3.37Å | ||
| 5 | Q | 61.6 | Low | 71.8 | Confident | 182 Ų | 182 | 116.6 Ų | 116.6 | 85% | 0.85 | 65% | 0.65 | S | S | * | * | trans | -128.1 | 64.1 | -166.3 | -63.8 | -168.9 | 14 | 0 | 0 | 113.9 | S3 | S3-Q5 PolarHBondContact O-N 3.08Š| ||
| 6 | E | 65.6 | Low | 72.7 | Confident | 164 Ų | 164 | 111.1 Ų | 111.1 | 77% | 0.766 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -148.5 | 42.2 | 158.7 | -143.2 | 167.5 | -139.6 | 0 | 0 | 112.8 | P21 | E6-P21 WeakPolarHBondContact O-CA 3.4Š|
| 7 | R | 77.1 | Confident | 73.4 | Confident | 148 Ų | 148 | 110.9 Ų | 110.9 | 56% | 0.558 | 63% | 0.629 | S | S | * | * | trans | -136.9 | 68.1 | 169.8 | -61.9 | -166.2 | -177.9 | -159.8 | 6.8 | 111.9 | F9 R19 F20 P21 | R7-F9 VanDerWaalsContact C-N 3.3Å; R7-F9 PolarHBondContact O-N 3.17Å; R7-R19 HydrophobicContact CB-CB 3.89Å; R7-R19 WeakPolarHBondContact CD-O 3.47Å; R7-R19 PolarHBondContact NH1-O 2.69Å; R7-R19 VanDerWaalsContact NH1-O 3.1Å; R7-F20 CarbonylContact C-O 3.56Å; R7-F20 VanDerWaalsContact CA-O 3.27Å; R7-F20 WeakPolarHBondContact CA-O 3.26Å; R7-P21 HydrophobicContact CG-CG 4.15Å | ||
| 8 | P | 83.6 | Confident | 74.2 | Confident | 89 Ų | 89 | 110.3 Ų | 110.3 | 58% | 0.578 | 62% | 0.621 | S | S | * | * | trans | -72.8 | -23.1 | -176.5 | 29.9 | -33.7 | 0 | 0 | 0 | 112.8 | V10 | P8-V10 PolarHBondContact O-N 3.33Š| ||
| 9 | F | 86.7 | Confident | 75 | Confident | 68 Ų | 68 | 112.4 Ų | 112.4 | 30% | 0.298 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 115.4 | -175.7 | -55.1 | -75.5 | 0 | 0 | 0 | 111 | R7 R19 F20 P21 T22 E23 L26 | R7-F9 VanDerWaalsContact C-N 3.3Å; R7-F9 PolarHBondContact O-N 3.17Å; F9-R19 CarbonylContact O-C 3.58Å; F9-R19 VanDerWaalsContact O-CA 3.32Å; F9-R19 WeakPolarHBondContact O-CA 3.39Å; F9-F20 HydrophobicContact CB-CB 4.39Å; F9-F20 PolarHBondContact N-O 3.04Å; F9-F20 PolarHBondContact O-N 3.5Å; F9-P21 WeakPolarHBondContact CD2-O 3.17Å; F9-P21 WeakPolarHBondContact CE2-O 3.44Å; F9-T22 VanDerWaalsContact CD2-CA 3.43Å; F9-E23 HydrophobicContact CD1-CB 3.98Å; F9-E23 WeakPolarHBondContact CD1-OE2 3.49Å; F9-E23 HydrophobicContact CE1-CB 3.86Å; F9-E23 HydrophobicContact CG-CB 4.48Å; F9-E23 HydrophobicContact CZ-CB 4.28Å; F9-L26 HydrophobicContact CB-CB 4.14Å; F9-L26 HydrophobicContact CB-CD2 3.87Å |
| 10 | V | 88.3 | Confident | 75.8 | Confident | 53 Ų | 53 | 108.1 Ų | 108.1 | 32% | 0.321 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.1 | -175.2 | -100.9 | 0 | 0 | 0 | 0 | 111.8 | P8 N12 R19 L26 | P8-V10 PolarHBondContact O-N 3.33Å; V10-N12 PolarHBondContact O-N 3.5Å; V10-R19 HydrophobicContact CG1-CG 3.68Å; V10-L26 WeakPolarHBondContact O-CD2 3.13Å |
| 11 | C | 90.7 | Very high | 76.4 | Confident | 9 Ų | 9 | 105.9 Ų | 105.9 | 6% | 0.061 | 58% | 0.584 | C | S | . | * | trans | -79.9 | 118.1 | 169.7 | -168.3 | 0 | 0 | 0 | 0 | 111.3 | A13 C16 Q18 L26 H29 | C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 2.94Å; C11-C16 HydrophobicContact CB-CB 4.45Å; C11-Q18 PolarHBondContact N-O 3.06Å; C11-L26 HydrophobicContact CB-CD1 3.84Å; C11-H29 VanDerWaalsContact SG-CD2 3.57Å | ||
| 12 | N | 86.1 | Confident | 78.8 | Confident | 148 Ų | 148 | 97.1 Ų | 97.1 | 79% | 0.791 | 54% | 0.544 | S | S | * | . | trans | -92.3 | 18 | 179.9 | -62.3 | -16.5 | 0 | 0 | 0 | 113.3 | V10 | V10-N12 PolarHBondContact O-N 3.5Š| ||
| 13 | A | 85 | Confident | 80.9 | Confident | 22 Ų | 22 | 94.2 Ų | 94.2 | 18% | 0.182 | 53% | 0.526 | C | S | . | . | S | Bend | trans | -73.6 | 135.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | C11 G15 C16 | C11-A13 VanDerWaalsContact C-N 3.33Å; C11-A13 PolarHBondContact O-N 2.94Å; A13-G15 PolarHBondContact O-N 3.49Å; A13-C16 HydrophobicContact CB-CB 4Å; A13-C16 WeakPolarHBondContact O-CB 3.34Å; A13-C16 PolarHBondContact O-N 3.14Å |
| 14 | P | 83.2 | Confident | 82.7 | Confident | 137 Ų | 137 | 93.3 Ų | 93.3 | 89% | 0.89 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 124.5 | 179.3 | -27.2 | 35.3 | 0 | 0 | 0 | 112.4 | C16 | P14-C16 VanDerWaalsContact C-N 3.32Š|
| 15 | G | 80.8 | Confident | 84.5 | Confident | 93 Ų | 93 | 92.2 Ų | 92.2 | 96% | 0.959 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -0.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A13 | A13-G15 PolarHBondContact O-N 3.49Š|
| 16 | C | 87 | Confident | 85.9 | Confident | 28 Ų | 28 | 84.4 Ų | 84.4 | 19% | 0.189 | 47% | 0.466 | C | S | . | . | trans | -103.6 | 141.5 | 172.4 | -158.4 | 0 | 0 | 0 | 0 | 111.8 | C11 A13 P14 H29 | C11-C16 HydrophobicContact CB-CB 4.45Å; A13-C16 HydrophobicContact CB-CB 4Å; A13-C16 WeakPolarHBondContact O-CB 3.34Å; A13-C16 PolarHBondContact O-N 3.14Å; P14-C16 VanDerWaalsContact C-N 3.32Å; C16-H29 PolarHBondContact SG-NE2 3.13Å | ||
| 17 | S | 84.1 | Confident | 87 | Confident | 108 Ų | 108 | 81.1 Ų | 81.1 | 76% | 0.755 | 45% | 0.451 | S | S | * | . | trans | -132.2 | 13.5 | -180 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 18 | Q | 88.2 | Confident | 87.5 | Confident | 101 Ų | 101 | 79.6 Ų | 79.6 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | trans | -70 | 143 | -176.2 | -64.2 | -162.1 | 10.8 | 0 | 0 | 112.4 | C11 F20 H29 | C11-Q18 PolarHBondContact N-O 3.06Å; Q18-F20 HydrophobicContact CB-CE2 3.77Å; Q18-F20 HydrophobicContact CB-CZ 3.65Å; Q18-H29 VanDerWaalsContact CD-CE1 3.45Å; Q18-H29 PolarHBondContact OE1-CE1 3.17Å; Q18-H29 PolarHBondContact OE1-ND1 2.89Å | ||
| 19 | R | 90 | Very high | 87.8 | Confident | 149 Ų | 149 | 76.5 Ų | 76.5 | 56% | 0.562 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 141.8 | 178.6 | -51.8 | -160.3 | 174.3 | -143.6 | -0.6 | 111.2 | R7 F9 V10 | R7-R19 HydrophobicContact CB-CB 3.89Å; R7-R19 WeakPolarHBondContact CD-O 3.47Å; R7-R19 PolarHBondContact NH1-O 2.69Å; R7-R19 VanDerWaalsContact NH1-O 3.1Å; F9-R19 CarbonylContact O-C 3.58Å; F9-R19 VanDerWaalsContact O-CA 3.32Å; F9-R19 WeakPolarHBondContact O-CA 3.39Å; V10-R19 HydrophobicContact CG1-CG 3.68Å |
| 20 | F | 90.2 | Very high | 87.7 | Confident | 27 Ų | 27 | 81.9 Ų | 81.9 | 12% | 0.118 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147.9 | -172.1 | -59.5 | -77.1 | 0 | 0 | 0 | 112 | R7 F9 Q18 H25 L26 H29 | R7-F20 CarbonylContact C-O 3.56Å; R7-F20 VanDerWaalsContact CA-O 3.27Å; R7-F20 WeakPolarHBondContact CA-O 3.26Å; F9-F20 HydrophobicContact CB-CB 4.39Å; F9-F20 PolarHBondContact N-O 3.04Å; F9-F20 PolarHBondContact O-N 3.5Å; Q18-F20 HydrophobicContact CB-CE2 3.77Å; Q18-F20 HydrophobicContact CB-CZ 3.65Å; F20-H25 HydrophobicContact CB-CB 3.91Å; F20-H25 HydrophobicContact CD1-CB 3.77Å; F20-H25 HydrophobicContact CG-CB 4.02Å; F20-L26 HydrophobicContact CB-CB 4.43Å; F20-L26 HydrophobicContact CD2-CB 3.91Å; F20-L26 HydrophobicContact CD2-CD1 4.01Å; F20-L26 HydrophobicContact CE2-CD1 4.21Å; F20-L26 HydrophobicContact CG-CB 4.41Å; F20-H29 HydrophobicContact CE1-CB 4.27Å; F20-H29 HydrophobicContact CE2-CB 3.82Å; F20-H29 AromaticContact CE2-CD2 3.83Å; F20-H29 AromaticContact CE2-CG 3.68Å; F20-H29 HydrophobicContact CZ-CB 3.59Å; F20-H29 AromaticContact CZ-CD2 3.92Å; F20-H29 AromaticContact CZ-CG 3.38Å; F20-H29 AromaticContact CZ-ND1 3.48Å; F20-H29 WeakPolarHBondContact CZ-ND1 3.4Å |
| 21 | P | 89.3 | Confident | 87.5 | Confident | 62 Ų | 62 | 84 Ų | 84 | 40% | 0.403 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -70.7 | -27.5 | 175.7 | -17.9 | 31.6 | 0 | 0 | 0 | 114.1 | E6 R7 F9 | E6-P21 WeakPolarHBondContact O-CA 3.4Å; R7-P21 HydrophobicContact CG-CG 4.15Å; F9-P21 WeakPolarHBondContact CD2-O 3.17Å; F9-P21 WeakPolarHBondContact CE2-O 3.44Å |
| 22 | T | 87.3 | Confident | 87.1 | Confident | 58 Ų | 58 | 90.3 Ų | 90.3 | 36% | 0.356 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -134.6 | 154 | -179.5 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | F9 D24 H25 L26 | F9-T22 VanDerWaalsContact CD2-CA 3.43Å; T22-D24 VanDerWaalsContact C-N 3.32Å; T22-D24 PolarHBondContact O-N 3.44Å; T22-H25 PolarHBondContact O-N 3.39Å; T22-H25 PolarHBondContact OG1-ND1 3.32Å; T22-L26 PolarHBondContact O-N 3.27Å |
| 23 | E | 88.8 | Confident | 86.9 | Confident | 78 Ų | 78 | 86.6 Ų | 86.6 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 178.1 | -174.6 | 57.6 | -127.9 | 0 | 0 | 112.1 | F9 H25 L26 M27 | F9-E23 HydrophobicContact CD1-CB 3.98Å; F9-E23 WeakPolarHBondContact CD1-OE2 3.49Å; F9-E23 HydrophobicContact CE1-CB 3.86Å; F9-E23 HydrophobicContact CG-CB 4.48Å; F9-E23 HydrophobicContact CZ-CB 4.28Å; E23-H25 VanDerWaalsContact C-N 3.27Å; E23-H25 PolarHBondContact O-N 3.41Å; E23-L26 CarbonylContact O-C 3.48Å; E23-L26 WeakPolarHBondContact O-CA 3.37Å; E23-L26 WeakPolarHBondContact O-CB 3.23Å; E23-L26 PolarHBondContact O-N 3.34Å; E23-M27 HydrophobicContact CG-CE 4.28Å; E23-M27 HydrophobicContact CG-CG 4.13Å; E23-M27 HydrophobicContact CG-SD 4.41Å; E23-M27 PolarHBondContact O-N 3.05Å |
| 24 | D | 89.6 | Confident | 86.4 | Confident | 103 Ų | 103 | 92.3 Ų | 92.3 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -55.2 | -41.8 | 178.3 | -63.8 | -23.1 | 0 | 0 | 0 | 112.9 | T22 L26 M27 I28 | T22-D24 VanDerWaalsContact C-N 3.32Å; T22-D24 PolarHBondContact O-N 3.44Å; D24-L26 VanDerWaalsContact C-N 3.33Å; D24-L26 PolarHBondContact O-N 3.15Å; D24-M27 PolarHBondContact O-N 3.18Å; D24-M27 VanDerWaalsContact OD1-CE 3.32Å; D24-M27 WeakPolarHBondContact OD1-CE 3.22Å; D24-I28 WeakPolarHBondContact O-CB 3.07Å; D24-I28 WeakPolarHBondContact O-CD1 3.42Å; D24-I28 VanDerWaalsContact O-CG1 3.25Å; D24-I28 WeakPolarHBondContact O-CG1 3.36Å; D24-I28 PolarHBondContact O-N 3.28Å |
| 25 | H | 91.1 | Very high | 85.4 | Confident | 109 Ų | 109 | 92.3 Ų | 92.3 | 51% | 0.505 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68 | -33.7 | 176.2 | -70.1 | 107.1 | 0 | 0 | 0 | 112 | F20 T22 E23 H29 | F20-H25 HydrophobicContact CB-CB 3.91Å; F20-H25 HydrophobicContact CD1-CB 3.77Å; F20-H25 HydrophobicContact CG-CB 4.02Å; T22-H25 PolarHBondContact O-N 3.39Å; T22-H25 PolarHBondContact OG1-ND1 3.32Å; E23-H25 VanDerWaalsContact C-N 3.27Å; E23-H25 PolarHBondContact O-N 3.41Å; H25-H29 WeakPolarHBondContact O-CB 3.44Å; H25-H29 PolarHBondContact O-N 3.18Å |
| 26 | L | 90.8 | Very high | 84.6 | Confident | 19 Ų | 19 | 92.2 Ų | 92.2 | 10% | 0.099 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -68.7 | -42.4 | 172.2 | 173.5 | 58.4 | 0 | 0 | 0 | 111.6 | F9 V10 C11 F20 T22 E23 D24 H29 R30 | F9-L26 HydrophobicContact CB-CB 4.14Å; F9-L26 HydrophobicContact CB-CD2 3.87Å; V10-L26 WeakPolarHBondContact O-CD2 3.13Å; C11-L26 HydrophobicContact CB-CD1 3.84Å; F20-L26 HydrophobicContact CB-CB 4.43Å; F20-L26 HydrophobicContact CD2-CB 3.91Å; F20-L26 HydrophobicContact CD2-CD1 4.01Å; F20-L26 HydrophobicContact CE2-CD1 4.21Å; F20-L26 HydrophobicContact CG-CB 4.41Å; T22-L26 PolarHBondContact O-N 3.27Å; E23-L26 CarbonylContact O-C 3.48Å; E23-L26 WeakPolarHBondContact O-CA 3.37Å; E23-L26 WeakPolarHBondContact O-CB 3.23Å; E23-L26 PolarHBondContact O-N 3.34Å; D24-L26 VanDerWaalsContact C-N 3.33Å; D24-L26 PolarHBondContact O-N 3.15Å; L26-H29 CarbonylContact O-C 3.48Å; L26-H29 PolarHBondContact O-N 3.03Å; L26-R30 VanDerWaalsContact O-CB 3.31Å; L26-R30 WeakPolarHBondContact O-CB 3.45Å; L26-R30 PolarHBondContact O-N 3.26Å |
| 27 | M | 88.6 | Confident | 82.8 | Confident | 95 Ų | 95 | 96.7 Ų | 96.7 | 47% | 0.468 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63 | -47.7 | 177 | -69.9 | -166 | -70.5 | 0 | 0 | 111.8 | E23 D24 H29 R30 H31 | E23-M27 HydrophobicContact CG-CE 4.28Å; E23-M27 HydrophobicContact CG-CG 4.13Å; E23-M27 HydrophobicContact CG-SD 4.41Å; E23-M27 PolarHBondContact O-N 3.05Å; D24-M27 PolarHBondContact O-N 3.18Å; D24-M27 VanDerWaalsContact OD1-CE 3.32Å; D24-M27 WeakPolarHBondContact OD1-CE 3.22Å; M27-H29 VanDerWaalsContact C-N 3.28Å; M27-H29 PolarHBondContact O-N 2.95Å; M27-R30 PolarHBondContact O-N 3.36Å; M27-H31 PolarHBondContact O-N 2.69Å |
| 28 | I | 87.6 | Confident | 81.3 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 60% | 0.595 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -59.5 | -41.6 | 174.8 | -66.6 | 163.5 | 0 | 0 | 0 | 110.5 | D24 H31 K32 | D24-I28 WeakPolarHBondContact O-CB 3.07Å; D24-I28 WeakPolarHBondContact O-CD1 3.42Å; D24-I28 VanDerWaalsContact O-CG1 3.25Å; D24-I28 WeakPolarHBondContact O-CG1 3.36Å; D24-I28 PolarHBondContact O-N 3.28Å; I28-H31 PolarHBondContact O-N 3.01Å; I28-K32 PolarHBondContact O-N 2.95Å |
| 29 | H | 89.6 | Confident | 79.3 | Confident | 23 Ų | 23 | 104.2 Ų | 104.2 | 11% | 0.106 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 176 | -179.4 | 89.6 | 0 | 0 | 0 | 112.8 | C11 C16 Q18 F20 H25 L26 M27 H31 K32 H33 | C11-H29 VanDerWaalsContact SG-CD2 3.57Å; C16-H29 PolarHBondContact SG-NE2 3.13Å; Q18-H29 VanDerWaalsContact CD-CE1 3.45Å; Q18-H29 PolarHBondContact OE1-CE1 3.17Å; Q18-H29 PolarHBondContact OE1-ND1 2.89Å; F20-H29 HydrophobicContact CE1-CB 4.27Å; F20-H29 HydrophobicContact CE2-CB 3.82Å; F20-H29 AromaticContact CE2-CD2 3.83Å; F20-H29 AromaticContact CE2-CG 3.68Å; F20-H29 HydrophobicContact CZ-CB 3.59Å; F20-H29 AromaticContact CZ-CD2 3.92Å; F20-H29 AromaticContact CZ-CG 3.38Å; F20-H29 AromaticContact CZ-ND1 3.48Å; F20-H29 WeakPolarHBondContact CZ-ND1 3.4Å; H25-H29 WeakPolarHBondContact O-CB 3.44Å; H25-H29 PolarHBondContact O-N 3.18Å; L26-H29 CarbonylContact O-C 3.48Å; L26-H29 PolarHBondContact O-N 3.03Å; M27-H29 VanDerWaalsContact C-N 3.28Å; M27-H29 PolarHBondContact O-N 2.95Å; H29-H31 VanDerWaalsContact C-N 3.34Å; H29-H31 PolarHBondContact O-N 3.35Å; H29-K32 WeakPolarHBondContact O-CB 3.25Å; H29-K32 PolarHBondContact O-N 3.07Å; H29-K32 VanDerWaalsContact O-N 3.14Å; H29-H33 AromaticContact CD2-CD2 3.78Å; H29-H33 AromaticContact CD2-NE2 3.49Å; H29-H33 PolarHBondContact CD2-NE2 3.36Å; H29-H33 AromaticContact CE1-NE2 3.81Å; H29-H33 AromaticContact NE2-CD2 3.72Å; H29-H33 AromaticContact NE2-NE2 2.95Å; H29-H33 PolarHBondContact NE2-NE2 2.98Å; H29-H33 PolarHBondContact O-CD2 3.07Å |
| 30 | R | 85.8 | Confident | 76.8 | Confident | 182 Ų | 182 | 102.6 Ų | 102.6 | 69% | 0.687 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.1 | -41.2 | 176 | -177.7 | 177.9 | 175.1 | 179.7 | -2.6 | 111.3 | L26 M27 K32 H33 E34 | L26-R30 VanDerWaalsContact O-CB 3.31Å; L26-R30 WeakPolarHBondContact O-CB 3.45Å; L26-R30 PolarHBondContact O-N 3.26Å; M27-R30 PolarHBondContact O-N 3.36Å; R30-K32 PolarHBondContact O-N 3.3Å; R30-H33 WeakPolarHBondContact O-CB 3.37Å; R30-H33 PolarHBondContact O-N 3.01Å; R30-E34 PolarHBondContact O-N 3.32Å |
| 31 | H | 84.6 | Confident | 74.4 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -25.5 | 176.2 | -163.2 | 57.1 | 0 | 0 | 0 | 112.6 | M27 I28 H29 E34 M35 | M27-H31 PolarHBondContact O-N 2.69Å; I28-H31 PolarHBondContact O-N 3.01Å; H29-H31 VanDerWaalsContact C-N 3.34Å; H29-H31 PolarHBondContact O-N 3.35Å; H31-E34 IonicContact CE1-OE2 2.65Å; H31-E34 IonicContact CG-OE2 3.66Å; H31-E34 IonicContact ND1-OE2 2.71Å; H31-E34 PolarHBondContact ND1-OE2 3.47Å; H31-E34 PolarHBondContact O-N 3.34Å; H31-M35 WeakPolarHBondContact CE1-CE 3.4Å; H31-M35 WeakPolarHBondContact O-CB 3.48Å; H31-M35 WeakPolarHBondContact O-CG 3.23Å; H31-M35 PolarHBondContact O-N 3.06Å |
| 32 | K | 82 | Confident | 72.4 | Confident | 140 Ų | 140 | 110.7 Ų | 110.7 | 61% | 0.609 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.5 | -34.1 | 169 | -65.9 | -175.2 | 63.5 | 174.9 | 0 | 113 | I28 H29 R30 E34 T36 | I28-K32 PolarHBondContact O-N 2.95Å; H29-K32 WeakPolarHBondContact O-CB 3.25Å; H29-K32 PolarHBondContact O-N 3.07Å; H29-K32 VanDerWaalsContact O-N 3.14Å; R30-K32 PolarHBondContact O-N 3.3Å; K32-E34 VanDerWaalsContact C-N 3.34Å; K32-T36 WeakPolarHBondContact O-CB 3.33Å; K32-T36 PolarHBondContact O-N 3.26Å; K32-T36 VanDerWaalsContact O-N 3.1Å; K32-T36 PolarHBondContact O-OG1 3.05Å |
| 33 | H | 81.3 | Confident | 70.2 | Confident | 70 Ų | 70 | 117.4 Ų | 117.4 | 32% | 0.324 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.9 | -31.1 | 174.8 | -68.4 | -81.1 | 0 | 0 | 0 | 112.1 | H29 R30 | H29-H33 AromaticContact CD2-CD2 3.78Å; H29-H33 AromaticContact CD2-NE2 3.49Å; H29-H33 PolarHBondContact CD2-NE2 3.36Å; H29-H33 AromaticContact CE1-NE2 3.81Å; H29-H33 AromaticContact NE2-CD2 3.72Å; H29-H33 AromaticContact NE2-NE2 2.95Å; H29-H33 PolarHBondContact NE2-NE2 2.98Å; H29-H33 PolarHBondContact O-CD2 3.07Å; R30-H33 WeakPolarHBondContact O-CB 3.37Å; R30-H33 PolarHBondContact O-N 3.01Å |
| 34 | E | 74.6 | Confident | 67.7 | Low | 143 Ų | 143 | 120.7 Ų | 120.7 | 67% | 0.668 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.4 | -42.1 | 174.3 | -176.2 | 172.1 | -148.6 | 0 | 0 | 112 | R30 H31 K32 T36 | R30-E34 PolarHBondContact O-N 3.32Å; H31-E34 IonicContact CE1-OE2 2.65Å; H31-E34 IonicContact CG-OE2 3.66Å; H31-E34 IonicContact ND1-OE2 2.71Å; H31-E34 PolarHBondContact ND1-OE2 3.47Å; H31-E34 PolarHBondContact O-N 3.34Å; K32-E34 VanDerWaalsContact C-N 3.34Å; E34-T36 VanDerWaalsContact C-N 3.32Å; E34-T36 PolarHBondContact O-N 3.45Å |
| 35 | M | 62.1 | Low | 65.1 | Low | 137 Ų | 137 | 123 Ų | 123 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -83.1 | -1 | 177.6 | -67.4 | -68.5 | 168.5 | 0 | 0 | 114.3 | H31 | H31-M35 WeakPolarHBondContact CE1-CE 3.4Å; H31-M35 WeakPolarHBondContact O-CB 3.48Å; H31-M35 WeakPolarHBondContact O-CG 3.23Å; H31-M35 PolarHBondContact O-N 3.06Å |
| 36 | T | 63.5 | Low | 62.9 | Low | 90 Ų | 90 | 124.3 Ų | 124.3 | 55% | 0.552 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -98.2 | 110 | 173.9 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | K32 E34 K38 | K32-T36 WeakPolarHBondContact O-CB 3.33Å; K32-T36 PolarHBondContact O-N 3.26Å; K32-T36 VanDerWaalsContact O-N 3.1Å; K32-T36 PolarHBondContact O-OG1 3.05Å; E34-T36 VanDerWaalsContact C-N 3.32Å; E34-T36 PolarHBondContact O-N 3.45Å; T36-K38 PolarHBondContact O-N 3.25Å |
| 37 | L | 50.5 | Low | 60.6 | Low | 123 Ų | 123 | 130.7 Ų | 130.7 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | trans | -55.5 | 126.7 | 175.6 | -64.6 | 175.7 | 0 | 0 | 0 | 110.8 | F39 | L37-F39 VanDerWaalsContact C-N 3.29Å; L37-F39 HydrophobicContact CB-CD2 4.14Å; L37-F39 HydrophobicContact CB-CE2 3.64Å; L37-F39 HydrophobicContact CB-CZ 4.22Å; L37-F39 HydrophobicContact CD1-CE2 4.18Å; L37-F39 HydrophobicContact CD1-CZ 4.21Å; L37-F39 WeakPolarHBondContact O-CD2 3.37Å; L37-F39 PolarHBondContact O-N 3.14Å | ||
| 38 | K | 52.5 | Low | 58.6 | Low | 203 Ų | 203 | 133.2 Ų | 133.2 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -75.2 | 75.5 | -178.7 | -72.5 | -177.4 | 178.4 | 174.5 | 0 | 112.1 | T36 | T36-K38 PolarHBondContact O-N 3.25Š| ||
| 39 | F | 45.9 | Very low | 56.6 | Low | 163 Ų | 163 | 133.1 Ų | 133.1 | 72% | 0.715 | 67% | 0.672 | S | S | * | * | trans | -70.5 | 141.3 | 161.2 | -62.3 | -74.2 | 0 | 0 | 0 | 110 | L37 | L37-F39 VanDerWaalsContact C-N 3.29Å; L37-F39 HydrophobicContact CB-CD2 4.14Å; L37-F39 HydrophobicContact CB-CE2 3.64Å; L37-F39 HydrophobicContact CB-CZ 4.22Å; L37-F39 HydrophobicContact CD1-CE2 4.18Å; L37-F39 HydrophobicContact CD1-CZ 4.21Å; L37-F39 WeakPolarHBondContact O-CD2 3.37Å; L37-F39 PolarHBondContact O-N 3.14Å | ||
| 40 | P | 37.9 | Very low | 54.3 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | trans | -54.3 | 141.1 | 170.4 | -25.4 | 35 | 0 | 0 | 0 | 110.9 | I42 | P40-I42 PolarHBondContact O-N 3.19Š| ||
| 41 | S | 39.5 | Very low | 52.3 | Low | 108 Ų | 108 | 137.8 Ų | 137.8 | 76% | 0.755 | 71% | 0.707 | S | S | * | * | trans | -69.1 | 91.3 | -175 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | K43 | S41-K43 PolarHBondContact O-N 3.05Š| ||
| 42 | I | 46.6 | Very low | 50.8 | Low | 152 Ų | 152 | 139.2 Ų | 139.2 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129.5 | 158.2 | -55.4 | 177.2 | 0 | 0 | 0 | 106.4 | P40 N44 | P40-I42 PolarHBondContact O-N 3.19Å; I42-N44 PolarHBondContact O-N 3.42Å |
| 43 | K | 41.2 | Very low | 49.3 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 131.6 | -171.2 | -66.9 | 174.8 | -179.7 | 174.3 | 0 | 110.6 | S41 D45 | S41-K43 PolarHBondContact O-N 3.05Å; K43-D45 PolarHBondContact O-N 3.42Å |
| 44 | N | 36.7 | Very low | 48.2 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.6 | -171.7 | -64.4 | -21 | 0 | 0 | 0 | 112.7 | I42 | I42-N44 PolarHBondContact O-N 3.42Š|
| 45 | D | 34.3 | Very low | 47.5 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | -122.3 | 64.3 | 157 | -131.6 | -41.8 | 0 | 0 | 0 | 111 | K43 M47 | K43-D45 PolarHBondContact O-N 3.42Å; D45-M47 VanDerWaalsContact C-N 3.29Å; D45-M47 PolarHBondContact O-N 3.44Å | ||
| 46 | N | 44.8 | Very low | 47.5 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 42.9 | 1.4 | 148.3 | -150.6 | 40.9 | 0 | 0 | 0 | 123.3 | ||
| 47 | M | 43.6 | Very low | 47.6 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | trans | -134 | 27.6 | -162.7 | -73.1 | -67.5 | 147.7 | 0 | 0 | 116.6 | D45 | D45-M47 VanDerWaalsContact C-N 3.29Å; D45-M47 PolarHBondContact O-N 3.44Å | ||
| 48 | L | 46.5 | Very low | 48.4 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | trans | -131.6 | 22.3 | -175.3 | -72.8 | 175.9 | 0 | 0 | 0 | 116.3 | D50 | L48-D50 VanDerWaalsContact C-N 3.33Å; L48-D50 PolarHBondContact O-N 3.21Å | ||
| 49 | S | 44.3 | Very low | 49.3 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 1.2 | -174.9 | 57 | 0 | 0 | 0 | 0 | 116.9 | ||
| 50 | D | 42.3 | Very low | 50.3 | Low | 155 Ų | 155 | 128.7 Ų | 128.7 | 83% | 0.829 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 20.9 | -173.6 | -97.3 | -51.2 | 0 | 0 | 0 | 114.5 | L48 | L48-D50 VanDerWaalsContact C-N 3.33Å; L48-D50 PolarHBondContact O-N 3.21Å |
| 51 | Q | 43.5 | Very low | 51.7 | Low | 147 Ų | 147 | 126.4 Ų | 126.4 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | trans | -103 | 86.3 | 172.5 | -75 | -74.6 | 0 | 0 | 0 | 110.9 | P53 | Q51-P53 VanDerWaalsContact O-CD 3.27Å; Q51-P53 WeakPolarHBondContact O-CD 3.32Å; Q51-P53 VanDerWaalsContact O-N 3.14Å | ||
| 52 | T | 53 | Low | 53 | Low | 129 Ų | 129 | 122 Ų | 122 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | trans | -59.2 | 113.4 | 157.1 | -58.1 | 0 | 0 | 0 | 0 | 107 | T54 | T52-T54 PolarHBondContact O-N 3.42Š| ||
| 53 | P | 49.8 | Very low | 54 | Low | 60 Ų | 60 | 121.2 Ų | 121.2 | 39% | 0.39 | 63% | 0.633 | S | S | . | * | trans | -65.2 | 117.2 | -174.5 | 26.1 | -33.1 | 0 | 0 | 0 | 108.9 | Q51 | Q51-P53 VanDerWaalsContact O-CD 3.27Å; Q51-P53 WeakPolarHBondContact O-CD 3.32Å; Q51-P53 VanDerWaalsContact O-N 3.14Å | ||
| 54 | T | 59.4 | Low | 55.3 | Low | 87 Ų | 87 | 118.7 Ų | 118.7 | 53% | 0.534 | 62% | 0.624 | S | S | . | * | trans | -45 | 133.3 | 169.9 | -49.8 | 0 | 0 | 0 | 0 | 108.4 | T52 T56 R57 F58 | T52-T54 PolarHBondContact O-N 3.42Å; T54-T56 PolarHBondContact O-N 3.04Å; T54-R57 WeakPolarHBondContact O-CA 3.49Å; T54-R57 WeakPolarHBondContact O-CB 3.13Å; T54-R57 PolarHBondContact O-N 3.4Å; T54-F58 PolarHBondContact O-N 3.45Å | ||
| 55 | P | 60.1 | Low | 56.9 | Low | 94 Ų | 94 | 116.8 Ų | 116.8 | 61% | 0.61 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -55 | -29.4 | -170.6 | 15.5 | -30.1 | 0 | 0 | 0 | 113.6 | R57 F58 L59 | P55-R57 VanDerWaalsContact C-N 3.35Å; P55-R57 PolarHBondContact O-N 3.5Å; P55-F58 PolarHBondContact O-N 3.08Å; P55-L59 WeakPolarHBondContact O-CB 3.22Å; P55-L59 VanDerWaalsContact O-CG 3.31Å; P55-L59 WeakPolarHBondContact O-CG 3.4Å; P55-L59 PolarHBondContact O-N 3.31Å |
| 56 | T | 60.7 | Low | 58.3 | Low | 107 Ų | 107 | 111.1 Ų | 111.1 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -57.9 | -39 | 170.5 | -40.6 | 0 | 0 | 0 | 0 | 114 | T54 K60 | T54-T56 PolarHBondContact O-N 3.04Å; T56-K60 WeakPolarHBondContact O-CB 3.49Å; T56-K60 PolarHBondContact O-N 3.41Å; T56-K60 VanDerWaalsContact O-N 3.09Å |
| 57 | R | 66.6 | Low | 59.4 | Low | 159 Ų | 159 | 110.1 Ų | 110.1 | 60% | 0.6 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74.7 | -38.6 | 175.2 | -171.3 | 178.6 | -173 | -84.1 | 0.6 | 111.1 | T54 P55 K60 N61 | T54-R57 WeakPolarHBondContact O-CA 3.49Å; T54-R57 WeakPolarHBondContact O-CB 3.13Å; T54-R57 PolarHBondContact O-N 3.4Å; P55-R57 VanDerWaalsContact C-N 3.35Å; P55-R57 PolarHBondContact O-N 3.5Å; R57-K60 PolarHBondContact O-N 3.46Å; R57-N61 WeakPolarHBondContact O-CB 3.21Å; R57-N61 PolarHBondContact O-N 3.17Å; R57-N61 PolarHBondContact O-OD1 3.47Å |
| 58 | F | 66.6 | Low | 60.2 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 50% | 0.504 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.5 | -47.3 | 175 | -176.6 | -94.3 | 0 | 0 | 0 | 111.5 | T54 P55 N61 C62 | T54-F58 PolarHBondContact O-N 3.45Å; P55-F58 PolarHBondContact O-N 3.08Å; F58-N61 PolarHBondContact O-N 3.07Å; F58-C62 VanDerWaalsContact CE1-SG 3.52Å; F58-C62 PolarHBondContact O-N 3.5Å; F58-C62 PolarHBondContact O-SG 3.18Å |
| 59 | L | 72.8 | Confident | 61 | Low | 96 Ų | 96 | 103.3 Ų | 103.3 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.2 | -48 | 175.9 | -73.3 | 166.7 | 0 | 0 | 0 | 111.9 | P55 N61 C62 E63 F68 | P55-L59 WeakPolarHBondContact O-CB 3.22Å; P55-L59 VanDerWaalsContact O-CG 3.31Å; P55-L59 WeakPolarHBondContact O-CG 3.4Å; P55-L59 PolarHBondContact O-N 3.31Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 3.26Å; L59-C62 WeakPolarHBondContact O-CB 3.44Å; L59-C62 PolarHBondContact O-N 2.94Å; L59-E63 WeakPolarHBondContact O-CB 3.49Å; L59-E63 PolarHBondContact O-N 3.33Å; L59-F68 HydrophobicContact CD2-CZ 4.35Å |
| 60 | K | 65.3 | Low | 61.7 | Low | 129 Ų | 129 | 104.5 Ų | 104.5 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.7 | -40.1 | 176.3 | -171.9 | 175.6 | -178.5 | -176.6 | 0 | 112.4 | T56 R57 C62 E63 E64 | T56-K60 WeakPolarHBondContact O-CB 3.49Å; T56-K60 PolarHBondContact O-N 3.41Å; T56-K60 VanDerWaalsContact O-N 3.09Å; R57-K60 PolarHBondContact O-N 3.46Å; K60-C62 VanDerWaalsContact C-N 3.26Å; K60-C62 PolarHBondContact O-N 2.9Å; K60-E63 WeakPolarHBondContact O-CB 3.38Å; K60-E63 PolarHBondContact O-N 3.45Å; K60-E64 VanDerWaalsContact O-CB 3.22Å; K60-E64 WeakPolarHBondContact O-CB 3.36Å; K60-E64 PolarHBondContact O-N 3.25Å |
| 61 | N | 67.3 | Low | 62.5 | Low | 68 Ų | 68 | 101.6 Ų | 101.6 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.7 | -26.9 | 174.4 | -83.9 | 68.2 | 0 | 0 | 0 | 112.9 | R57 F58 L59 V65 | R57-N61 WeakPolarHBondContact O-CB 3.21Å; R57-N61 PolarHBondContact O-N 3.17Å; R57-N61 PolarHBondContact O-OD1 3.47Å; F58-N61 PolarHBondContact O-N 3.07Å; L59-N61 VanDerWaalsContact C-N 3.32Å; L59-N61 PolarHBondContact O-N 3.26Å; N61-V65 WeakPolarHBondContact O-CG2 3.48Å; N61-V65 PolarHBondContact O-N 3.37Å |
| 62 | C | 67.4 | Low | 63.4 | Low | 16 Ų | 16 | 99.4 Ų | 99.4 | 11% | 0.108 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -78.8 | -41.1 | 174.7 | -64.9 | 0 | 0 | 0 | 0 | 111.8 | F58 L59 K60 E64 V65 G66 L67 F68 | F58-C62 VanDerWaalsContact CE1-SG 3.52Å; F58-C62 PolarHBondContact O-N 3.5Å; F58-C62 PolarHBondContact O-SG 3.18Å; L59-C62 WeakPolarHBondContact O-CB 3.44Å; L59-C62 PolarHBondContact O-N 2.94Å; K60-C62 VanDerWaalsContact C-N 3.26Å; K60-C62 PolarHBondContact O-N 2.9Å; C62-E64 VanDerWaalsContact C-N 3.34Å; C62-V65 WeakPolarHBondContact O-CG2 3.38Å; C62-V65 PolarHBondContact O-N 3.02Å; C62-G66 PolarHBondContact O-N 3.35Å; C62-L67 HydrophobicContact CB-CB 4.22Å; C62-L67 HydrophobicContact CB-CD1 4.27Å; C62-L67 WeakPolarHBondContact O-CB 3.37Å; C62-L67 PolarHBondContact O-N 2.97Å; C62-L67 VanDerWaalsContact O-N 3.08Å; C62-F68 HydrophobicContact CB-CE2 3.84Å |
| 63 | E | 68.6 | Low | 63.6 | Low | 135 Ų | 135 | 97.4 Ų | 97.4 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57 | -45.8 | 170.3 | -177.6 | -179.5 | -147.1 | 0 | 0 | 110.9 | L59 K60 V65 G66 | L59-E63 WeakPolarHBondContact O-CB 3.49Å; L59-E63 PolarHBondContact O-N 3.33Å; K60-E63 WeakPolarHBondContact O-CB 3.38Å; K60-E63 PolarHBondContact O-N 3.45Å; E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 3.35Å; E63-G66 PolarHBondContact O-N 3.39Å; E63-G66 VanDerWaalsContact O-N 3.07Å |
| 64 | E | 67.7 | Low | 64.2 | Low | 145 Ų | 145 | 97.4 Ų | 97.4 | 68% | 0.678 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.6 | 178.7 | -171 | 168.8 | -161.9 | 0 | 0 | 114.4 | K60 C62 | K60-E64 VanDerWaalsContact O-CB 3.22Å; K60-E64 WeakPolarHBondContact O-CB 3.36Å; K60-E64 PolarHBondContact O-N 3.25Å; C62-E64 VanDerWaalsContact C-N 3.34Å |
| 65 | V | 70 | Confident | 64.6 | Low | 108 Ų | 108 | 97.5 Ų | 97.5 | 66% | 0.655 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 14.5 | 171.3 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | N61 C62 E63 L67 | N61-V65 WeakPolarHBondContact O-CG2 3.48Å; N61-V65 PolarHBondContact O-N 3.37Å; C62-V65 WeakPolarHBondContact O-CG2 3.38Å; C62-V65 PolarHBondContact O-N 3.02Å; E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 3.35Å; V65-L67 VanDerWaalsContact C-N 3.29Å; V65-L67 HydrophobicContact CG2-CB 4.27Å; V65-L67 HydrophobicContact CG2-CD1 4.27Å; V65-L67 PolarHBondContact O-N 2.66Å |
| 66 | G | 64.8 | Low | 64.9 | Low | 32 Ų | 32 | 98.8 Ų | 98.8 | 33% | 0.33 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 14.8 | 174 | 0 | 0 | 0 | 0 | 0 | 115.3 | C62 E63 F68 S69 | C62-G66 PolarHBondContact O-N 3.35Å; E63-G66 PolarHBondContact O-N 3.39Å; E63-G66 VanDerWaalsContact O-N 3.07Å; G66-F68 PolarHBondContact O-N 3.39Å; G66-S69 PolarHBondContact O-N 3.06Å; G66-S69 PolarHBondContact O-OG 2.83Å |
| 67 | L | 66.1 | Low | 65.2 | Low | 115 Ų | 115 | 99.1 Ų | 99.1 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -1.3 | -172 | -127.5 | 170.8 | 0 | 0 | 0 | 114.6 | C62 V65 | C62-L67 HydrophobicContact CB-CB 4.22Å; C62-L67 HydrophobicContact CB-CD1 4.27Å; C62-L67 WeakPolarHBondContact O-CB 3.37Å; C62-L67 PolarHBondContact O-N 2.97Å; C62-L67 VanDerWaalsContact O-N 3.08Å; V65-L67 VanDerWaalsContact C-N 3.29Å; V65-L67 HydrophobicContact CG2-CB 4.27Å; V65-L67 HydrophobicContact CG2-CD1 4.27Å; V65-L67 PolarHBondContact O-N 2.66Å |
| 68 | F | 60.8 | Low | 65.3 | Low | 90 Ų | 90 | 96 Ų | 96 | 40% | 0.395 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -10.5 | 176 | -63.9 | -79.1 | 0 | 0 | 0 | 113.6 | L59 C62 G66 D70 L71 D72 | L59-F68 HydrophobicContact CD2-CZ 4.35Å; C62-F68 HydrophobicContact CB-CE2 3.84Å; G66-F68 PolarHBondContact O-N 3.39Å; F68-D70 VanDerWaalsContact C-N 3.3Å; F68-D70 PolarHBondContact O-N 2.96Å; F68-L71 HydrophobicContact CD1-CD1 3.94Å; F68-L71 WeakPolarHBondContact O-CB 3.41Å; F68-L71 PolarHBondContact O-N 3.41Å; F68-D72 PolarHBondContact O-N 3.03Å |
| 69 | S | 64.8 | Low | 65.3 | Low | 68 Ų | 68 | 98 Ų | 98 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -34.9 | -173.4 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | G66 L71 C73 | G66-S69 PolarHBondContact O-N 3.06Å; G66-S69 PolarHBondContact O-OG 2.83Å; S69-L71 VanDerWaalsContact C-N 3.3Å; S69-L71 PolarHBondContact O-N 2.65Å; S69-C73 PolarHBondContact O-N 3.46Å |
| 70 | D | 59 | Low | 65.1 | Low | 140 Ų | 140 | 97.2 Ų | 97.2 | 75% | 0.749 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.3 | -27.7 | 175 | -61.3 | -36.1 | 0 | 0 | 0 | 112.6 | F68 S74 | F68-D70 VanDerWaalsContact C-N 3.3Å; F68-D70 PolarHBondContact O-N 2.96Å; D70-S74 WeakPolarHBondContact O-CB 3.44Å; D70-S74 PolarHBondContact O-N 3.19Å; D70-S74 VanDerWaalsContact O-N 3.08Å |
| 71 | L | 58.5 | Low | 65.3 | Low | 93 Ų | 93 | 96.1 Ų | 96.1 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.5 | -41.8 | -179.3 | -70.7 | 167.8 | 0 | 0 | 0 | 111.5 | F68 S69 S74 I75 | F68-L71 HydrophobicContact CD1-CD1 3.94Å; F68-L71 WeakPolarHBondContact O-CB 3.41Å; F68-L71 PolarHBondContact O-N 3.41Å; S69-L71 VanDerWaalsContact C-N 3.3Å; S69-L71 PolarHBondContact O-N 2.65Å; L71-S74 PolarHBondContact O-N 3.08Å; L71-I75 WeakPolarHBondContact O-CB 3.35Å; L71-I75 WeakPolarHBondContact O-CD1 3.33Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 2.92Å |
| 72 | D | 61.2 | Low | 65.4 | Low | 101 Ų | 101 | 95.7 Ų | 95.7 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 176.4 | -65.2 | -36 | 0 | 0 | 0 | 110.3 | F68 S74 I75 E76 | F68-D72 PolarHBondContact O-N 3.03Å; D72-S74 PolarHBondContact O-N 3.11Å; D72-I75 PolarHBondContact O-N 3.32Å; D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 3.02Å |
| 73 | C | 57.3 | Low | 65.5 | Low | 87 Ų | 87 | 101.2 Ų | 101.2 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.2 | -35.6 | 177.1 | -66.4 | 0 | 0 | 0 | 0 | 113.9 | S69 Q77 | S69-C73 PolarHBondContact O-N 3.46Å; C73-Q77 WeakPolarHBondContact O-CB 3.39Å; C73-Q77 PolarHBondContact O-N 3.24Å |
| 74 | S | 62.7 | Low | 65.4 | Low | 60 Ų | 60 | 101.1 Ų | 101.1 | 42% | 0.42 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 176 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | D70 L71 D72 Q77 D78 | D70-S74 WeakPolarHBondContact O-CB 3.44Å; D70-S74 PolarHBondContact O-N 3.19Å; D70-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-N 3.08Å; D72-S74 PolarHBondContact O-N 3.11Å; S74-Q77 PolarHBondContact O-N 3.4Å; S74-D78 PolarHBondContact O-N 3.35Å; S74-D78 VanDerWaalsContact O-N 3.08Å |
| 75 | I | 67.9 | Low | 65.5 | Low | 89 Ų | 89 | 99.7 Ų | 99.7 | 46% | 0.456 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -45.6 | -178.2 | -70.6 | 165.7 | 0 | 0 | 0 | 110.5 | L71 D72 Q77 D78 F79 | L71-I75 WeakPolarHBondContact O-CB 3.35Å; L71-I75 WeakPolarHBondContact O-CD1 3.33Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 2.92Å; D72-I75 PolarHBondContact O-N 3.32Å; I75-Q77 VanDerWaalsContact C-N 3.33Å; I75-Q77 PolarHBondContact O-N 3.37Å; I75-D78 PolarHBondContact O-N 3.29Å; I75-F79 HydrophobicContact CG2-CD2 3.91Å; I75-F79 HydrophobicContact CG2-CE2 3.97Å; I75-F79 WeakPolarHBondContact O-CD2 3.46Å; I75-F79 PolarHBondContact O-N 2.75Å; I75-F79 VanDerWaalsContact O-N 3.11Å |
| 76 | E | 67.5 | Low | 65.3 | Low | 122 Ų | 122 | 99.2 Ų | 99.2 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.3 | -41.1 | 176.7 | -70.3 | -174 | 142.9 | 0 | 0 | 111.8 | D72 D78 F79 C80 | D72-E76 WeakPolarHBondContact O-CG 3.44Å; D72-E76 PolarHBondContact O-N 3.02Å; E76-D78 PolarHBondContact O-N 3.22Å; E76-F79 PolarHBondContact O-N 2.94Å; E76-C80 PolarHBondContact O-N 2.71Å; E76-C80 PolarHBondContact O-SG 2.91Å |
| 77 | Q | 66.6 | Low | 65.3 | Low | 114 Ų | 114 | 102.7 Ų | 102.7 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 178.2 | -173.8 | 174.6 | 105.9 | 0 | 0 | 113.1 | C73 S74 I75 C80 K81 | C73-Q77 WeakPolarHBondContact O-CB 3.39Å; C73-Q77 PolarHBondContact O-N 3.24Å; S74-Q77 PolarHBondContact O-N 3.4Å; I75-Q77 VanDerWaalsContact C-N 3.33Å; I75-Q77 PolarHBondContact O-N 3.37Å; Q77-C80 PolarHBondContact O-N 2.86Å; Q77-K81 HydrophobicContact CG-CD 4.37Å; Q77-K81 PolarHBondContact O-N 3.08Å |
| 78 | D | 69.3 | Low | 65.4 | Low | 92 Ų | 92 | 100.2 Ų | 100.2 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 178.1 | -75.2 | -24 | 0 | 0 | 0 | 112 | S74 I75 E76 A82 | S74-D78 PolarHBondContact O-N 3.35Å; S74-D78 VanDerWaalsContact O-N 3.08Å; I75-D78 PolarHBondContact O-N 3.29Å; E76-D78 PolarHBondContact O-N 3.22Å; D78-A82 WeakPolarHBondContact O-CB 3.49Å; D78-A82 PolarHBondContact O-N 2.87Å |
| 79 | F | 66.4 | Low | 65.5 | Low | 158 Ų | 158 | 101.3 Ų | 101.3 | 69% | 0.693 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 171.6 | -89.6 | -74.3 | 0 | 0 | 0 | 112.6 | I75 E76 A82 Q83 | I75-F79 HydrophobicContact CG2-CD2 3.91Å; I75-F79 HydrophobicContact CG2-CE2 3.97Å; I75-F79 WeakPolarHBondContact O-CD2 3.46Å; I75-F79 PolarHBondContact O-N 2.75Å; I75-F79 VanDerWaalsContact O-N 3.11Å; E76-F79 PolarHBondContact O-N 2.94Å; F79-A82 PolarHBondContact O-N 3.31Å; F79-Q83 PolarHBondContact O-N 3.29Å |
| 80 | C | 67.5 | Low | 65.2 | Low | 79 Ų | 79 | 103.1 Ų | 103.1 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 174.8 | -73.1 | 0 | 0 | 0 | 0 | 112.1 | E76 Q77 A82 Q83 E84 | E76-C80 PolarHBondContact O-N 2.71Å; E76-C80 PolarHBondContact O-SG 2.91Å; Q77-C80 PolarHBondContact O-N 2.86Å; C80-A82 PolarHBondContact O-N 2.93Å; C80-Q83 PolarHBondContact O-N 3.34Å; C80-E84 PolarHBondContact O-N 3.27Å |
| 81 | K | 69.9 | Low | 64.6 | Low | 107 Ų | 107 | 102 Ų | 102 | 47% | 0.465 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 177.5 | -78.4 | 168.1 | 174.3 | 160.7 | 0 | 112.6 | Q77 Q83 E84 E85 | Q77-K81 HydrophobicContact CG-CD 4.37Å; Q77-K81 PolarHBondContact O-N 3.08Å; K81-Q83 VanDerWaalsContact C-N 3.26Å; K81-Q83 PolarHBondContact O-N 3.05Å; K81-E84 PolarHBondContact O-N 3.2Å; K81-E85 WeakPolarHBondContact O-CB 3.46Å; K81-E85 PolarHBondContact O-N 3.02Å |
| 82 | A | 68.8 | Low | 64.4 | Low | 58 Ų | 58 | 103.9 Ų | 103.9 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -35 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D78 F79 C80 E86 | D78-A82 WeakPolarHBondContact O-CB 3.49Å; D78-A82 PolarHBondContact O-N 2.87Å; F79-A82 PolarHBondContact O-N 3.31Å; C80-A82 PolarHBondContact O-N 2.93Å; A82-E86 PolarHBondContact O-N 2.88Å |
| 83 | Q | 69.8 | Low | 63.9 | Low | 132 Ų | 132 | 103 Ų | 103 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.8 | -44.5 | 176.5 | -169.8 | 66.3 | 34.2 | 0 | 0 | 111.9 | F79 C80 K81 E85 E86 D87 | F79-Q83 PolarHBondContact O-N 3.29Å; C80-Q83 PolarHBondContact O-N 3.34Å; K81-Q83 VanDerWaalsContact C-N 3.26Å; K81-Q83 PolarHBondContact O-N 3.05Å; Q83-E85 VanDerWaalsContact C-N 3.32Å; Q83-E85 PolarHBondContact O-N 3.26Å; Q83-E86 PolarHBondContact O-N 3.36Å; Q83-D87 PolarHBondContact O-N 3.07Å; Q83-D87 VanDerWaalsContact O-N 3.14Å |
| 84 | E | 67.3 | Low | 63.4 | Low | 133 Ų | 133 | 106 Ų | 106 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -35.5 | 177 | -70.2 | -179.1 | 154.1 | 0 | 0 | 112.3 | C80 K81 E86 S88 | C80-E84 PolarHBondContact O-N 3.27Å; K81-E84 PolarHBondContact O-N 3.2Å; E84-E86 VanDerWaalsContact C-N 3.31Å; E84-E86 PolarHBondContact O-N 3.48Å; E84-S88 VanDerWaalsContact O-CB 3.23Å; E84-S88 WeakPolarHBondContact O-CB 3.44Å; E84-S88 PolarHBondContact O-N 2.89Å; E84-S88 PolarHBondContact O-OG 3.44Å |
| 85 | E | 69 | Low | 62.7 | Low | 116 Ų | 116 | 111.9 Ų | 111.9 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.1 | -22.4 | 177.6 | -147.1 | -157.4 | 143.1 | 0 | 0 | 113.1 | K81 Q83 K89 | K81-E85 WeakPolarHBondContact O-CB 3.46Å; K81-E85 PolarHBondContact O-N 3.02Å; Q83-E85 VanDerWaalsContact C-N 3.32Å; Q83-E85 PolarHBondContact O-N 3.26Å; E85-K89 WeakPolarHBondContact O-CD 3.34Å; E85-K89 VanDerWaalsContact O-CE 3.25Å; E85-K89 WeakPolarHBondContact O-CE 3.46Å; E85-K89 WeakPolarHBondContact O-CG 3.35Å; E85-K89 VanDerWaalsContact OE1-CE 3.22Å; E85-K89 WeakPolarHBondContact OE1-CE 3.38Å; E85-K89 IonicContact OE1-NZ 2.65Å; E85-K89 PolarHBondContact OE1-NZ 3.45Å; E85-K89 IonicContact OE2-NZ 3.85Å |
| 86 | E | 67 | Low | 61 | Low | 98 Ų | 98 | 110.7 Ų | 110.7 | 46% | 0.458 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -79.8 | -50.7 | 174.3 | -131.6 | -89.3 | 101 | 0 | 0 | 110.5 | A82 Q83 E84 S88 K89 Q90 | A82-E86 PolarHBondContact O-N 2.88Å; Q83-E86 PolarHBondContact O-N 3.36Å; E84-E86 VanDerWaalsContact C-N 3.31Å; E84-E86 PolarHBondContact O-N 3.48Å; E86-S88 VanDerWaalsContact C-N 3.31Å; E86-S88 PolarHBondContact O-N 2.81Å; E86-K89 WeakPolarHBondContact O-CB 3.28Å; E86-K89 PolarHBondContact O-N 3.37Å; E86-Q90 PolarHBondContact O-N 3.49Å; E86-Q90 PolarHBondContact OE1-NE2 3.41Å; E86-Q90 PolarHBondContact OE2-NE2 2.99Å |
| 87 | D | 63.1 | Low | 59.5 | Low | 104 Ų | 104 | 114.3 Ų | 114.3 | 56% | 0.556 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.1 | -40.5 | 178.1 | -163.3 | 51.2 | 0 | 0 | 0 | 111.6 | Q83 K89 Q90 N91 | Q83-D87 PolarHBondContact O-N 3.07Å; Q83-D87 VanDerWaalsContact O-N 3.14Å; D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 PolarHBondContact O-N 3.38Å; D87-Q90 PolarHBondContact O-N 3.5Å; D87-N91 WeakPolarHBondContact O-CB 3.19Å; D87-N91 PolarHBondContact O-N 2.97Å |
| 88 | S | 68.6 | Low | 57.9 | Low | 64 Ų | 64 | 114.1 Ų | 114.1 | 45% | 0.448 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -59.1 | -36.4 | 173.5 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | E84 E86 I92 | E84-S88 VanDerWaalsContact O-CB 3.23Å; E84-S88 WeakPolarHBondContact O-CB 3.44Å; E84-S88 PolarHBondContact O-N 2.89Å; E84-S88 PolarHBondContact O-OG 3.44Å; E86-S88 VanDerWaalsContact C-N 3.31Å; E86-S88 PolarHBondContact O-N 2.81Å; S88-I92 WeakPolarHBondContact O-CD1 3.47Å; S88-I92 WeakPolarHBondContact O-CG1 3.42Å; S88-I92 PolarHBondContact O-N 3.13Å |
| 89 | K | 63.2 | Low | 56.1 | Low | 112 Ų | 112 | 113 Ų | 113 | 49% | 0.487 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -75.5 | -37.7 | 178.5 | -72.3 | 163.8 | -167.1 | 155.9 | 0 | 111.7 | E85 E86 D87 N91 A93 | E85-K89 WeakPolarHBondContact O-CD 3.34Å; E85-K89 VanDerWaalsContact O-CE 3.25Å; E85-K89 WeakPolarHBondContact O-CE 3.46Å; E85-K89 WeakPolarHBondContact O-CG 3.35Å; E85-K89 VanDerWaalsContact OE1-CE 3.22Å; E85-K89 WeakPolarHBondContact OE1-CE 3.38Å; E85-K89 IonicContact OE1-NZ 2.65Å; E85-K89 PolarHBondContact OE1-NZ 3.45Å; E85-K89 IonicContact OE2-NZ 3.85Å; E86-K89 WeakPolarHBondContact O-CB 3.28Å; E86-K89 PolarHBondContact O-N 3.37Å; D87-K89 VanDerWaalsContact C-N 3.29Å; D87-K89 PolarHBondContact O-N 3.38Å; K89-N91 VanDerWaalsContact C-N 3.33Å; K89-A93 PolarHBondContact O-N 3Å |
| 90 | Q | 58.3 | Low | 54.6 | Low | 106 Ų | 106 | 115.5 Ų | 115.5 | 50% | 0.495 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.1 | -35.1 | 175.4 | -64.8 | -172.1 | 25 | 0 | 0 | 111.8 | E86 D87 | E86-Q90 PolarHBondContact O-N 3.49Å; E86-Q90 PolarHBondContact OE1-NE2 3.41Å; E86-Q90 PolarHBondContact OE2-NE2 2.99Å; D87-Q90 PolarHBondContact O-N 3.5Å |
| 91 | N | 47.7 | Very low | 52.8 | Low | 116 Ų | 116 | 115.2 Ų | 115.2 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.9 | -48.6 | 176.3 | -159 | -67.5 | 0 | 0 | 0 | 112.5 | D87 K89 A93 L94 | D87-N91 WeakPolarHBondContact O-CB 3.19Å; D87-N91 PolarHBondContact O-N 2.97Å; K89-N91 VanDerWaalsContact C-N 3.33Å; N91-A93 VanDerWaalsContact C-N 3.26Å; N91-A93 PolarHBondContact O-N 3.09Å; N91-L94 PolarHBondContact O-N 3.49Å; N91-L94 VanDerWaalsContact O-N 3.13Å |
| 92 | I | 53.8 | Low | 51 | Low | 133 Ų | 133 | 118.7 Ų | 118.7 | 68% | 0.682 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -62.2 | -32.1 | -178.8 | -69.2 | 166.1 | 0 | 0 | 0 | 112.2 | S88 L94 | S88-I92 WeakPolarHBondContact O-CD1 3.47Å; S88-I92 WeakPolarHBondContact O-CG1 3.42Å; S88-I92 PolarHBondContact O-N 3.13Å; I92-L94 PolarHBondContact O-N 3Å; I92-L94 VanDerWaalsContact O-N 3.17Å |
| 93 | A | 50.1 | Low | 49.2 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -17.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K89 N91 | K89-A93 PolarHBondContact O-N 3Å; N91-A93 VanDerWaalsContact C-N 3.26Å; N91-A93 PolarHBondContact O-N 3.09Å |
| 94 | L | 47.6 | Very low | 47.5 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | 4.9 | -173.5 | -99.5 | 159.6 | 0 | 0 | 0 | 115.2 | N91 I92 | N91-L94 PolarHBondContact O-N 3.49Å; N91-L94 VanDerWaalsContact O-N 3.13Å; I92-L94 PolarHBondContact O-N 3Å; I92-L94 VanDerWaalsContact O-N 3.17Å |
| 95 | H | 47.2 | Very low | 45.8 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 84% | 0.843 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -130.7 | 13.1 | 177.9 | -131.8 | 63.7 | 0 | 0 | 0 | 114.9 | Q97 | H95-Q97 PolarHBondContact O-N 3.04Š|
| 96 | G | 33 | Very low | 44.1 | Very low | 64 Ų | 64 | 122.9 Ų | 122.9 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | trans | -85.7 | 90.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 97 | Q | 36.2 | Very low | 42.6 | Very low | 198 Ų | 198 | 127.1 Ų | 127.1 | 93% | 0.925 | 71% | 0.71 | S | S | * | * | trans | 64.7 | 124.7 | 158.3 | -58.1 | -175.1 | 5.2 | 0 | 0 | 120.3 | H95 | H95-Q97 PolarHBondContact O-N 3.04Š| ||
| 98 | A | 31.7 | Very low | 41.2 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 91% | 0.909 | 71% | 0.71 | S | S | * | * | trans | -133 | 128.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 99 | G | 31.6 | Very low | 39.6 | Very low | 69 Ų | 69 | 133.3 Ų | 133.3 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | trans | 140.7 | 84.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 100 | Q | 35.4 | Very low | 38.1 | Very low | 210 Ų | 210 | 135.8 Ų | 135.8 | 98% | 0.981 | 75% | 0.745 | S | S | * | * | trans | 68.3 | 145.5 | 144.6 | -49.4 | -177.6 | 11 | 0 | 0 | 119.6 | ||||
| 101 | G | 29.4 | Very low | 36.9 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -174.9 | -34.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 102 | Q | 31.4 | Very low | 36.2 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | 69 | 153.9 | 179.5 | -53.7 | -164.5 | 10.3 | 0 | 0 | 120.5 | ||||
| 103 | H | 31.8 | Very low | 35.6 | Very low | 152 Ų | 152 | 137 Ų | 137 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | trans | 61 | 152.8 | 169.4 | -86.7 | 65.9 | 0 | 0 | 0 | 117.6 | ||||
| 104 | Q | 33.3 | Very low | 34.8 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | cis | -174.1 | 135.1 | -25.1 | 179.6 | 169.8 | 105.6 | 0 | 0 | 103.9 | ||||
| 105 | Q | 32.8 | Very low | 34.2 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 73% | 0.729 | 77% | 0.767 | S | S | * | * | cis | -165.5 | 172.2 | 44.8 | -139.5 | 162.9 | 23.2 | 0 | 0 | 111.6 | ||||
| 106 | S | 32.9 | Very low | 33.4 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | trans | -10.3 | 149.4 | 155.4 | 50.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 107 | H | 35.3 | Very low | 33.4 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | cis | -171.8 | 174.2 | 18.6 | -111.8 | 5.5 | 0 | 0 | 0 | 109.5 | ||||
| 108 | A | 33.6 | Very low | 33.2 | Very low | 68 Ų | 68 | 135.2 Ų | 135.2 | 56% | 0.562 | 76% | 0.758 | S | S | * | * | cis | -171.6 | 149.9 | -16.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 109 | R | 35.4 | Very low | 33.4 | Very low | 229 Ų | 229 | 136.3 Ų | 136.3 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | 55 | 151.3 | 145.1 | -68.9 | -175.4 | 175.7 | 176.1 | -0.9 | 122.6 | ||||
| 110 | M | 32.2 | Very low | 33.2 | Very low | 164 Ų | 164 | 142 Ų | 142 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | cis | -176.4 | 176.6 | -37.9 | -126.8 | -156 | -72.1 | 0 | 0 | 112.1 | ||||
| 111 | A | 33.2 | Very low | 33 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | trans | 81.9 | 149.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 112 | N | 32.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 65% | 0.647 | 75% | 0.751 | S | S | * | * | cis | -174 | 137.2 | -25.3 | 175.9 | -107 | 0 | 0 | 0 | 106.2 | D114 | N112-D114 PolarHBondContact ND2-OD2 3.45Š| ||
| 113 | H | 41.8 | Very low | 32.7 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | -153.3 | 166.3 | 67.7 | 36.7 | -71.5 | 0 | 0 | 0 | 109.8 | |||||
| 114 | D | 32.1 | Very low | 33.4 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | cis | 70.6 | 127.2 | 43.8 | -58 | -68.5 | 0 | 0 | 0 | 113.9 | N112 | N112-D114 PolarHBondContact ND2-OD2 3.45Š| ||
| 115 | T | 34.3 | Very low | 33.2 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | cis | -142.5 | -170.6 | 48.4 | 35.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 116 | S | 30.8 | Very low | 34 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -134.2 | 145.9 | -145.2 | -169.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 117 | I | 33.6 | Very low | 33.9 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | 30.6 | 127.8 | 145.3 | -57.3 | -68 | 0 | 0 | 0 | 121.2 | ||||
| 118 | V | 32.8 | Very low | 33.7 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | -142.3 | 143.1 | 129.5 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 119 | I | 34.3 | Very low | 33.6 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | -124 | 140.6 | 168.7 | -64 | 172.8 | 0 | 0 | 0 | 108.7 | ||||
| 120 | Q | 28.8 | Very low | 33.4 | Very low | 187 Ų | 187 | 133 Ų | 133 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -141.5 | 155.1 | 159.9 | -155.2 | 73.4 | 86.9 | 0 | 0 | 109.9 | ||||
| 121 | Q | 29.4 | Very low | 33.4 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -138.6 | 122.4 | -159.5 | 176.9 | -175 | 18.2 | 0 | 0 | 110.9 | ||||
| 122 | A | 25.9 | Very low | 33.3 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -164.8 | 151.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 123 | L | 29.4 | Very low | 33.1 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -156.3 | 166.5 | 173.8 | -82.1 | 179.9 | 0 | 0 | 0 | 107.2 | ||||
| 124 | P | 46.3 | Very low | 32.6 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | cis | -132.5 | -160.2 | -7.8 | 38.3 | -19 | 0 | 0 | 0 | 113.6 | ||||
| 125 | S | 29.3 | Very low | 32.7 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | 92 | 156.8 | 151.1 | -87.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 126 | P | 50.2 | Low | 32.8 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -132.9 | 176 | -131.4 | 44.5 | -31 | 0 | 0 | 0 | 116.5 | ||||
| 127 | Q | 30.5 | Very low | 32.9 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | -165.9 | 138.5 | 149.6 | -110.1 | 162.8 | 22 | 0 | 0 | 116.2 | ||||
| 128 | S | 31.1 | Very low | 32.9 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | 53.1 | 103.5 | 137.2 | -54.7 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 129 | S | 32.3 | Very low | 32.9 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | 41.1 | 116 | 121.9 | 64.1 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 130 | S | 30.4 | Very low | 32.9 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -176.3 | 142.4 | 131.2 | -79.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 131 | V | 31.8 | Very low | 33.1 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | cis | 108.3 | 100.2 | 25.2 | 170.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 132 | I | 30.9 | Very low | 33.4 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 82.6 | 136 | 149.1 | -65 | 170.9 | 0 | 0 | 0 | 121.6 | ||||
| 133 | T | 29.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | trans | 86.1 | 137.5 | 156.4 | 38 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 134 | Q | 29.9 | Very low | 34.9 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 80.7 | 113.9 | 141.4 | -76.9 | 172.2 | 111.8 | 0 | 0 | 120.9 | ||||
| 135 | A | 34.5 | Very low | 34.4 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -87.7 | 163.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 136 | P | 36.8 | Very low | 35.1 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -125 | 134.9 | 145.8 | 35.1 | -25.5 | 0 | 0 | 0 | 112.2 | ||||
| 137 | S | 32.8 | Very low | 34.2 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -74 | 147.2 | 161.9 | -60.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 138 | T | 34.6 | Very low | 34.4 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | -152.2 | 126.8 | 146.2 | -11.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 139 | N | 32.3 | Very low | 34.9 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | trans | -72.7 | 136.2 | 172.8 | 173.3 | 5.2 | 0 | 0 | 0 | 110.5 | ||||
| 140 | R | 35.2 | Very low | 35 | Very low | 229 Ų | 229 | 129.5 Ų | 129.5 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -136.9 | 132.2 | 149.5 | -95.2 | -170.8 | 173.1 | -103 | -2.5 | 110.9 | ||||
| 141 | Q | 32.6 | Very low | 35.2 | Very low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | trans | -142.6 | 105.5 | -172.7 | -179.6 | -178 | 10.6 | 0 | 0 | 109.6 | ||||
| 142 | I | 34.2 | Very low | 35.5 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -146.7 | 137.2 | 172.3 | -51.6 | 179.9 | 0 | 0 | 0 | 107.1 | ||||
| 143 | G | 32.8 | Very low | 35.9 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | trans | -123.2 | -144 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 144 | P | 54.6 | Low | 36.4 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | cis | -131.9 | -152.9 | -26.9 | 29.9 | -6.9 | 0 | 0 | 0 | 111.2 | ||||
| 145 | V | 36.9 | Very low | 36.5 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | 80 | 140.3 | 163.9 | -166.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 146 | P | 43.4 | Very low | 36.6 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | cis | -132 | -176 | -43.8 | 39.9 | -22.2 | 0 | 0 | 0 | 112.6 | ||||
| 147 | G | 30.6 | Very low | 36.8 | Very low | 72 Ų | 72 | 142.3 Ų | 142.3 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 148.9 | 120.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 148 | S | 36.1 | Very low | 36.7 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 46.9 | 116.2 | 157.1 | -152.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 149 | L | 39.8 | Very low | 36.9 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | -92.2 | 132.7 | 165.3 | -68.8 | 171.9 | 0 | 0 | 0 | 111 | ||||
| 150 | S | 35.5 | Very low | 37.4 | Very low | 112 Ų | 112 | 154.9 Ų | 154.9 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -159 | 93.6 | 160.5 | -81.6 | 0 | 0 | 0 | 0 | 110.8 | L152 | S150-L152 PolarHBondContact O-N 2.92Š| ||
| 151 | S | 34.5 | Very low | 37.5 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -73.3 | 110.1 | 173.9 | -75.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 152 | L | 38.8 | Very low | 38 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | trans | -139 | 58.5 | 172.8 | -137.9 | 168.5 | 0 | 0 | 0 | 111 | S150 H154 | S150-L152 PolarHBondContact O-N 2.92Å; L152-H154 VanDerWaalsContact C-N 3.29Å; L152-H154 WeakPolarHBondContact CD2-CE1 3.22Å; L152-H154 WeakPolarHBondContact CD2-ND1 3.49Å; L152-H154 PolarHBondContact O-N 2.93Å | ||
| 153 | L | 38.1 | Very low | 38.6 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -68.1 | 84.1 | 175.1 | -77.6 | 173.4 | 0 | 0 | 0 | 111.1 | L155 | L153-L155 PolarHBondContact O-N 3.38Å; L153-L155 VanDerWaalsContact O-N 3.13Å | ||
| 154 | H | 41.3 | Very low | 39.2 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | -56.1 | 114 | 156.1 | -79 | 90.8 | 0 | 0 | 0 | 108.5 | L152 R156 | L152-H154 VanDerWaalsContact C-N 3.29Å; L152-H154 WeakPolarHBondContact CD2-CE1 3.22Å; L152-H154 WeakPolarHBondContact CD2-ND1 3.49Å; L152-H154 PolarHBondContact O-N 2.93Å; H154-R156 PolarHBondContact O-N 2.89Å | ||
| 155 | L | 31.9 | Very low | 38.5 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -72.6 | 80.1 | 176.8 | -170.9 | 67.9 | 0 | 0 | 0 | 109.4 | L153 N157 | L153-L155 PolarHBondContact O-N 3.38Å; L153-L155 VanDerWaalsContact O-N 3.13Å; L155-N157 PolarHBondContact O-N 3.41Å | ||
| 156 | R | 36.7 | Very low | 38.6 | Very low | 227 Ų | 227 | 151.4 Ų | 151.4 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -54.9 | 113.8 | 179.7 | -176.7 | 176.4 | -177 | 170.5 | 1.9 | 109.1 | H154 R158 | H154-R156 PolarHBondContact O-N 2.89Å; R156-R158 PolarHBondContact O-N 2.9Å | ||
| 157 | N | 40 | Very low | 38.9 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -53.5 | 112.2 | 177.9 | -174.5 | -4.7 | 0 | 0 | 0 | 109.1 | L155 Q159 | L155-N157 PolarHBondContact O-N 3.41Å; N157-Q159 PolarHBondContact O-N 3.2Å | ||
| 158 | R | 31.9 | Very low | 39.6 | Very low | 230 Ų | 230 | 155.5 Ų | 155.5 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | -93.8 | 95.4 | -174 | -147.1 | -179.5 | -173 | -160.5 | 0.2 | 107.6 | R156 R160 | R156-R158 PolarHBondContact O-N 2.9Å; R158-R160 PolarHBondContact O-N 3.01Å | ||
| 159 | Q | 37.6 | Very low | 39.6 | Very low | 188 Ų | 188 | 153 Ų | 153 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -52.4 | 108.4 | 175.6 | -172.6 | 166.3 | -3.9 | 0 | 0 | 109.2 | N157 | N157-Q159 PolarHBondContact O-N 3.2Š| ||
| 160 | R | 42.3 | Very low | 39.9 | Very low | 230 Ų | 230 | 151.9 Ų | 151.9 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 124.8 | -179.2 | -171 | -167.2 | -74.9 | -118.1 | 7.6 | 107.5 | R158 | R158-R160 PolarHBondContact O-N 3.01Š|
| 161 | Q | 38.3 | Very low | 40 | Very low | 164 Ų | 164 | 154.5 Ų | 154.5 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 132.4 | 168.9 | -72 | -75.6 | 13.4 | 0 | 0 | 109.5 | ||
| 162 | P | 42.1 | Very low | 40.6 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 143.9 | 169.5 | 29.9 | -33.1 | 0 | 0 | 0 | 109.7 | ||
| 163 | L | 47.3 | Very low | 40.9 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 146.3 | 164.5 | -67.7 | 172.3 | 0 | 0 | 0 | 107.8 | A165 | L163-A165 PolarHBondContact O-N 2.98Š|
| 164 | P | 45.3 | Very low | 41.2 | Very low | 124 Ų | 124 | 150.9 Ų | 150.9 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 136.7 | -180 | 26.6 | -34.4 | 0 | 0 | 0 | 111 | ||
| 165 | A | 39.7 | Very low | 41.2 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 146.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L163 | L163-A165 PolarHBondContact O-N 2.98Š|
| 166 | S | 39.3 | Very low | 41.6 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 143.1 | 170.4 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 167 | M | 50.2 | Low | 41.9 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 154.2 | -173.4 | -68.4 | -65 | -75.1 | 0 | 0 | 114.3 | ||
| 168 | P | 45.5 | Very low | 41.6 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 146.1 | 170.5 | 29.5 | -35.4 | 0 | 0 | 0 | 111.7 | ||
| 169 | G | 34.8 | Very low | 41.6 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -126.9 | 119.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L171 | G169-L171 PolarHBondContact O-N 3.39Š| ||
| 170 | T | 47.7 | Very low | 41.5 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 120 | 178.5 | 50 | 0 | 0 | 0 | 0 | 111 | ||
| 171 | L | 37.7 | Very low | 41.2 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 88% | 0.88 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 136.7 | 172.5 | -69.9 | 171.7 | 0 | 0 | 0 | 111 | G169 | G169-L171 PolarHBondContact O-N 3.39Š|
| 172 | P | 47 | Very low | 40.9 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76 | 144.9 | 164.9 | 32.3 | -33.1 | 0 | 0 | 0 | 110.9 | P174 | P172-P174 WeakPolarHBondContact O-CD 3.41Š|
| 173 | D | 44.1 | Very low | 40.7 | Very low | 125 Ų | 125 | 125 Ų | 125 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 130.5 | 172.7 | 177.4 | 56.1 | 0 | 0 | 0 | 111.8 | T175 | D173-T175 PolarHBondContact OD2-N 3.39Å; D173-T175 PolarHBondContact OD2-OG1 3.25Å |
| 174 | P | 45.7 | Very low | 40 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -102.3 | 82.1 | 169 | 36.4 | -27.3 | 0 | 0 | 0 | 111.1 | P172 | P172-P174 WeakPolarHBondContact O-CD 3.41Š| ||
| 175 | T | 40.1 | Very low | 39.8 | Very low | 108 Ų | 108 | 125 Ų | 125 | 66% | 0.663 | 79% | 0.792 | S | S | * | * | trans | -70.3 | 151 | 169.6 | -10.7 | 0 | 0 | 0 | 0 | 111.5 | D173 | D173-T175 PolarHBondContact OD2-N 3.39Å; D173-T175 PolarHBondContact OD2-OG1 3.25Å | ||
| 176 | M | 39.6 | Very low | 39.8 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | 71.5 | 167.2 | 167.9 | -54.9 | -73.4 | -77.8 | 0 | 0 | 116.9 | ||||
| 177 | P | 44.1 | Very low | 39.8 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | -124.1 | 169 | -61.5 | 37.5 | -24.6 | 0 | 0 | 0 | 112.1 | |||||
| 178 | G | 34 | Very low | 39.3 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -72.6 | 155.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 179 | S | 31.6 | Very low | 38.7 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 92% | 0.923 | 81% | 0.806 | S | S | * | * | trans | -144.3 | 133.3 | 160.2 | -80.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 180 | S | 36.3 | Very low | 38.7 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -100.7 | 136.5 | -167.6 | -170 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 181 | A | 34.4 | Very low | 38 | Very low | 95 Ų | 95 | 141 Ų | 141 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -126.3 | 130.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 182 | V | 33.3 | Very low | 38.3 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 76% | 0.758 | 81% | 0.805 | S | S | * | * | trans | -80.7 | 130.9 | -172.9 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 183 | L | 36.2 | Very low | 37.6 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -80 | 120.8 | 168.1 | -71.4 | 173.1 | 0 | 0 | 0 | 110.5 | ||||
| 184 | M | 33 | Very low | 37.3 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | trans | -106.2 | 127.6 | 165.2 | -76.4 | -71.3 | -162.1 | 0 | 0 | 109.2 | ||||
| 185 | P | 41.1 | Very low | 36.9 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -79.8 | 135 | 171.8 | 31.9 | -32 | 0 | 0 | 0 | 110.7 | ||||
| 186 | M | 39.2 | Very low | 36.7 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 93% | 0.931 | 83% | 0.826 | S | S | * | * | trans | -117.6 | 111.5 | 171.6 | -82.5 | -171.5 | 164.2 | 0 | 0 | 110.7 | ||||
| 187 | E | 40 | Very low | 36.6 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 91% | 0.907 | 83% | 0.833 | S | S | * | * | trans | -96.6 | 124.9 | 165.8 | -64.9 | -176 | -179.3 | 0 | 0 | 109.6 | ||||
| 188 | R | 39.1 | Very low | 36.1 | Very low | 210 Ų | 210 | 144.2 Ų | 144.2 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | trans | -152.9 | 108 | 165.4 | -166.3 | 169.9 | -173.8 | 83.4 | -0 | 111.9 | M190 | R188-M190 HydrophobicContact CB-CE 4.38Å; R188-M190 HydrophobicContact CG-CE 4.3Å; R188-M190 HydrophobicContact CG-SD 4.25Å | ||
| 189 | Q | 34.3 | Very low | 36.4 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | trans | -69.2 | 141.4 | 164.4 | -64.1 | -178.8 | -76.9 | 0 | 0 | 109.8 | ||||
| 190 | M | 35 | Very low | 37.1 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 77% | 0.768 | 83% | 0.831 | S | S | * | * | trans | -101.1 | 137.6 | 172.1 | -49.6 | -57.3 | 173.6 | 0 | 0 | 108.6 | R188 | R188-M190 HydrophobicContact CB-CE 4.38Å; R188-M190 HydrophobicContact CG-CE 4.3Å; R188-M190 HydrophobicContact CG-SD 4.25Å | ||
| 191 | S | 33.2 | Very low | 36.8 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -127.4 | 132.8 | 178.8 | -175.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 192 | M | 43.1 | Very low | 37.2 | Very low | 186 Ų | 186 | 149 Ų | 149 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | trans | -144.8 | 145 | 169.2 | -60.9 | -67.9 | 176.9 | 0 | 0 | 106 | ||||
| 193 | G | 33 | Very low | 37 | Very low | 71 Ų | 71 | 146.8 Ų | 146.8 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | cis | 139.1 | 89 | 3.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 194 | S | 36.7 | Very low | 36.9 | Very low | 123 Ų | 123 | 147 Ų | 147 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -141.4 | 140.7 | -176.7 | -65.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 195 | N | 37.2 | Very low | 36.7 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -105.9 | 146.7 | -172.6 | -59.6 | -22.9 | 0 | 0 | 0 | 112.3 | ||||
| 196 | M | 35.5 | Very low | 36.2 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | 178.7 | 146.1 | 107.4 | 65.8 | -179.3 | 87.7 | 0 | 0 | 114.7 | |||||
| 197 | M | 38.3 | Very low | 35.9 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | trans | 29.9 | 122.6 | 141.6 | -58.9 | -70.6 | -82.8 | 0 | 0 | 121.2 | ||||
| 198 | G | 33.3 | Very low | 35.2 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 168 | 130.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 199 | M | 40.3 | Very low | 34.8 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -151.9 | 157.9 | 177.9 | -73.7 | -76.7 | -173.6 | 0 | 0 | 109.1 | ||||
| 200 | P | 47 | Very low | 34.7 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | cis | -135.2 | 170.5 | -26.8 | 39.3 | -23.7 | 0 | 0 | 0 | 114.6 | ||||
| 201 | S | 28.5 | Very low | 34.7 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 68.7 | 158.4 | 153.6 | -68.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 202 | P | 44.8 | Very low | 34.9 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | cis | -137.8 | 178.7 | -29.6 | 37.7 | -20.5 | 0 | 0 | 0 | 115.7 | ||||
| 203 | A | 29 | Very low | 34.7 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | trans | 95.5 | 157.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 204 | H | 32.5 | Very low | 35 | Very low | 173 Ų | 173 | 130.5 Ų | 130.5 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | 78.3 | 79.2 | 169.2 | -56.1 | -68.8 | 0 | 0 | 0 | 120.9 | ||||
| 205 | S | 30.4 | Very low | 35.4 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | 35.5 | 110.9 | 123.7 | 59.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 206 | N | 29.8 | Very low | 35.6 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | -174.9 | 152 | 99.1 | -98.2 | -18.2 | 0 | 0 | 0 | 113.3 | |||||
| 207 | S | 32 | Very low | 36.3 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -94.2 | 132.6 | 172.6 | -65.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 208 | C | 26.5 | Very low | 36.9 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -148.6 | 146.9 | 148.2 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 209 | S | 31.1 | Very low | 38.1 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -105.8 | 132.3 | -179 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 210 | T | 30.8 | Very low | 38.9 | Very low | 117 Ų | 117 | 121.5 Ų | 121.5 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | trans | -112 | 107.6 | -174 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 211 | H | 35.8 | Very low | 39.6 | Very low | 164 Ų | 164 | 122.5 Ų | 122.5 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 122.7 | 173.7 | 175.7 | -62.6 | 0 | 0 | 0 | 110.5 | P213 | H211-P213 VanDerWaalsContact O-CD 3.29Å; H211-P213 WeakPolarHBondContact O-CD 3.42Å |
| 212 | I | 36.7 | Very low | 41.1 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 122.2 | 177.9 | -58.6 | -65.3 | 0 | 0 | 0 | 111 | ||
| 213 | P | 40.3 | Very low | 41.6 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 150.6 | 171.8 | -10.9 | 29.8 | 0 | 0 | 0 | 112.3 | H211 | H211-P213 VanDerWaalsContact O-CD 3.29Å; H211-P213 WeakPolarHBondContact O-CD 3.42Å |
| 214 | S | 38.9 | Very low | 42.6 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 127.4 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 112.5 | H216 | S214-H216 PolarHBondContact O-N 2.94Š|
| 215 | M | 44.1 | Very low | 43.5 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 74% | 0.739 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -16 | -178.7 | -70.3 | -66.7 | -68.2 | 0 | 0 | 115.3 | S217 | M215-S217 VanDerWaalsContact C-N 3.35Å; M215-S217 PolarHBondContact O-N 3.49Å |
| 216 | H | 42.9 | Very low | 44.4 | Very low | 163 Ų | 163 | 122.6 Ų | 122.6 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -12.4 | -164.8 | -136.9 | -53.3 | 0 | 0 | 0 | 115.1 | S214 | S214-H216 PolarHBondContact O-N 2.94Š|
| 217 | S | 49.7 | Very low | 45.2 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | -39.3 | 177.5 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | M215 A219 K220 L221 | M215-S217 VanDerWaalsContact C-N 3.35Å; M215-S217 PolarHBondContact O-N 3.49Å; S217-A219 PolarHBondContact O-N 2.89Å; S217-K220 PolarHBondContact O-N 2.9Å; S217-K220 VanDerWaalsContact O-N 3.14Å; S217-L221 PolarHBondContact O-N 3.48Å |
| 218 | E | 51.3 | Low | 46 | Very low | 87 Ų | 87 | 119 Ų | 119 | 41% | 0.407 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -66.9 | -41.4 | -169 | -158.3 | -163.9 | 125.3 | 0 | 0 | 112.4 | K220 L221 R222 | E218-K220 PolarHBondContact O-N 2.81Å; E218-K220 VanDerWaalsContact O-N 3.16Å; E218-L221 PolarHBondContact O-N 2.72Å; E218-R222 HydrophobicContact CG-CG 4.49Å; E218-R222 WeakPolarHBondContact O-CG 3.45Å; E218-R222 PolarHBondContact O-N 3.4Å; E218-R222 WeakPolarHBondContact OE1-CD 3.37Å; E218-R222 IonicContact OE1-CZ 3.61Å; E218-R222 IonicContact OE1-NE 2.78Å; E218-R222 IonicContact OE1-NH1 3.64Å; E218-R222 PolarHBondContact OE1-NH1 3.4Å |
| 219 | A | 58.2 | Low | 46.9 | Very low | 62 Ų | 62 | 120.7 Ų | 120.7 | 51% | 0.512 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -54.9 | -35 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S217 L223 | S217-A219 PolarHBondContact O-N 2.89Å; A219-L223 PolarHBondContact O-N 3.22Å; A219-L223 VanDerWaalsContact O-N 3.15Å |
| 220 | K | 57.1 | Low | 47.3 | Very low | 168 Ų | 168 | 122 Ų | 122 | 73% | 0.73 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.1 | -25.2 | 178.8 | -156.9 | 168.4 | 69.3 | -179.6 | 0 | 112.9 | S217 E218 K224 | S217-K220 PolarHBondContact O-N 2.9Å; S217-K220 VanDerWaalsContact O-N 3.14Å; E218-K220 PolarHBondContact O-N 2.81Å; E218-K220 VanDerWaalsContact O-N 3.16Å; K220-K224 PolarHBondContact O-N 2.88Å |
| 221 | L | 60.2 | Low | 47.8 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 67% | 0.665 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.5 | -42.5 | 168.7 | -99.7 | 75.5 | 0 | 0 | 0 | 111.9 | S217 E218 L223 K224 A225 | S217-L221 PolarHBondContact O-N 3.48Å; E218-L221 PolarHBondContact O-N 2.72Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 3.3Å; L221-K224 WeakPolarHBondContact O-CA 3.38Å; L221-K224 VanDerWaalsContact O-CB 3.3Å; L221-K224 WeakPolarHBondContact O-CB 3.4Å; L221-K224 PolarHBondContact O-N 2.89Å; L221-A225 PolarHBondContact O-N 2.98Å |
| 222 | R | 59.9 | Low | 47.6 | Very low | 173 Ų | 173 | 119 Ų | 119 | 65% | 0.653 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63 | -38.1 | -179.6 | -65.4 | 178.2 | 98.9 | 143.5 | -3.4 | 111.7 | E218 K224 A225 A226 | E218-R222 HydrophobicContact CG-CG 4.49Å; E218-R222 WeakPolarHBondContact O-CG 3.45Å; E218-R222 PolarHBondContact O-N 3.4Å; E218-R222 WeakPolarHBondContact OE1-CD 3.37Å; E218-R222 IonicContact OE1-CZ 3.61Å; E218-R222 IonicContact OE1-NE 2.78Å; E218-R222 IonicContact OE1-NH1 3.64Å; E218-R222 PolarHBondContact OE1-NH1 3.4Å; R222-K224 VanDerWaalsContact C-N 3.33Å; R222-K224 PolarHBondContact O-N 3.37Å; R222-A225 PolarHBondContact O-N 3.38Å; R222-A226 WeakPolarHBondContact O-CB 3.33Å; R222-A226 PolarHBondContact O-N 2.74Å |
| 223 | L | 55.5 | Low | 47.6 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 63% | 0.628 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -64.6 | -31.5 | 170.2 | -108.7 | 157 | 0 | 0 | 0 | 113.7 | A219 L221 | A219-L223 PolarHBondContact O-N 3.22Å; A219-L223 VanDerWaalsContact O-N 3.15Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 3.3Å |
| 224 | K | 50.9 | Low | 47.7 | Very low | 166 Ų | 166 | 119.9 Ų | 119.9 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -72 | -41.1 | 175.8 | -167 | 78.2 | 175 | -175.5 | 0 | 111.4 | K220 L221 R222 L227 | K220-K224 PolarHBondContact O-N 2.88Å; L221-K224 WeakPolarHBondContact O-CA 3.38Å; L221-K224 VanDerWaalsContact O-CB 3.3Å; L221-K224 WeakPolarHBondContact O-CB 3.4Å; L221-K224 PolarHBondContact O-N 2.89Å; R222-K224 VanDerWaalsContact C-N 3.33Å; R222-K224 PolarHBondContact O-N 3.37Å; K224-L227 PolarHBondContact O-N 2.99Å |
| 225 | A | 51.6 | Low | 48.5 | Very low | 54 Ų | 54 | 120.8 Ų | 120.8 | 45% | 0.446 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -74.1 | -31.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | L221 R222 L227 S228 | L221-A225 PolarHBondContact O-N 2.98Å; R222-A225 PolarHBondContact O-N 3.38Å; A225-L227 PolarHBondContact O-N 3.49Å; A225-S228 PolarHBondContact O-N 3.24Å; A225-S228 PolarHBondContact O-OG 3.06Å |
| 226 | A | 49.9 | Very low | 48.4 | Very low | 68 Ų | 68 | 121.6 Ų | 121.6 | 56% | 0.562 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.2 | -27 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | R222 | R222-A226 WeakPolarHBondContact O-CB 3.33Å; R222-A226 PolarHBondContact O-N 2.74Å |
| 227 | L | 44.8 | Very low | 48.3 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -3.1 | -178.4 | -70 | 169.3 | 0 | 0 | 0 | 114.3 | K224 A225 | K224-L227 PolarHBondContact O-N 2.99Å; A225-L227 PolarHBondContact O-N 3.49Å |
| 228 | S | 49.4 | Very low | 48 | Very low | 80 Ų | 80 | 119.9 Ų | 119.9 | 56% | 0.559 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -98.5 | 1.7 | -177.8 | 52.4 | 0 | 0 | 0 | 0 | 115.2 | A225 | A225-S228 PolarHBondContact O-N 3.24Å; A225-S228 PolarHBondContact O-OG 3.06Å |
| 229 | H | 44.8 | Very low | 47.5 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -112.8 | 43.2 | -177.1 | -74.5 | -70.2 | 0 | 0 | 0 | 114.2 | ||||
| 230 | H | 40.1 | Very low | 47.2 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | -124.8 | 116 | 165.7 | -60.3 | -25.4 | 0 | 0 | 0 | 109.2 | ||||
| 231 | P | 40.7 | Very low | 47 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -79.3 | 140.8 | 179 | 31.8 | -33.5 | 0 | 0 | 0 | 111.4 | ||||
| 232 | G | 33.3 | Very low | 46.8 | Very low | 83 Ų | 83 | 125.6 Ų | 125.6 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | trans | 106.4 | 94.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 233 | A | 36.5 | Very low | 46.4 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | trans | -123.6 | 112.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 234 | I | 42.1 | Very low | 46.2 | Very low | 167 Ų | 167 | 120.2 Ų | 120.2 | 86% | 0.856 | 72% | 0.718 | S | S | * | * | trans | -136.3 | 141.4 | 169.8 | -67.3 | -64 | 0 | 0 | 0 | 106.5 | ||||
| 235 | P | 54.2 | Low | 46.1 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | trans | -101.1 | 157.8 | -145.6 | 37.5 | -36.5 | 0 | 0 | 0 | 116.5 | ||||
| 236 | N | 43.4 | Very low | 46.2 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | trans | 53 | 82.4 | 144 | -170.2 | 58.4 | 0 | 0 | 0 | 118.2 | ||||
| 237 | G | 40.1 | Very low | 46.2 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | trans | -177.5 | 126.8 | 163 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 238 | N | 44.1 | Very low | 46.6 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 51.8 | 103.6 | 157.9 | -163.9 | 43.6 | 0 | 0 | 0 | 119.6 | N240 | N238-N240 PolarHBondContact O-N 3.14Š| ||
| 239 | M | 40.5 | Very low | 46.6 | Very low | 176 Ų | 176 | 130.9 Ų | 130.9 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | -91.5 | 86.5 | 177.6 | -68 | -172 | 76 | 0 | 0 | 114.2 | S241 | M239-S241 VanDerWaalsContact C-N 3.3Å; M239-S241 PolarHBondContact O-N 3.48Å | ||
| 240 | N | 51.8 | Low | 46.7 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | trans | -90.3 | 48.5 | 169.1 | -81.6 | -9.6 | 0 | 0 | 0 | 113 | N238 M242 | N238-N240 PolarHBondContact O-N 3.14Å; N240-M242 VanDerWaalsContact C-N 3.26Å; N240-M242 PolarHBondContact O-N 2.89Å | ||
| 241 | S | 53 | Low | 46.9 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 62.2 | -175.5 | -157.5 | 0 | 0 | 0 | 0 | 113.3 | M239 | M239-S241 VanDerWaalsContact C-N 3.3Å; M239-S241 PolarHBondContact O-N 3.48Å |
| 242 | M | 55.7 | Low | 47.1 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.4 | -22 | 174.8 | -172.2 | 161.5 | -79.2 | 0 | 0 | 114.1 | N240 M245 | N240-M242 VanDerWaalsContact C-N 3.26Å; N240-M242 PolarHBondContact O-N 2.89Å; M242-M245 WeakPolarHBondContact O-CG 3.31Å |
| 243 | G | 52.7 | Low | 47.5 | Very low | 51 Ų | 51 | 136.2 Ų | 136.2 | 53% | 0.526 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -69.9 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | M245 M246 | G243-M245 VanDerWaalsContact C-N 3.27Å; G243-M245 PolarHBondContact O-N 3.23Å; G243-M245 VanDerWaalsContact O-N 3.17Å; G243-M246 WeakPolarHBondContact O-CB 3.31Å; G243-M246 PolarHBondContact O-N 3.16Å |
| 244 | H | 49.7 | Very low | 47.3 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 60% | 0.597 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -65.6 | -24.6 | -168.8 | -162.9 | 49.9 | 0 | 0 | 0 | 114.4 | M246 E247 | H244-M246 VanDerWaalsContact C-N 3.28Å; H244-M246 PolarHBondContact O-N 3.48Å; H244-E247 IonicContact CE1-OE2 3.96Å; H244-E247 IonicContact ND1-OE2 3.19Å; H244-E247 PolarHBondContact ND1-OE2 3.49Å |
| 245 | M | 48.9 | Very low | 47 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -73.7 | -16.8 | 173.1 | 55.6 | 172.2 | -78.3 | 0 | 0 | 113.8 | M242 G243 | M242-M245 WeakPolarHBondContact O-CG 3.31Å; G243-M245 VanDerWaalsContact C-N 3.27Å; G243-M245 PolarHBondContact O-N 3.23Å; G243-M245 VanDerWaalsContact O-N 3.17Å |
| 246 | M | 55.3 | Low | 45.9 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -91.2 | -24.8 | -179.7 | -140.8 | 166.7 | -169.8 | 0 | 0 | 112.2 | G243 H244 | G243-M246 WeakPolarHBondContact O-CB 3.31Å; G243-M246 PolarHBondContact O-N 3.16Å; H244-M246 VanDerWaalsContact C-N 3.28Å; H244-M246 PolarHBondContact O-N 3.48Å |
| 247 | E | 49.7 | Very low | 45.2 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 58% | 0.579 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -73.3 | -39.8 | -178.1 | -170 | 170.7 | -153.2 | 0 | 0 | 112.5 | H244 M249 S250 | H244-E247 IonicContact CE1-OE2 3.96Å; H244-E247 IonicContact ND1-OE2 3.19Å; H244-E247 PolarHBondContact ND1-OE2 3.49Å; E247-M249 PolarHBondContact O-N 2.95Å; E247-S250 PolarHBondContact O-N 3.2Å |
| 248 | M | 52.2 | Low | 45 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -10.8 | 179.5 | -76.2 | -73 | -154.8 | 0 | 0 | 115.5 | ||
| 249 | M | 50 | Low | 44.5 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -6.9 | 179.8 | -55.9 | -160.2 | 83 | 0 | 0 | 113.9 | E247 | E247-M249 PolarHBondContact O-N 2.95Š|
| 250 | S | 46.6 | Very low | 44.2 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -93.9 | -6.6 | -176.6 | -64.9 | 0 | 0 | 0 | 0 | 114.4 | E247 R252 | E247-S250 PolarHBondContact O-N 3.2Å; S250-R252 PolarHBondContact O-N 2.98Å |
| 251 | T | 44.4 | Very low | 43.3 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -97.5 | 27.1 | -168.6 | 49.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 252 | R | 44.9 | Very low | 42.4 | Very low | 237 Ų | 237 | 149.4 Ų | 149.4 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -134.3 | 36.6 | -177.5 | -149.3 | 178.8 | -176.6 | -94.8 | -0.7 | 116.3 | S250 | S250-R252 PolarHBondContact O-N 2.98Š|
| 253 | Q | 41.8 | Very low | 41.2 | Very low | 187 Ų | 187 | 146.4 Ų | 146.4 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | trans | -150 | 72.7 | 163.3 | -165.3 | 167.7 | 4 | 0 | 0 | 112.7 | ||||
| 254 | E | 32.7 | Very low | 40.3 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -154 | 111.8 | 161.6 | -122.7 | -67.9 | 67 | 0 | 0 | 111.4 | ||||
| 255 | Q | 34.8 | Very low | 40.7 | Very low | 201 Ų | 201 | 152.3 Ų | 152.3 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | 178.6 | 98.9 | 163.6 | -113.9 | -172.3 | 76.2 | 0 | 0 | 107.3 | ||||
| 256 | G | 31.2 | Very low | 40.1 | Very low | 66 Ų | 66 | 154.6 Ų | 154.6 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | -163.7 | 41.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 257 | S | 29.4 | Very low | 39.1 | Very low | 125 Ų | 125 | 154.6 Ų | 154.6 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 69 | 131.4 | 170.7 | -65.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 258 | H | 35.7 | Very low | 38.3 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 82% | 0.819 | 79% | 0.792 | S | S | * | * | trans | -76.3 | 154 | 168.4 | -55.1 | -104.1 | 0 | 0 | 0 | 112 | ||||
| 259 | H | 33 | Very low | 37.4 | Very low | 202 Ų | 202 | 154.4 Ų | 154.4 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | trans | -152.5 | 162.4 | 135.3 | -87.5 | -57.6 | 0 | 0 | 0 | 110 | ||||
| 260 | H | 33.9 | Very low | 36.5 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -141.4 | 129 | -158.4 | -178.5 | 85.9 | 0 | 0 | 0 | 113.6 | ||||
| 261 | M | 33.8 | Very low | 35.8 | Very low | 133 Ų | 133 | 154 Ų | 154 | 66% | 0.655 | 79% | 0.786 | S | S | * | * | trans | 57.1 | 118.3 | 158.7 | -63.9 | -67.9 | -85.2 | 0 | 0 | 121.7 | ||||
| 262 | H | 32.8 | Very low | 36.1 | Very low | 195 Ų | 195 | 154 Ų | 154 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | trans | -149.5 | 158.9 | 135.8 | -121.1 | 66.3 | 0 | 0 | 0 | 110.9 | ||||
| 263 | S | 30.6 | Very low | 36.7 | Very low | 83 Ų | 83 | 147 Ų | 147 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | trans | -155.2 | 155.3 | -166.4 | 53.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 264 | H | 34.7 | Very low | 36.4 | Very low | 178 Ų | 178 | 146 Ų | 146 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | 72.4 | 159.8 | 169.3 | -74.1 | 40.9 | 0 | 0 | 0 | 117.8 | ||||
| 265 | P | 57.1 | Low | 36.3 | Very low | 127 Ų | 127 | 144 Ų | 144 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | -129.9 | -168.4 | -8.5 | 31.3 | -8.7 | 0 | 0 | 0 | 115.6 | ||||
| 266 | H | 38.3 | Very low | 36.2 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -82.1 | 154.3 | -178.1 | -107.6 | -73 | 0 | 0 | 0 | 116.9 | ||||
| 267 | Q | 32.4 | Very low | 36.3 | Very low | 152 Ų | 152 | 149.7 Ų | 149.7 | 71% | 0.71 | 77% | 0.77 | S | S | * | * | -163.4 | 161.9 | 125 | -84 | -132.7 | 83.5 | 0 | 0 | 109.2 | |||||
| 268 | H | 33.2 | Very low | 36.6 | Very low | 150 Ų | 150 | 151.3 Ų | 151.3 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | cis | 113.6 | 153.7 | -0.8 | -172.3 | -113.4 | 0 | 0 | 0 | 116.2 | ||||
| 269 | L | 33.4 | Very low | 36.6 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 59% | 0.586 | 76% | 0.764 | S | S | * | * | trans | 68.5 | 140.2 | -168.6 | -68.9 | 103.3 | 0 | 0 | 0 | 116.7 | ||||
| 270 | Q | 32.4 | Very low | 36.7 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | cis | -159.7 | 163.8 | -16.9 | -158.5 | 157 | 47.4 | 0 | 0 | 111.6 | ||||
| 271 | A | 31.7 | Very low | 36.7 | Very low | 85 Ų | 85 | 146.1 Ų | 146.1 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | -105.6 | -154 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 272 | P | 50.1 | Low | 36.8 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | cis | -143.7 | -141.7 | 8.4 | 40.3 | -13.9 | 0 | 0 | 0 | 113.5 | ||||
| 273 | P | 56.8 | Low | 36.8 | Very low | 89 Ų | 89 | 146 Ų | 146 | 58% | 0.578 | 75% | 0.753 | S | S | * | * | -127.5 | -162.3 | -63 | 27.8 | -5.3 | 0 | 0 | 0 | 115.2 | |||||
| 274 | H | 36 | Very low | 36.9 | Very low | 165 Ų | 165 | 149.8 Ų | 149.8 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 96.3 | 134 | 162.6 | -50.4 | -66.7 | 0 | 0 | 0 | 116.6 | ||||
| 275 | T | 31.6 | Very low | 36.8 | Very low | 133 Ų | 133 | 145.2 Ų | 145.2 | 82% | 0.816 | 75% | 0.75 | S | S | * | * | cis | -152.6 | 169 | -3.4 | 0.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 276 | Y | 32.8 | Very low | 35.8 | Very low | 207 Ų | 207 | 148.9 Ų | 148.9 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -71.6 | 152.6 | -179.6 | -91.6 | -110.4 | 0 | 0 | 0 | 115.4 | ||||
| 277 | Q | 31.8 | Very low | 35.5 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | -156.5 | 141.9 | 124.8 | -141.6 | 167.1 | 1.3 | 0 | 0 | 114 | |||||
| 278 | H | 35.9 | Very low | 35.9 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 73% | 0.731 | 76% | 0.764 | S | S | * | * | trans | -83.4 | 151.2 | 171.7 | -99.4 | -109.1 | 0 | 0 | 0 | 111.5 | ||||
| 279 | H | 36.8 | Very low | 35.8 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -153.8 | 147.2 | 149.3 | -94.7 | 100.1 | 0 | 0 | 0 | 111.5 | ||||
| 280 | G | 34.7 | Very low | 36 | Very low | 62 Ų | 62 | 146.9 Ų | 146.9 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | trans | -177 | 136.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 281 | H | 33.7 | Very low | 36 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -156.6 | -179.9 | 170.5 | -99.8 | -53.8 | 0 | 0 | 0 | 111 | ||||
| 282 | H | 35.1 | Very low | 36.2 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | trans | -146.2 | 155.8 | -156.2 | -136.8 | 55.9 | 0 | 0 | 0 | 112.7 | ||||
| 283 | H | 32.9 | Very low | 35.5 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 67.4 | 163.5 | 178.9 | -60.1 | -68.3 | 0 | 0 | 0 | 115.8 | ||||
| 284 | H | 33.8 | Very low | 34.5 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | cis | -152.1 | 168.9 | 20.3 | -163.7 | 62.7 | 0 | 0 | 0 | 115 | ||||
| 285 | S | 31.5 | Very low | 34.5 | Very low | 82 Ų | 82 | 149.3 Ų | 149.3 | 57% | 0.573 | 79% | 0.79 | S | S | * | * | trans | 40.3 | 109.6 | 157.5 | 59 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 286 | Q | 36.9 | Very low | 35.6 | Very low | 203 Ų | 203 | 148.1 Ų | 148.1 | 95% | 0.949 | 79% | 0.785 | S | S | * | * | 38.3 | 122.9 | 105.7 | -171 | 174.9 | 67.5 | 0 | 0 | 121 | |||||
| 287 | G | 32.8 | Very low | 35.8 | Very low | 76 Ų | 76 | 147.7 Ų | 147.7 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -178.5 | 144.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 288 | H | 40.5 | Very low | 35.8 | Very low | 206 Ų | 206 | 141.9 Ų | 141.9 | 95% | 0.954 | 78% | 0.778 | S | S | * | * | trans | -78.1 | 158.7 | -172.1 | -82.4 | -80 | 0 | 0 | 0 | 116.5 | ||||
| 289 | G | 30.8 | Very low | 35.8 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -155.9 | 148 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 290 | Q | 37.3 | Very low | 35.8 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | trans | -110.1 | 159.2 | -174.8 | -67.6 | -177.1 | -3.7 | 0 | 0 | 113.2 | ||||
| 291 | G | 33.2 | Very low | 36.5 | Very low | 80 Ų | 80 | 144.6 Ų | 144.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -155.3 | 124.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 292 | T | 35 | Very low | 36.7 | Very low | 98 Ų | 98 | 144 Ų | 144 | 60% | 0.601 | 79% | 0.787 | S | S | * | * | trans | -97.7 | 152.4 | -175.1 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 293 | H | 36.2 | Very low | 36.9 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | -164.8 | 170.3 | 148.2 | -93.2 | -40.5 | 0 | 0 | 0 | 113.5 | ||||
| 294 | H | 35.8 | Very low | 36.8 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | -141.6 | 172.6 | -150.9 | -35.6 | 121.7 | 0 | 0 | 0 | 111.8 | ||||
| 295 | H | 35.5 | Very low | 36.8 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | cis | -134.5 | -76.5 | 8.2 | -178.1 | 16.6 | 0 | 0 | 0 | 117.2 | ||||
| 296 | P | 53.9 | Low | 36.9 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -128.1 | 165 | -144.5 | 35.3 | -15 | 0 | 0 | 0 | 118 | ||||
| 297 | Q | 38.4 | Very low | 36.9 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -98.4 | 165.1 | 172.8 | -175.8 | 157 | 5.4 | 0 | 0 | 111.3 | ||||
| 298 | G | 30.2 | Very low | 37.7 | Very low | 56 Ų | 56 | 142.9 Ų | 142.9 | 58% | 0.577 | 78% | 0.78 | S | S | * | * | trans | -164.5 | 131.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 299 | H | 36.8 | Very low | 37.4 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | trans | -179.8 | 152.6 | 133.6 | -97.9 | 83.6 | 0 | 0 | 0 | 110.2 | ||||
| 300 | N | 37.1 | Very low | 37.7 | Very low | 145 Ų | 145 | 145 Ų | 145 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | trans | -80.8 | 155.3 | -171.7 | -81.8 | -9.6 | 0 | 0 | 0 | 114.1 | ||||
| 301 | P | 50 | Low | 37.5 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -77.7 | 147.9 | 156 | 34.6 | -32.4 | 0 | 0 | 0 | 110.6 | ||||
| 302 | H | 37.3 | Very low | 37.8 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -124.3 | 128.6 | 162.8 | -114.9 | -88 | 0 | 0 | 0 | 110.4 | ||||
| 303 | H | 38.6 | Very low | 37.5 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -94.7 | 133 | 178.7 | 169.3 | -78.7 | 0 | 0 | 0 | 109.3 | ||||
| 304 | N | 32.1 | Very low | 37.5 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -142 | 139.8 | 155 | -156 | 7.9 | 0 | 0 | 0 | 111.2 | ||||
| 305 | S | 33.2 | Very low | 38.1 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 54% | 0.538 | 77% | 0.771 | S | S | . | * | trans | -97.1 | 169 | 171.2 | -173.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 306 | H | 34.2 | Very low | 37.9 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | -168.6 | 160.4 | 127.4 | -101.6 | 83.9 | 0 | 0 | 0 | 110.2 | |||||
| 307 | N | 35.8 | Very low | 36.9 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -94 | 164.1 | -166.3 | -131.2 | 12.9 | 0 | 0 | 0 | 112.5 | ||||
| 308 | P | 50.9 | Low | 36.6 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -86.3 | 165.3 | -174.9 | 36.4 | -35.4 | 0 | 0 | 0 | 113.2 | ||||
| 309 | H | 33.7 | Very low | 36.6 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -123.6 | 129 | 162.8 | -151.4 | -59.2 | 0 | 0 | 0 | 110.2 | ||||
| 310 | L | 37.6 | Very low | 36.7 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | -97.7 | 148.8 | 169.3 | -67.1 | 165 | 0 | 0 | 0 | 109 | ||||
| 311 | L | 31.9 | Very low | 36.6 | Very low | 162 Ų | 162 | 143 Ų | 143 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -169.9 | 158.7 | 136.6 | -117.7 | 107.7 | 0 | 0 | 0 | 109.5 | ||||
| 312 | P | 40.2 | Very low | 36.6 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -129.4 | 162.7 | -155.6 | 41.2 | -26.7 | 0 | 0 | 0 | 117.6 | ||||
| 313 | G | 28 | Very low | 37 | Very low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | trans | 95.8 | 129.8 | 147 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 314 | H | 35.5 | Very low | 36.6 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | -177.4 | 163.5 | 99.3 | -97.3 | -80.3 | 0 | 0 | 0 | 111.1 | |||||
| 315 | P | 48.3 | Very low | 36.9 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | -118.9 | 147.6 | -166.4 | 39.4 | -28.2 | 0 | 0 | 0 | 116.5 | ||||
| 316 | H | 33 | Very low | 36.7 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -144.9 | 138.7 | 154.3 | -87.5 | -92.7 | 0 | 0 | 0 | 107.8 | ||||
| 317 | Q | 31.5 | Very low | 36.6 | Very low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | cis | 75.6 | 83.8 | 26.8 | -79.2 | -74.1 | 95.5 | 0 | 0 | 117.2 | ||||
| 318 | T | 32.9 | Very low | 36.3 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -154 | 152 | 144.9 | 38.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 319 | S | 30.9 | Very low | 35.9 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -63.3 | 160.9 | -170.6 | -89.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 320 | P | 38.5 | Very low | 36.3 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -87.3 | 153.5 | 166.9 | 36.6 | -34.2 | 0 | 0 | 0 | 113.4 | ||||
| 321 | H | 34.4 | Very low | 36.1 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -122.7 | 141.6 | 163.4 | -79.2 | -100.6 | 0 | 0 | 0 | 110.2 | ||||
| 322 | P | 50.8 | Low | 36.4 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 144.6 | -177.5 | 34.2 | -34.3 | 0 | 0 | 0 | 113.1 | ||
| 323 | P | 44 | Very low | 36.6 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 147.1 | 167.3 | 32.3 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 324 | M | 31.4 | Very low | 37.2 | Very low | 181 Ų | 181 | 146 Ų | 146 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 141.8 | 179.5 | -73 | -94.3 | 75.7 | 0 | 0 | 112.5 | S326 | M324-S326 PolarHBondContact O-N 3.29Š|
| 325 | H | 37.7 | Very low | 37.4 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 82% | 0.819 | 81% | 0.807 | S | S | * | * | trans | -84.6 | 107.6 | 178.1 | -143.7 | -108.4 | 0 | 0 | 0 | 110 | ||||
| 326 | S | 29.4 | Very low | 37 | Very low | 121 Ų | 121 | 148 Ų | 148 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -101.1 | 116.2 | 174.6 | -163 | 0 | 0 | 0 | 0 | 110.1 | M324 | M324-S326 PolarHBondContact O-N 3.29Š| ||
| 327 | Q | 32 | Very low | 37.3 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -83.3 | 138.6 | -175.2 | -65 | -175.8 | -2.3 | 0 | 0 | 111.8 | ||||
| 328 | M | 30.4 | Very low | 37.5 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 82% | 0.823 | 80% | 0.804 | S | S | * | * | trans | -134.2 | 126 | 159.8 | 65 | 96.1 | 76.2 | 0 | 0 | 109 | ||||
| 329 | S | 40.7 | Very low | 38.1 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -116.1 | 119.5 | -170.9 | -62.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 330 | P | 42.8 | Very low | 38.5 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 120.3 | 161.8 | -12.4 | 29 | 0 | 0 | 0 | 109.4 | T332 | P330-T332 PolarHBondContact O-N 3.18Š| ||
| 331 | A | 33.6 | Very low | 39 | Very low | 101 Ų | 101 | 146.7 Ų | 146.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -67.6 | 125.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q333 | A331-Q333 PolarHBondContact O-N 3.34Š| ||
| 332 | T | 37.5 | Very low | 39.3 | Very low | 133 Ų | 133 | 147 Ų | 147 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -71.6 | 108.9 | 176.3 | 51 | 0 | 0 | 0 | 0 | 110.7 | P330 Q334 | P330-T332 PolarHBondContact O-N 3.18Å; T332-Q334 PolarHBondContact O-N 2.75Å | ||
| 333 | Q | 44.9 | Very low | 38.5 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -74.6 | 111.3 | 171.5 | -140.2 | 174.8 | 110.4 | 0 | 0 | 109.3 | A331 M335 | A331-Q333 PolarHBondContact O-N 3.34Å; Q333-M335 PolarHBondContact O-N 3.14Å | ||
| 334 | Q | 41.3 | Very low | 38.5 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -82.9 | 105.7 | -167.6 | -174.7 | -172.6 | 101.3 | 0 | 0 | 111.4 | T332 | T332-Q334 PolarHBondContact O-N 2.75Š| ||
| 335 | M | 39.9 | Very low | 39.2 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -93 | 119.8 | 166.3 | -73.4 | -71.4 | -74.7 | 0 | 0 | 109.4 | Q333 | Q333-M335 PolarHBondContact O-N 3.14Š| ||
| 336 | Q | 38.7 | Very low | 39.7 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -74 | 136.4 | 178.5 | -63.5 | -179.1 | 5.3 | 0 | 0 | 111.3 | T338 | Q336-T338 PolarHBondContact O-N 2.93Š| ||
| 337 | P | 39.4 | Very low | 40.5 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -81.7 | 109.1 | 165.6 | 31.5 | -30.1 | 0 | 0 | 0 | 110 | Q339 | P337-Q339 PolarHBondContact O-N 3.36Š| ||
| 338 | T | 36.6 | Very low | 41.1 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -62.5 | 120.6 | 171 | -57.7 | 0 | 0 | 0 | 0 | 110.1 | Q336 T340 | Q336-T338 PolarHBondContact O-N 2.93Å; T338-T340 PolarHBondContact O-N 2.64Å; T338-T340 VanDerWaalsContact O-N 3.15Å | ||
| 339 | Q | 46.2 | Very low | 41.5 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -69.4 | 105.9 | 180 | -71.7 | -108.8 | 88.8 | 0 | 0 | 111.6 | P337 | P337-Q339 PolarHBondContact O-N 3.36Š| ||
| 340 | T | 38.4 | Very low | 41.6 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | trans | -113.9 | 103.3 | 163.2 | 46.1 | 0 | 0 | 0 | 0 | 110.2 | T338 Q342 | T338-T340 PolarHBondContact O-N 2.64Å; T338-T340 VanDerWaalsContact O-N 3.15Å; T340-Q342 PolarHBondContact O-N 3.1Å | ||
| 341 | L | 48.2 | Very low | 42 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -68.5 | 99.7 | 177.1 | -80.4 | 155 | 0 | 0 | 0 | 110.8 | ||||
| 342 | Q | 40.8 | Very low | 42.8 | Very low | 186 Ų | 186 | 149.1 Ų | 149.1 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -161.2 | 83.7 | 159.3 | -113.6 | 155 | 101.7 | 0 | 0 | 111 | T340 P344 | T340-Q342 PolarHBondContact O-N 3.1Å; Q342-P344 WeakPolarHBondContact O-CD 3.47Å | ||
| 343 | S | 35.4 | Very low | 43.5 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 121.8 | 168.3 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | ||
| 344 | P | 44.2 | Very low | 44.2 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143.3 | 167.2 | -19.6 | 32.6 | 0 | 0 | 0 | 109.7 | Q342 A346 | Q342-P344 WeakPolarHBondContact O-CD 3.47Å; P344-A346 PolarHBondContact O-N 3.36Å |
| 345 | P | 44.2 | Very low | 45.1 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 133.1 | -179.3 | 25.1 | -33.7 | 0 | 0 | 0 | 110.4 | S347 | P345-S347 PolarHBondContact O-N 2.86Š|
| 346 | A | 49.2 | Very low | 46.2 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 88% | 0.876 | 80% | 0.795 | S | S | * | * | trans | -70.9 | 70.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P344 G348 | P344-A346 PolarHBondContact O-N 3.36Å; A346-G348 VanDerWaalsContact C-N 3.34Å; A346-G348 PolarHBondContact O-N 3.26Å | ||
| 347 | S | 45.6 | Very low | 47.7 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -63.8 | 97.6 | 170.1 | -171 | 0 | 0 | 0 | 0 | 107.8 | P345 G349 | P345-S347 PolarHBondContact O-N 2.86Å; S347-G349 PolarHBondContact O-N 3.24Å | ||
| 348 | G | 44.7 | Very low | 50 | Low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | trans | -50.5 | 126.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A346 R350 | A346-G348 VanDerWaalsContact C-N 3.34Å; A346-G348 PolarHBondContact O-N 3.26Å; G348-R350 PolarHBondContact O-N 3.09Å | ||
| 349 | G | 40.2 | Very low | 52.6 | Low | 79 Ų | 79 | 138.1 Ų | 138.1 | 81% | 0.814 | 75% | 0.751 | S | S | * | * | trans | -67.4 | 64.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S347 R351 | S347-G349 PolarHBondContact O-N 3.24Å; G349-R351 PolarHBondContact O-N 3.43Å | ||
| 350 | R | 42.4 | Very low | 54.9 | Low | 233 Ų | 233 | 134.8 Ų | 134.8 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | -45.9 | 110.6 | 164.7 | -179.3 | -172.6 | -164.5 | -139.4 | 7.2 | 106.1 | G348 R352 | G348-R350 PolarHBondContact O-N 3.09Å; R350-R352 PolarHBondContact O-N 3.49Å | ||
| 351 | R | 50.8 | Low | 57.5 | Low | 234 Ų | 234 | 131.6 Ų | 131.6 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | trans | -42.8 | 107.6 | -173 | -63.3 | -175.6 | -174.4 | -158.8 | 2.2 | 108.5 | G349 R353 | G349-R351 PolarHBondContact O-N 3.43Å; R351-R353 PolarHBondContact O-N 2.84Å | ||
| 352 | R | 50.6 | Low | 59.7 | Low | 238 Ų | 238 | 130.3 Ų | 130.3 | 90% | 0.898 | 70% | 0.698 | S | S | * | * | trans | -61 | 101 | 161.5 | -85.2 | -172.5 | 174.9 | -179.6 | -1.1 | 103.5 | R350 V354 | R350-R352 PolarHBondContact O-N 3.49Å; R352-V354 VanDerWaalsContact C-N 3.27Å; R352-V354 PolarHBondContact O-N 3.48Å | ||
| 353 | R | 52.4 | Low | 62.3 | Low | 234 Ų | 234 | 128.8 Ų | 128.8 | 88% | 0.883 | 69% | 0.685 | S | S | * | * | trans | -54.8 | 109.3 | 157.3 | -62.8 | -170.6 | -149.2 | -168.2 | 7 | 102.9 | R351 V355 | R351-R353 PolarHBondContact O-N 2.84Å; R353-V355 PolarHBondContact O-N 3Å; R353-V355 VanDerWaalsContact O-N 3.12Å | ||
| 354 | V | 57.9 | Low | 65.3 | Low | 98 Ų | 98 | 131.2 Ų | 131.2 | 59% | 0.594 | 68% | 0.676 | S | S | * | * | trans | -51.8 | 122.6 | 169.2 | 177.5 | 0 | 0 | 0 | 0 | 104.3 | R352 D356 E357 | R352-V354 VanDerWaalsContact C-N 3.27Å; R352-V354 PolarHBondContact O-N 3.48Å; V354-D356 WeakPolarHBondContact O-CA 3.43Å; V354-D356 PolarHBondContact O-N 2.95Å; V354-D356 VanDerWaalsContact O-N 3.1Å; V354-E357 HydrophobicContact CG1-CB 4Å; V354-E357 HydrophobicContact CG1-CG 3.77Å | ||
| 355 | V | 61.5 | Low | 67.8 | Low | 137 Ų | 137 | 128.7 Ų | 128.7 | 83% | 0.83 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -49 | 122.5 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 105.9 | R353 E357 | R353-V355 PolarHBondContact O-N 3Å; R353-V355 VanDerWaalsContact O-N 3.12Å; V355-E357 PolarHBondContact O-N 3.28Å |
| 356 | D | 61.8 | Low | 70.3 | Confident | 138 Ų | 138 | 129.5 Ų | 129.5 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | trans | -55.4 | 98 | -145.7 | -153.7 | -0.1 | 0 | 0 | 0 | 111.3 | V354 D358 | V354-D356 WeakPolarHBondContact O-CA 3.43Å; V354-D356 PolarHBondContact O-N 2.95Å; V354-D356 VanDerWaalsContact O-N 3.1Å; D356-D358 VanDerWaalsContact C-N 3.33Å; D356-D358 PolarHBondContact O-N 3.49Å | ||
| 357 | E | 70.6 | Confident | 72.6 | Confident | 64 Ų | 64 | 128.2 Ų | 128.2 | 30% | 0.299 | 62% | 0.624 | S | S | . | * | trans | -71.6 | 97.8 | -174.1 | -103.7 | -109.7 | 176.9 | 0 | 0 | 105.8 | V354 V355 R362 K365 | V354-E357 HydrophobicContact CG1-CB 4Å; V354-E357 HydrophobicContact CG1-CG 3.77Å; V355-E357 PolarHBondContact O-N 3.28Å; E357-R362 PolarHBondContact O-NE 2.99Å; E357-R362 PolarHBondContact O-NH2 3.43Å; E357-K365 IonicContact OE1-NZ 2.65Å; E357-K365 PolarHBondContact OE1-NZ 3.32Å; E357-K365 IonicContact OE2-NZ 3.56Å; E357-K365 PolarHBondContact OE2-NZ 3.42Å | ||
| 358 | D | 89.1 | Confident | 75.1 | Confident | 80 Ų | 80 | 127.4 Ų | 127.4 | 43% | 0.428 | 61% | 0.607 | S | S | . | * | trans | -29.3 | 122.9 | -176.4 | 160.1 | 40.9 | 0 | 0 | 0 | 110.6 | D356 D360 E361 R362 | D356-D358 VanDerWaalsContact C-N 3.33Å; D356-D358 PolarHBondContact O-N 3.49Å; D358-D360 PolarHBondContact O-N 3.3Å; D358-D360 VanDerWaalsContact O-N 3.08Å; D358-D360 PolarHBondContact OD1-N 2.73Å; D358-D360 VanDerWaalsContact OD1-N 3.13Å; D358-E361 HydrophobicContact CB-CB 4.17Å; D358-E361 PolarHBondContact O-N 2.76Å; D358-E361 PolarHBondContact OD2-N 2.72Å; D358-R362 PolarHBondContact O-N 3.47Å | ||
| 359 | P | 91.2 | Very high | 77.7 | Confident | 95 Ų | 95 | 132.3 Ų | 132.3 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -53.8 | -32.2 | -177.4 | 20.7 | -33.1 | 0 | 0 | 0 | 112.6 | R363 | P359-R363 WeakPolarHBondContact O-CB 3.36Å; P359-R363 PolarHBondContact O-N 3.21Å |
| 360 | D | 92.9 | Very high | 80.4 | Confident | 102 Ų | 102 | 132.9 Ų | 132.9 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.9 | -39.8 | 176 | -87.4 | -40.2 | 0 | 0 | 0 | 113.1 | D358 R362 R363 R364 | D358-D360 PolarHBondContact O-N 3.3Å; D358-D360 VanDerWaalsContact O-N 3.08Å; D358-D360 PolarHBondContact OD1-N 2.73Å; D358-D360 VanDerWaalsContact OD1-N 3.13Å; D360-R362 PolarHBondContact O-N 2.92Å; D360-R363 CarbonylContact O-C 3.6Å; D360-R363 WeakPolarHBondContact O-CB 3.33Å; D360-R363 PolarHBondContact O-N 2.91Å; D360-R364 WeakPolarHBondContact O-CB 3.42Å; D360-R364 PolarHBondContact O-N 3.39Å |
| 361 | E | 94.4 | Very high | 83.1 | Confident | 60 Ų | 60 | 128.9 Ų | 128.9 | 28% | 0.28 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63 | -40.7 | 169.1 | 179.9 | 163 | -133 | 0 | 0 | 112.1 | D358 R363 R364 K365 | D358-E361 HydrophobicContact CB-CB 4.17Å; D358-E361 PolarHBondContact O-N 2.76Å; D358-E361 PolarHBondContact OD2-N 2.72Å; E361-R363 VanDerWaalsContact C-N 3.28Å; E361-R363 PolarHBondContact O-N 3Å; E361-R364 WeakPolarHBondContact O-CB 3.4Å; E361-R364 PolarHBondContact O-N 2.98Å; E361-R364 IonicContact OE1-CZ 3.91Å; E361-R364 IonicContact OE1-NE 3.52Å; E361-R364 IonicContact OE1-NH2 2.73Å; E361-R364 PolarHBondContact OE1-NH2 3.5Å; E361-K365 HydrophobicContact CG-CD 3.87Å; E361-K365 VanDerWaalsContact CG-CE 3.4Å; E361-K365 HydrophobicContact CG-CG 4.23Å; E361-K365 VanDerWaalsContact CG-NZ 3.35Å; E361-K365 WeakPolarHBondContact O-CB 3.39Å; E361-K365 WeakPolarHBondContact O-CG 3.36Å; E361-K365 PolarHBondContact O-N 3.42Å; E361-K365 VanDerWaalsContact OE1-CE 3.23Å; E361-K365 WeakPolarHBondContact OE1-CE 3.31Å; E361-K365 IonicContact OE1-NZ 3.38Å; E361-K365 PolarHBondContact OE1-NZ 3.25Å; E361-K365 IonicContact OE2-NZ 3.81Å; E361-K365 PolarHBondContact OE2-NZ 3.42Å |
| 362 | R | 93.8 | Very high | 85.4 | Confident | 131 Ų | 131 | 119.3 Ų | 119.3 | 49% | 0.494 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 175.5 | -166.3 | 179.9 | -52.6 | 174.9 | 11.8 | 111 | E357 D358 D360 K365 F366 | E357-R362 PolarHBondContact O-NE 2.99Å; E357-R362 PolarHBondContact O-NH2 3.43Å; D358-R362 PolarHBondContact O-N 3.47Å; D360-R362 PolarHBondContact O-N 2.92Å; R362-K365 PolarHBondContact O-N 3.13Å; R362-F366 PolarHBondContact O-N 3.34Å |
| 363 | R | 96 | Very high | 87.7 | Confident | 155 Ų | 155 | 110 Ų | 110 | 59% | 0.585 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -42.9 | 174.4 | -173.8 | 171.2 | -179 | -92.3 | -2.9 | 111.7 | P359 D360 E361 F366 L367 | P359-R363 WeakPolarHBondContact O-CB 3.36Å; P359-R363 PolarHBondContact O-N 3.21Å; D360-R363 CarbonylContact O-C 3.6Å; D360-R363 WeakPolarHBondContact O-CB 3.33Å; D360-R363 PolarHBondContact O-N 2.91Å; E361-R363 VanDerWaalsContact C-N 3.28Å; E361-R363 PolarHBondContact O-N 3Å; R363-F366 PolarHBondContact O-N 2.78Å; R363-L367 HydrophobicContact CG-CD1 4.14Å; R363-L367 WeakPolarHBondContact O-CB 3.33Å; R363-L367 WeakPolarHBondContact O-CG 3.32Å; R363-L367 PolarHBondContact O-N 3.32Å |
| 364 | R | 96.9 | Very high | 89.9 | Confident | 164 Ų | 164 | 100.6 Ų | 100.6 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -56.9 | -50.5 | 172.1 | -178.6 | 175.5 | 77.9 | 154.3 | 0.6 | 111.4 | D360 E361 F366 L367 E368 | D360-R364 WeakPolarHBondContact O-CB 3.42Å; D360-R364 PolarHBondContact O-N 3.39Å; E361-R364 WeakPolarHBondContact O-CB 3.4Å; E361-R364 PolarHBondContact O-N 2.98Å; E361-R364 IonicContact OE1-CZ 3.91Å; E361-R364 IonicContact OE1-NE 3.52Å; E361-R364 IonicContact OE1-NH2 2.73Å; E361-R364 PolarHBondContact OE1-NH2 3.5Å; R364-F366 VanDerWaalsContact C-N 3.28Å; R364-F366 PolarHBondContact O-N 3.29Å; R364-L367 PolarHBondContact O-N 3.04Å; R364-E368 PolarHBondContact O-N 3.22Å |
| 365 | K | 97 | Very high | 91.8 | Very high | 61 Ų | 61 | 99.9 Ų | 99.9 | 27% | 0.265 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -31.4 | 177 | -70.6 | 167.5 | -179.4 | 156.9 | 0 | 112.1 | E357 E361 R362 R369 | E357-K365 IonicContact OE1-NZ 2.65Å; E357-K365 PolarHBondContact OE1-NZ 3.32Å; E357-K365 IonicContact OE2-NZ 3.56Å; E357-K365 PolarHBondContact OE2-NZ 3.42Å; E361-K365 HydrophobicContact CG-CD 3.87Å; E361-K365 VanDerWaalsContact CG-CE 3.4Å; E361-K365 HydrophobicContact CG-CG 4.23Å; E361-K365 VanDerWaalsContact CG-NZ 3.35Å; E361-K365 WeakPolarHBondContact O-CB 3.39Å; E361-K365 WeakPolarHBondContact O-CG 3.36Å; E361-K365 PolarHBondContact O-N 3.42Å; E361-K365 VanDerWaalsContact OE1-CE 3.23Å; E361-K365 WeakPolarHBondContact OE1-CE 3.31Å; E361-K365 IonicContact OE1-NZ 3.38Å; E361-K365 PolarHBondContact OE1-NZ 3.25Å; E361-K365 IonicContact OE2-NZ 3.81Å; E361-K365 PolarHBondContact OE2-NZ 3.42Å; R362-K365 PolarHBondContact O-N 3.13Å; K365-R369 VanDerWaalsContact C-NH1 3.25Å; K365-R369 WeakPolarHBondContact O-CG 3.44Å; K365-R369 PolarHBondContact O-NH1 2.97Å |
| 366 | F | 97.1 | Very high | 93.6 | Very high | 133 Ų | 133 | 101 Ų | 101 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -73 | -49.8 | 172.8 | 178.1 | -95.6 | 0 | 0 | 0 | 112.2 | R362 R363 R364 E368 R369 N370 | R362-F366 PolarHBondContact O-N 3.34Å; R363-F366 PolarHBondContact O-N 2.78Å; R364-F366 VanDerWaalsContact C-N 3.28Å; R364-F366 PolarHBondContact O-N 3.29Å; F366-E368 VanDerWaalsContact C-N 3.27Å; F366-E368 PolarHBondContact O-N 3.5Å; F366-R369 PolarHBondContact O-N 2.91Å; F366-N370 PolarHBondContact O-N 3.38Å |
| 367 | L | 98.1 | Very high | 95.3 | Very high | 79 Ų | 79 | 98.7 Ų | 98.7 | 41% | 0.414 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.6 | -37.9 | -179.6 | -73 | 170.2 | 0 | 0 | 0 | 112.1 | R363 R364 N370 R371 | R363-L367 HydrophobicContact CG-CD1 4.14Å; R363-L367 WeakPolarHBondContact O-CB 3.33Å; R363-L367 WeakPolarHBondContact O-CG 3.32Å; R363-L367 PolarHBondContact O-N 3.32Å; R364-L367 PolarHBondContact O-N 3.04Å; L367-N370 WeakPolarHBondContact O-CB 3.32Å; L367-N370 PolarHBondContact O-N 2.94Å; L367-R371 PolarHBondContact O-N 2.95Å |
| 368 | E | 98.1 | Very high | 96.7 | Very high | 98 Ų | 98 | 104.9 Ų | 104.9 | 46% | 0.458 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73 | -36.3 | 178.9 | -163 | 49.7 | -133.5 | 0 | 0 | 112.8 | R364 F366 N370 R371 A372 | R364-E368 PolarHBondContact O-N 3.22Å; F366-E368 VanDerWaalsContact C-N 3.27Å; F366-E368 PolarHBondContact O-N 3.5Å; E368-N370 VanDerWaalsContact C-N 3.3Å; E368-N370 PolarHBondContact O-N 2.95Å; E368-R371 PolarHBondContact O-N 3.45Å; E368-R371 WeakPolarHBondContact OE1-CD 3.26Å; E368-R371 IonicContact OE1-NE 2.61Å; E368-R371 IonicContact OE2-CZ 3.83Å; E368-R371 IonicContact OE2-NE 2.67Å; E368-R371 PolarHBondContact OE2-NE 3.1Å; E368-R371 IonicContact OE2-NH2 2.74Å; E368-A372 WeakPolarHBondContact O-CB 3.33Å; E368-A372 PolarHBondContact O-N 3.07Å |
| 369 | R | 98.3 | Very high | 97.1 | Very high | 166 Ų | 166 | 106.1 Ų | 106.1 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -38.3 | 169.4 | -69.1 | -179.6 | -164 | 105.2 | -12.8 | 111.6 | K365 F366 A373 | K365-R369 VanDerWaalsContact C-NH1 3.25Å; K365-R369 WeakPolarHBondContact O-CG 3.44Å; K365-R369 PolarHBondContact O-NH1 2.97Å; F366-R369 PolarHBondContact O-N 2.91Å; R369-A373 WeakPolarHBondContact O-CB 3.43Å; R369-A373 PolarHBondContact O-N 2.78Å |
| 370 | N | 98.4 | Very high | 97.5 | Very high | 90 Ų | 90 | 109.6 Ų | 109.6 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 175 | -175.7 | -83.3 | 0 | 0 | 0 | 111.5 | F366 L367 E368 A372 A373 A374 | F366-N370 PolarHBondContact O-N 3.38Å; L367-N370 WeakPolarHBondContact O-CB 3.32Å; L367-N370 PolarHBondContact O-N 2.94Å; E368-N370 VanDerWaalsContact C-N 3.3Å; E368-N370 PolarHBondContact O-N 2.95Å; N370-A372 PolarHBondContact O-N 2.74Å; N370-A373 PolarHBondContact O-N 3.21Å; N370-A373 VanDerWaalsContact O-N 3.15Å; N370-A374 WeakPolarHBondContact O-CB 3.33Å; N370-A374 PolarHBondContact O-N 3.37Å |
| 371 | R | 98.7 | Very high | 97.8 | Very high | 149 Ų | 149 | 113.1 Ų | 113.1 | 56% | 0.562 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.2 | -50.2 | 174 | -168.2 | -167 | -52.4 | -81.3 | -0.9 | 111.2 | L367 E368 A373 A374 T375 | L367-R371 PolarHBondContact O-N 2.95Å; E368-R371 PolarHBondContact O-N 3.45Å; E368-R371 WeakPolarHBondContact OE1-CD 3.26Å; E368-R371 IonicContact OE1-NE 2.61Å; E368-R371 IonicContact OE2-CZ 3.83Å; E368-R371 IonicContact OE2-NE 2.67Å; E368-R371 PolarHBondContact OE2-NE 3.1Å; E368-R371 IonicContact OE2-NH2 2.74Å; R371-A373 VanDerWaalsContact C-N 3.34Å; R371-A373 PolarHBondContact O-N 3.49Å; R371-A374 PolarHBondContact O-N 2.95Å; R371-T375 PolarHBondContact O-N 3.42Å; R371-T375 PolarHBondContact O-OG1 3.05Å |
| 372 | A | 98.4 | Very high | 98 | Very high | 34 Ų | 34 | 116.2 Ų | 116.2 | 28% | 0.281 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E368 N370 R376 | E368-A372 WeakPolarHBondContact O-CB 3.33Å; E368-A372 PolarHBondContact O-N 3.07Å; N370-A372 PolarHBondContact O-N 2.74Å; A372-R376 WeakPolarHBondContact O-CG 3.07Å; A372-R376 PolarHBondContact O-N 2.91Å |
| 373 | A | 98.4 | Very high | 98.2 | Very high | 43 Ų | 43 | 114.1 Ų | 114.1 | 36% | 0.355 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | R369 N370 R371 R376 C377 | R369-A373 WeakPolarHBondContact O-CB 3.43Å; R369-A373 PolarHBondContact O-N 2.78Å; N370-A373 PolarHBondContact O-N 3.21Å; N370-A373 VanDerWaalsContact O-N 3.15Å; R371-A373 VanDerWaalsContact C-N 3.34Å; R371-A373 PolarHBondContact O-N 3.49Å; A373-R376 PolarHBondContact O-N 3.37Å; A373-C377 WeakPolarHBondContact O-CB 3.35Å; A373-C377 PolarHBondContact O-N 2.99Å |
| 374 | A | 98.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 114.3 Ų | 114.3 | 29% | 0.289 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N370 R371 C377 R378 | N370-A374 WeakPolarHBondContact O-CB 3.33Å; N370-A374 PolarHBondContact O-N 3.37Å; R371-A374 PolarHBondContact O-N 2.95Å; A374-C377 PolarHBondContact O-N 2.88Å; A374-R378 WeakPolarHBondContact O-CB 3.41Å; A374-R378 VanDerWaalsContact O-CG 3.3Å; A374-R378 WeakPolarHBondContact O-CG 3.35Å; A374-R378 PolarHBondContact O-N 3.42Å |
| 375 | T | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 108.9 Ų | 108.9 | 52% | 0.515 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 173.6 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | R371 C377 R378 Q379 | R371-T375 PolarHBondContact O-N 3.42Å; R371-T375 PolarHBondContact O-OG1 3.05Å; T375-C377 PolarHBondContact O-N 3.14Å; T375-R378 PolarHBondContact O-N 3.46Å; T375-Q379 WeakPolarHBondContact O-CB 3.48Å; T375-Q379 PolarHBondContact O-N 3.12Å |
| 376 | R | 98.7 | Very high | 98.5 | Very high | 161 Ų | 161 | 111.2 Ų | 111.2 | 61% | 0.608 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 175 | -73.5 | -172 | -60.7 | -91.8 | 0.7 | 112.7 | A372 A373 Q379 K380 | A372-R376 WeakPolarHBondContact O-CG 3.07Å; A372-R376 PolarHBondContact O-N 2.91Å; A373-R376 PolarHBondContact O-N 3.37Å; R376-Q379 PolarHBondContact O-N 3.28Å; R376-K380 WeakPolarHBondContact O-CB 3.21Å; R376-K380 PolarHBondContact O-N 2.93Å |
| 377 | C | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 108.4 Ų | 108.4 | 60% | 0.595 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -49.3 | 175.8 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | A373 A374 T375 Q379 K380 R381 | A373-C377 WeakPolarHBondContact O-CB 3.35Å; A373-C377 PolarHBondContact O-N 2.99Å; A374-C377 PolarHBondContact O-N 2.88Å; T375-C377 PolarHBondContact O-N 3.14Å; C377-Q379 VanDerWaalsContact C-N 3.34Å; C377-Q379 PolarHBondContact O-N 2.9Å; C377-K380 PolarHBondContact O-N 3.44Å; C377-R381 PolarHBondContact O-N 3.07Å |
| 378 | R | 98.8 | Very high | 98.6 | Very high | 194 Ų | 194 | 109 Ų | 109 | 73% | 0.732 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.3 | -42 | 175.6 | -70.9 | 171.8 | -178.7 | -170.9 | -0.3 | 111.9 | A374 T375 R381 K382 | A374-R378 WeakPolarHBondContact O-CB 3.41Å; A374-R378 VanDerWaalsContact O-CG 3.3Å; A374-R378 WeakPolarHBondContact O-CG 3.35Å; A374-R378 PolarHBondContact O-N 3.42Å; T375-R378 PolarHBondContact O-N 3.46Å; R378-R381 PolarHBondContact O-N 3.26Å; R378-K382 PolarHBondContact O-N 2.67Å |
| 379 | Q | 98.8 | Very high | 98.6 | Very high | 106 Ų | 106 | 109.4 Ų | 109.4 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 177 | -168.4 | 65 | -93 | 0 | 0 | 111.8 | T375 R376 C377 R381 K382 V383 | T375-Q379 WeakPolarHBondContact O-CB 3.48Å; T375-Q379 PolarHBondContact O-N 3.12Å; R376-Q379 PolarHBondContact O-N 3.28Å; C377-Q379 VanDerWaalsContact C-N 3.34Å; C377-Q379 PolarHBondContact O-N 2.9Å; Q379-R381 VanDerWaalsContact C-N 3.31Å; Q379-R381 PolarHBondContact O-N 3.04Å; Q379-K382 PolarHBondContact O-N 3.21Å; Q379-V383 WeakPolarHBondContact O-CG2 3.36Å; Q379-V383 PolarHBondContact O-N 3.27Å |
| 380 | K | 98.7 | Very high | 98.7 | Very high | 168 Ų | 168 | 107.1 Ų | 107.1 | 73% | 0.73 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.5 | -41.3 | 174.9 | -172.9 | 177.6 | 179.6 | -178.3 | 0 | 111.5 | R376 C377 W384 | R376-K380 WeakPolarHBondContact O-CB 3.21Å; R376-K380 PolarHBondContact O-N 2.93Å; C377-K380 PolarHBondContact O-N 3.44Å; K380-W384 WeakPolarHBondContact O-CB 3.45Å; K380-W384 PolarHBondContact O-N 2.84Å |
| 381 | R | 98.7 | Very high | 98.7 | Very high | 176 Ų | 176 | 107.4 Ų | 107.4 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -41.4 | 174.7 | -173.2 | 171.9 | 179.1 | 162.4 | 0 | 112.1 | C377 R378 Q379 W384 V385 | C377-R381 PolarHBondContact O-N 3.07Å; R378-R381 PolarHBondContact O-N 3.26Å; Q379-R381 VanDerWaalsContact C-N 3.31Å; Q379-R381 PolarHBondContact O-N 3.04Å; R381-W384 PolarHBondContact O-N 3.06Å; R381-V385 HydrophobicContact CG-CG2 4.45Å; R381-V385 WeakPolarHBondContact O-CG2 3.42Å; R381-V385 PolarHBondContact O-N 2.95Å |
| 382 | K | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 103 Ų | 103 | 55% | 0.548 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -52.2 | 174.6 | 173.6 | 174.6 | -75.1 | -159.1 | 0 | 111.4 | R378 Q379 W384 V385 M386 | R378-K382 PolarHBondContact O-N 2.67Å; Q379-K382 PolarHBondContact O-N 3.21Å; K382-W384 VanDerWaalsContact C-N 3.29Å; K382-W384 PolarHBondContact O-N 3Å; K382-V385 PolarHBondContact O-N 3.02Å; K382-M386 HydrophobicContact CD-SD 4.17Å; K382-M386 HydrophobicContact CG-CG 4.34Å; K382-M386 HydrophobicContact CG-SD 3.73Å; K382-M386 WeakPolarHBondContact O-CG 3.27Å; K382-M386 PolarHBondContact O-N 2.96Å |
| 383 | V | 98.6 | Very high | 98.7 | Very high | 87 Ų | 87 | 107.7 Ų | 107.7 | 53% | 0.527 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -39 | 179.8 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | Q379 S387 | Q379-V383 WeakPolarHBondContact O-CG2 3.36Å; Q379-V383 PolarHBondContact O-N 3.27Å; V383-S387 VanDerWaalsContact O-CB 3.32Å; V383-S387 WeakPolarHBondContact O-CB 3.25Å; V383-S387 PolarHBondContact O-N 3.23Å |
| 384 | W | 98.6 | Very high | 98.7 | Very high | 158 Ų | 158 | 108.6 Ų | 108.6 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.5 | -45.6 | 175.3 | 178.5 | 58.6 | 0 | 0 | 0 | 112.6 | K380 R381 K382 S387 L388 | K380-W384 WeakPolarHBondContact O-CB 3.45Å; K380-W384 PolarHBondContact O-N 2.84Å; R381-W384 PolarHBondContact O-N 3.06Å; K382-W384 VanDerWaalsContact C-N 3.29Å; K382-W384 PolarHBondContact O-N 3Å; W384-S387 WeakPolarHBondContact O-CB 3.48Å; W384-S387 PolarHBondContact O-N 3.22Å; W384-L388 HydrophobicContact CD2-CD1 4.15Å; W384-L388 HydrophobicContact CH2-CD1 4.29Å; W384-L388 HydrophobicContact CZ2-CD1 3.78Å; W384-L388 WeakPolarHBondContact O-CG 3.27Å; W384-L388 PolarHBondContact O-N 2.96Å |
| 385 | V | 98.8 | Very high | 98.7 | Very high | 50 Ų | 50 | 111.7 Ų | 111.7 | 30% | 0.303 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 175.7 | 169.6 | 0 | 0 | 0 | 0 | 111 | R381 K382 S387 L388 E389 | R381-V385 HydrophobicContact CG-CG2 4.45Å; R381-V385 WeakPolarHBondContact O-CG2 3.42Å; R381-V385 PolarHBondContact O-N 2.95Å; K382-V385 PolarHBondContact O-N 3.02Å; V385-S387 PolarHBondContact O-N 3.39Å; V385-L388 WeakPolarHBondContact O-CA 3.46Å; V385-L388 WeakPolarHBondContact O-CB 3.45Å; V385-L388 PolarHBondContact O-N 3.39Å; V385-E389 HydrophobicContact CG1-CG 4.23Å; V385-E389 WeakPolarHBondContact CG1-OE1 3.26Å; V385-E389 WeakPolarHBondContact O-CG 3.28Å; V385-E389 PolarHBondContact O-N 3.43Å |
| 386 | M | 98.6 | Very high | 98.7 | Very high | 110 Ų | 110 | 112 Ų | 112 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.9 | -33.7 | 176.1 | -68.9 | 175.3 | 66.4 | 0 | 0 | 112.9 | K382 E389 K390 | K382-M386 HydrophobicContact CD-SD 4.17Å; K382-M386 HydrophobicContact CG-CG 4.34Å; K382-M386 HydrophobicContact CG-SD 3.73Å; K382-M386 WeakPolarHBondContact O-CG 3.27Å; K382-M386 PolarHBondContact O-N 2.96Å; M386-E389 WeakPolarHBondContact CA-OE2 3.48Å; M386-K390 WeakPolarHBondContact O-CB 3.42Å; M386-K390 PolarHBondContact O-N 2.95Å |
| 387 | S | 98.8 | Very high | 98.7 | Very high | 74 Ų | 74 | 110.2 Ų | 110.2 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -71.4 | -28.8 | 175 | -172.2 | 0 | 0 | 0 | 0 | 113.1 | V383 W384 V385 K391 | V383-S387 VanDerWaalsContact O-CB 3.32Å; V383-S387 WeakPolarHBondContact O-CB 3.25Å; V383-S387 PolarHBondContact O-N 3.23Å; W384-S387 WeakPolarHBondContact O-CB 3.48Å; W384-S387 PolarHBondContact O-N 3.22Å; V385-S387 PolarHBondContact O-N 3.39Å; S387-K391 WeakPolarHBondContact O-CB 3.48Å; S387-K391 PolarHBondContact O-N 2.98Å |
| 388 | L | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 109 Ų | 109 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -79.1 | -42.6 | 174.6 | -69 | 173.8 | 0 | 0 | 0 | 111.1 | W384 V385 K391 A392 | W384-L388 HydrophobicContact CD2-CD1 4.15Å; W384-L388 HydrophobicContact CH2-CD1 4.29Å; W384-L388 HydrophobicContact CZ2-CD1 3.78Å; W384-L388 WeakPolarHBondContact O-CG 3.27Å; W384-L388 PolarHBondContact O-N 2.96Å; V385-L388 WeakPolarHBondContact O-CA 3.46Å; V385-L388 WeakPolarHBondContact O-CB 3.45Å; V385-L388 PolarHBondContact O-N 3.39Å; L388-K391 PolarHBondContact O-N 3.23Å; L388-K391 VanDerWaalsContact O-N 3.14Å; L388-A392 PolarHBondContact O-N 3.25Å |
| 389 | E | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.3 | -54.1 | 173.7 | -69.8 | 166.9 | 154.6 | 0 | 0 | 110.1 | V385 M386 K391 A392 E393 | V385-E389 HydrophobicContact CG1-CG 4.23Å; V385-E389 WeakPolarHBondContact CG1-OE1 3.26Å; V385-E389 WeakPolarHBondContact O-CG 3.28Å; V385-E389 PolarHBondContact O-N 3.43Å; M386-E389 WeakPolarHBondContact CA-OE2 3.48Å; E389-K391 VanDerWaalsContact C-N 3.29Å; E389-K391 PolarHBondContact O-N 3.37Å; E389-A392 WeakPolarHBondContact O-CB 3.38Å; E389-A392 PolarHBondContact O-N 3.36Å; E389-A392 VanDerWaalsContact O-N 3.12Å; E389-E393 WeakPolarHBondContact O-CG 3.38Å; E389-E393 PolarHBondContact O-N 3.13Å |
| 390 | K | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 103.9 Ų | 103.9 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -36.6 | 174.9 | -174.5 | 174.4 | -174.1 | -77.2 | 0 | 113.3 | M386 E393 E394 | M386-K390 WeakPolarHBondContact O-CB 3.42Å; M386-K390 PolarHBondContact O-N 2.95Å; K390-E393 PolarHBondContact O-N 2.91Å; K390-E394 IonicContact NZ-OE1 3.55Å; K390-E394 PolarHBondContact NZ-OE1 2.91Å; K390-E394 WeakPolarHBondContact O-CB 3.46Å; K390-E394 WeakPolarHBondContact O-CG 3.45Å; K390-E394 PolarHBondContact O-N 3.33Å |
| 391 | K | 98.6 | Very high | 98.7 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -33.6 | 178.8 | -167.9 | 66.8 | -125.6 | 170.6 | 0 | 111.9 | S387 L388 E389 E394 L395 | S387-K391 WeakPolarHBondContact O-CB 3.48Å; S387-K391 PolarHBondContact O-N 2.98Å; L388-K391 PolarHBondContact O-N 3.23Å; L388-K391 VanDerWaalsContact O-N 3.14Å; E389-K391 VanDerWaalsContact C-N 3.29Å; E389-K391 PolarHBondContact O-N 3.37Å; K391-E394 WeakPolarHBondContact CE-OE2 3.34Å; K391-E394 IonicContact NZ-OE2 2.66Å; K391-E394 PolarHBondContact NZ-OE2 3.17Å; K391-L395 HydrophobicContact CG-CD1 4.33Å; K391-L395 WeakPolarHBondContact O-CB 3.32Å; K391-L395 VanDerWaalsContact O-CG 3.26Å; K391-L395 WeakPolarHBondContact O-CG 3.48Å; K391-L395 PolarHBondContact O-N 2.61Å |
| 392 | A | 98.8 | Very high | 98.7 | Very high | 55 Ų | 55 | 97.1 Ų | 97.1 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.2 | -40.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L388 E389 L395 T396 | L388-A392 PolarHBondContact O-N 3.25Å; E389-A392 WeakPolarHBondContact O-CB 3.38Å; E389-A392 PolarHBondContact O-N 3.36Å; E389-A392 VanDerWaalsContact O-N 3.12Å; A392-L395 PolarHBondContact O-N 2.8Å; A392-T396 WeakPolarHBondContact O-CB 3.44Å; A392-T396 PolarHBondContact O-N 2.92Å; A392-T396 PolarHBondContact O-OG1 2.89Å |
| 393 | E | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 96.1 Ų | 96.1 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.9 | -50.4 | 172.3 | -68.7 | 171.3 | 167.5 | 0 | 0 | 111.6 | E389 K390 L395 T396 Q397 | E389-E393 WeakPolarHBondContact O-CG 3.38Å; E389-E393 PolarHBondContact O-N 3.13Å; K390-E393 PolarHBondContact O-N 2.91Å; E393-L395 PolarHBondContact O-N 3.4Å; E393-T396 PolarHBondContact O-N 3.45Å; E393-Q397 PolarHBondContact O-N 2.86Å |
| 394 | E | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 96.2 Ų | 96.2 | 29% | 0.294 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -55.5 | -48.8 | 175.6 | -77.3 | 172.4 | -165.3 | 0 | 0 | 112 | K390 K391 T396 Q397 T398 | K390-E394 IonicContact NZ-OE1 3.55Å; K390-E394 PolarHBondContact NZ-OE1 2.91Å; K390-E394 WeakPolarHBondContact O-CB 3.46Å; K390-E394 WeakPolarHBondContact O-CG 3.45Å; K390-E394 PolarHBondContact O-N 3.33Å; K391-E394 WeakPolarHBondContact CE-OE2 3.34Å; K391-E394 IonicContact NZ-OE2 2.66Å; K391-E394 PolarHBondContact NZ-OE2 3.17Å; E394-T396 VanDerWaalsContact C-N 3.34Å; E394-T396 PolarHBondContact O-N 3.44Å; E394-Q397 PolarHBondContact O-N 3.3Å; E394-T398 PolarHBondContact O-N 3.37Å; E394-T398 PolarHBondContact O-OG1 3.02Å |
| 395 | L | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 93.5 Ų | 93.5 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | -179.8 | -73.7 | 169.7 | 0 | 0 | 0 | 112 | K391 A392 E393 T398 N399 | K391-L395 HydrophobicContact CG-CD1 4.33Å; K391-L395 WeakPolarHBondContact O-CB 3.32Å; K391-L395 VanDerWaalsContact O-CG 3.26Å; K391-L395 WeakPolarHBondContact O-CG 3.48Å; K391-L395 PolarHBondContact O-N 2.61Å; A392-L395 PolarHBondContact O-N 2.8Å; E393-L395 PolarHBondContact O-N 3.4Å; L395-T398 WeakPolarHBondContact CA-OG1 3.47Å; L395-T398 PolarHBondContact O-N 2.91Å; L395-T398 PolarHBondContact O-OG1 3.32Å; L395-N399 VanDerWaalsContact O-CB 3.26Å; L395-N399 WeakPolarHBondContact O-CB 3.34Å; L395-N399 PolarHBondContact O-N 2.88Å |
| 396 | T | 98.7 | Very high | 98.7 | Very high | 91 Ų | 91 | 94.4 Ų | 94.4 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 174.6 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | A392 E393 E394 N399 M400 | A392-T396 WeakPolarHBondContact O-CB 3.44Å; A392-T396 PolarHBondContact O-N 2.92Å; A392-T396 PolarHBondContact O-OG1 2.89Å; E393-T396 PolarHBondContact O-N 3.45Å; E394-T396 VanDerWaalsContact C-N 3.34Å; E394-T396 PolarHBondContact O-N 3.44Å; T396-N399 PolarHBondContact O-N 3.45Å; T396-M400 WeakPolarHBondContact O-CB 3.47Å; T396-M400 PolarHBondContact O-N 3.43Å |
| 397 | Q | 98.8 | Very high | 98.7 | Very high | 123 Ų | 123 | 92.6 Ų | 92.6 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 175.9 | -173.6 | 179.2 | 8.2 | 0 | 0 | 111.9 | E393 E394 N399 M400 Q401 | E393-Q397 PolarHBondContact O-N 2.86Å; E394-Q397 PolarHBondContact O-N 3.3Å; Q397-N399 PolarHBondContact O-N 3.24Å; Q397-M400 PolarHBondContact O-N 3.18Å; Q397-Q401 WeakPolarHBondContact O-CG 3.33Å; Q397-Q401 PolarHBondContact O-N 2.94Å |
| 398 | T | 98.7 | Very high | 98.7 | Very high | 63 Ų | 63 | 95.1 Ų | 95.1 | 39% | 0.387 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67 | -35.6 | 177.7 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | E394 L395 Q401 L402 | E394-T398 PolarHBondContact O-N 3.37Å; E394-T398 PolarHBondContact O-OG1 3.02Å; L395-T398 WeakPolarHBondContact CA-OG1 3.47Å; L395-T398 PolarHBondContact O-N 2.91Å; L395-T398 PolarHBondContact O-OG1 3.32Å; T398-Q401 PolarHBondContact O-N 3.35Å; T398-L402 WeakPolarHBondContact O-CG 3.49Å; T398-L402 PolarHBondContact O-N 2.83Å |
| 399 | N | 98.7 | Very high | 98.7 | Very high | 88 Ų | 88 | 94.8 Ų | 94.8 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 176 | -166.5 | -16.2 | 0 | 0 | 0 | 110.6 | L395 T396 Q397 Q401 L402 Q403 | L395-N399 VanDerWaalsContact O-CB 3.26Å; L395-N399 WeakPolarHBondContact O-CB 3.34Å; L395-N399 PolarHBondContact O-N 2.88Å; T396-N399 PolarHBondContact O-N 3.45Å; Q397-N399 PolarHBondContact O-N 3.24Å; N399-Q401 VanDerWaalsContact C-N 3.33Å; N399-Q401 PolarHBondContact O-N 2.87Å; N399-L402 PolarHBondContact O-N 3.3Å; N399-Q403 WeakPolarHBondContact O-CB 3.38Å; N399-Q403 VanDerWaalsContact O-CG 3.31Å; N399-Q403 WeakPolarHBondContact O-CG 3.32Å; N399-Q403 PolarHBondContact O-N 2.81Å; N399-Q403 PolarHBondContact OD1-NE2 2.94Å |
| 400 | M | 98.7 | Very high | 98.7 | Very high | 104 Ų | 104 | 96.1 Ų | 96.1 | 51% | 0.512 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.1 | -42.1 | 172.6 | -173.1 | 65.5 | 65.8 | 0 | 0 | 112.3 | T396 Q397 Q403 N404 | T396-M400 WeakPolarHBondContact O-CB 3.47Å; T396-M400 PolarHBondContact O-N 3.43Å; Q397-M400 PolarHBondContact O-N 3.18Å; M400-Q403 PolarHBondContact O-N 3.15Å; M400-N404 VanDerWaalsContact O-CG 3.25Å; M400-N404 PolarHBondContact O-N 3.44Å; M400-N404 PolarHBondContact O-ND2 3.3Å; M400-N404 VanDerWaalsContact O-ND2 3.13Å |
| 401 | Q | 98.8 | Very high | 98.7 | Very high | 101 Ų | 101 | 94.8 Ų | 94.8 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 176.4 | -73.5 | 166.9 | -17 | 0 | 0 | 112 | Q397 T398 N399 Q403 N404 E405 | Q397-Q401 WeakPolarHBondContact O-CG 3.33Å; Q397-Q401 PolarHBondContact O-N 2.94Å; T398-Q401 PolarHBondContact O-N 3.35Å; N399-Q401 VanDerWaalsContact C-N 3.33Å; N399-Q401 PolarHBondContact O-N 2.87Å; Q401-Q403 PolarHBondContact O-N 3.43Å; Q401-N404 WeakPolarHBondContact O-CB 3.47Å; Q401-N404 PolarHBondContact O-N 3.19Å; Q401-E405 PolarHBondContact O-N 2.95Å |
| 402 | L | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 95.2 Ų | 95.2 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -36.3 | 178.2 | -68.4 | 168.6 | 0 | 0 | 0 | 112.4 | T398 N399 E405 V406 | T398-L402 WeakPolarHBondContact O-CG 3.49Å; T398-L402 PolarHBondContact O-N 2.83Å; N399-L402 PolarHBondContact O-N 3.3Å; L402-E405 PolarHBondContact O-N 2.95Å; L402-V406 WeakPolarHBondContact O-CB 3.33Å; L402-V406 VanDerWaalsContact O-CG2 3.28Å; L402-V406 WeakPolarHBondContact O-CG2 3.3Å; L402-V406 PolarHBondContact O-N 3.04Å |
| 403 | Q | 98.7 | Very high | 98.7 | Very high | 104 Ų | 104 | 96 Ų | 96 | 49% | 0.486 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 173.2 | -74.1 | 178.4 | 32.9 | 0 | 0 | 112.1 | N399 M400 Q401 T407 | N399-Q403 WeakPolarHBondContact O-CB 3.38Å; N399-Q403 VanDerWaalsContact O-CG 3.31Å; N399-Q403 WeakPolarHBondContact O-CG 3.32Å; N399-Q403 PolarHBondContact O-N 2.81Å; N399-Q403 PolarHBondContact OD1-NE2 2.94Å; M400-Q403 PolarHBondContact O-N 3.15Å; Q401-Q403 PolarHBondContact O-N 3.43Å; Q403-T407 WeakPolarHBondContact O-CB 3.37Å; Q403-T407 PolarHBondContact O-N 3.46Å; Q403-T407 PolarHBondContact O-OG1 3.47Å |
| 404 | N | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 93.9 Ų | 93.9 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 174.3 | -70.2 | -31 | 0 | 0 | 0 | 111.5 | M400 Q401 T407 M408 | M400-N404 VanDerWaalsContact O-CG 3.25Å; M400-N404 PolarHBondContact O-N 3.44Å; M400-N404 PolarHBondContact O-ND2 3.3Å; M400-N404 VanDerWaalsContact O-ND2 3.13Å; Q401-N404 WeakPolarHBondContact O-CB 3.47Å; Q401-N404 PolarHBondContact O-N 3.19Å; N404-T407 WeakPolarHBondContact O-CB 3.47Å; N404-T407 PolarHBondContact O-N 2.95Å; N404-T407 VanDerWaalsContact O-N 3.16Å; N404-M408 WeakPolarHBondContact O-CG 3.37Å; N404-M408 PolarHBondContact O-N 3.38Å |
| 405 | E | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 97.3 Ų | 97.3 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -49 | 176.3 | -173.1 | 177.8 | 177.1 | 0 | 0 | 112.2 | Q401 L402 T407 M408 L409 | Q401-E405 PolarHBondContact O-N 2.95Å; L402-E405 PolarHBondContact O-N 2.95Å; E405-T407 PolarHBondContact O-N 3.15Å; E405-M408 PolarHBondContact O-N 3.15Å; E405-M408 VanDerWaalsContact O-N 3.14Å; E405-L409 HydrophobicContact CG-CD1 4.09Å; E405-L409 WeakPolarHBondContact O-CG 3.32Å; E405-L409 PolarHBondContact O-N 3.27Å |
| 406 | V | 98.8 | Very high | 98.6 | Very high | 70 Ų | 70 | 96.9 Ų | 96.9 | 42% | 0.424 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.5 | -34.6 | 173.8 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | L402 K410 | L402-V406 WeakPolarHBondContact O-CB 3.33Å; L402-V406 VanDerWaalsContact O-CG2 3.28Å; L402-V406 WeakPolarHBondContact O-CG2 3.3Å; L402-V406 PolarHBondContact O-N 3.04Å; V406-K410 HydrophobicContact CG1-CD 4.05Å; V406-K410 WeakPolarHBondContact O-CB 3.45Å; V406-K410 WeakPolarHBondContact O-CD 3.38Å; V406-K410 WeakPolarHBondContact O-CG 3.43Å; V406-K410 PolarHBondContact O-N 3.3Å |
| 407 | T | 98.7 | Very high | 98.4 | Very high | 72 Ų | 72 | 99.3 Ų | 99.3 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.1 | -43 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | Q403 N404 E405 K410 N411 | Q403-T407 WeakPolarHBondContact O-CB 3.37Å; Q403-T407 PolarHBondContact O-N 3.46Å; Q403-T407 PolarHBondContact O-OG1 3.47Å; N404-T407 WeakPolarHBondContact O-CB 3.47Å; N404-T407 PolarHBondContact O-N 2.95Å; N404-T407 VanDerWaalsContact O-N 3.16Å; E405-T407 PolarHBondContact O-N 3.15Å; T407-K410 PolarHBondContact O-N 3.16Å; T407-N411 PolarHBondContact O-N 3.2Å; T407-N411 PolarHBondContact O-ND2 3.14Å; T407-N411 PolarHBondContact O-OD1 3.22Å |
| 408 | M | 98.6 | Very high | 98.3 | Very high | 126 Ų | 126 | 98.5 Ų | 98.5 | 62% | 0.621 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -47.5 | 174.5 | -68.9 | -171.2 | -61.8 | 0 | 0 | 111.6 | N404 E405 K410 N411 E412 | N404-M408 WeakPolarHBondContact O-CG 3.37Å; N404-M408 PolarHBondContact O-N 3.38Å; E405-M408 PolarHBondContact O-N 3.15Å; E405-M408 VanDerWaalsContact O-N 3.14Å; M408-K410 PolarHBondContact O-N 2.78Å; M408-N411 WeakPolarHBondContact O-CB 3.42Å; M408-N411 PolarHBondContact O-N 2.95Å; M408-N411 VanDerWaalsContact O-N 3.13Å; M408-E412 PolarHBondContact O-N 2.78Å |
| 409 | L | 98.8 | Very high | 98.2 | Very high | 87 Ų | 87 | 100 Ų | 100 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 178.6 | -67.2 | 170.6 | 0 | 0 | 0 | 112.3 | E405 N411 E412 V413 | E405-L409 HydrophobicContact CG-CD1 4.09Å; E405-L409 WeakPolarHBondContact O-CG 3.32Å; E405-L409 PolarHBondContact O-N 3.27Å; L409-N411 VanDerWaalsContact C-N 3.34Å; L409-E412 PolarHBondContact O-N 2.87Å; L409-V413 WeakPolarHBondContact O-CB 3.42Å; L409-V413 WeakPolarHBondContact O-CG2 3.37Å; L409-V413 PolarHBondContact O-N 3.41Å |
| 410 | K | 98.4 | Very high | 97.9 | Very high | 133 Ų | 133 | 102 Ų | 102 | 58% | 0.578 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -40.2 | 171.9 | -79.1 | 170.6 | 179.8 | 177.2 | 0 | 112.1 | V406 T407 M408 T414 | V406-K410 HydrophobicContact CG1-CD 4.05Å; V406-K410 WeakPolarHBondContact O-CB 3.45Å; V406-K410 WeakPolarHBondContact O-CD 3.38Å; V406-K410 WeakPolarHBondContact O-CG 3.43Å; V406-K410 PolarHBondContact O-N 3.3Å; T407-K410 PolarHBondContact O-N 3.16Å; M408-K410 PolarHBondContact O-N 2.78Å; K410-T414 WeakPolarHBondContact O-CB 3.34Å; K410-T414 PolarHBondContact O-N 2.92Å; K410-T414 PolarHBondContact O-OG1 2.85Å |
| 411 | N | 98.5 | Very high | 97.6 | Very high | 90 Ų | 90 | 102 Ų | 102 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 177 | -67.8 | -15.4 | 0 | 0 | 0 | 111.8 | T407 M408 L409 T414 Q415 | T407-N411 PolarHBondContact O-N 3.2Å; T407-N411 PolarHBondContact O-ND2 3.14Å; T407-N411 PolarHBondContact O-OD1 3.22Å; M408-N411 WeakPolarHBondContact O-CB 3.42Å; M408-N411 PolarHBondContact O-N 2.95Å; M408-N411 VanDerWaalsContact O-N 3.13Å; L409-N411 VanDerWaalsContact C-N 3.34Å; N411-T414 PolarHBondContact O-N 3.36Å; N411-Q415 WeakPolarHBondContact O-CG 3.47Å; N411-Q415 PolarHBondContact O-N 3.43Å; N411-Q415 PolarHBondContact O-NE2 2.84Å |
| 412 | E | 98.4 | Very high | 97.2 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -50.3 | 173.8 | -174 | 177.8 | -179.1 | 0 | 0 | 111.6 | M408 L409 T414 Q415 L416 | M408-E412 PolarHBondContact O-N 2.78Å; L409-E412 PolarHBondContact O-N 2.87Å; E412-T414 PolarHBondContact O-N 3.01Å; E412-Q415 PolarHBondContact O-N 2.79Å; E412-Q415 VanDerWaalsContact O-N 3.09Å; E412-L416 HydrophobicContact CG-CD1 4.08Å; E412-L416 HydrophobicContact CG-CG 4.44Å; E412-L416 WeakPolarHBondContact O-CG 3.29Å; E412-L416 PolarHBondContact O-N 3.42Å |
| 413 | V | 98.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 101.4 Ų | 101.4 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57 | -35.1 | 175.2 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | L409 K417 | L409-V413 WeakPolarHBondContact O-CB 3.42Å; L409-V413 WeakPolarHBondContact O-CG2 3.37Å; L409-V413 PolarHBondContact O-N 3.41Å; V413-K417 HydrophobicContact CG1-CD 4.11Å; V413-K417 WeakPolarHBondContact O-CB 3.33Å; V413-K417 VanDerWaalsContact O-CG 3.23Å; V413-K417 WeakPolarHBondContact O-CG 3.36Å; V413-K417 PolarHBondContact O-N 3.3Å |
| 414 | T | 98.1 | Very high | 96 | Very high | 88 Ų | 88 | 102.4 Ų | 102.4 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.6 | -43.5 | 176.5 | -57 | 0 | 0 | 0 | 0 | 111.7 | K410 N411 E412 K417 Q418 | K410-T414 WeakPolarHBondContact O-CB 3.34Å; K410-T414 PolarHBondContact O-N 2.92Å; K410-T414 PolarHBondContact O-OG1 2.85Å; N411-T414 PolarHBondContact O-N 3.36Å; E412-T414 PolarHBondContact O-N 3.01Å; T414-K417 PolarHBondContact O-N 3.31Å; T414-Q418 WeakPolarHBondContact O-CB 3.2Å; T414-Q418 PolarHBondContact O-N 2.83Å |
| 415 | Q | 98.1 | Very high | 95.1 | Very high | 135 Ų | 135 | 103.7 Ų | 103.7 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 174.6 | -74.2 | 167 | 96.2 | 0 | 0 | 112.2 | N411 E412 Q418 L419 | N411-Q415 WeakPolarHBondContact O-CG 3.47Å; N411-Q415 PolarHBondContact O-N 3.43Å; N411-Q415 PolarHBondContact O-NE2 2.84Å; E412-Q415 PolarHBondContact O-N 2.79Å; E412-Q415 VanDerWaalsContact O-N 3.09Å; Q415-Q418 PolarHBondContact O-N 3.47Å; Q415-L419 WeakPolarHBondContact O-CB 3.41Å; Q415-L419 PolarHBondContact O-N 3.49Å |
| 416 | L | 97.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 100.3 Ų | 100.3 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 177 | -68.3 | 172.9 | 0 | 0 | 0 | 111.7 | E412 L419 L420 | E412-L416 HydrophobicContact CG-CD1 4.08Å; E412-L416 HydrophobicContact CG-CG 4.44Å; E412-L416 WeakPolarHBondContact O-CG 3.29Å; E412-L416 PolarHBondContact O-N 3.42Å; L416-L419 PolarHBondContact O-N 3.39Å; L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.35Å; L416-L420 PolarHBondContact O-N 3.41Å |
| 417 | K | 96.2 | Very high | 93.1 | Very high | 141 Ų | 141 | 101.5 Ų | 101.5 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62 | -42 | 172.5 | -77.5 | 173 | 179.1 | -180 | 0 | 112.2 | V413 T414 L420 L421 | V413-K417 HydrophobicContact CG1-CD 4.11Å; V413-K417 WeakPolarHBondContact O-CB 3.33Å; V413-K417 VanDerWaalsContact O-CG 3.23Å; V413-K417 WeakPolarHBondContact O-CG 3.36Å; V413-K417 PolarHBondContact O-N 3.3Å; T414-K417 PolarHBondContact O-N 3.31Å; K417-L420 PolarHBondContact O-N 2.82Å; K417-L421 WeakPolarHBondContact O-CB 3.47Å; K417-L421 PolarHBondContact O-N 2.92Å |
| 418 | Q | 96.8 | Very high | 92 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 176.8 | -175.8 | 58.4 | 42.8 | 0 | 0 | 111.6 | T414 Q415 L421 T422 | T414-Q418 WeakPolarHBondContact O-CB 3.2Å; T414-Q418 PolarHBondContact O-N 2.83Å; Q415-Q418 PolarHBondContact O-N 3.47Å; Q418-L421 PolarHBondContact O-N 2.67Å; Q418-T422 PolarHBondContact O-N 2.89Å; Q418-T422 PolarHBondContact O-OG1 2.98Å |
| 419 | L | 95.4 | Very high | 90.6 | Very high | 94 Ų | 94 | 100.8 Ų | 100.8 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 176.8 | -176.3 | 63.1 | 0 | 0 | 0 | 111.4 | Q415 L416 L421 T422 H423 | Q415-L419 WeakPolarHBondContact O-CB 3.41Å; Q415-L419 PolarHBondContact O-N 3.49Å; L416-L419 PolarHBondContact O-N 3.39Å; L419-L421 VanDerWaalsContact C-N 3.28Å; L419-L421 PolarHBondContact O-N 3.24Å; L419-T422 WeakPolarHBondContact CA-OG1 3.44Å; L419-T422 PolarHBondContact O-N 2.75Å; L419-T422 PolarHBondContact O-OG1 3.34Å; L419-H423 PolarHBondContact O-CD2 3.01Å; L419-H423 VanDerWaalsContact O-CD2 3.31Å; L419-H423 PolarHBondContact O-N 3.05Å |
| 420 | L | 92.8 | Very high | 89 | Confident | 130 Ų | 130 | 100 Ų | 100 | 68% | 0.681 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.6 | -39.4 | 174.1 | -71.6 | 170.3 | 0 | 0 | 0 | 111.9 | L416 K417 H423 K424 | L416-L420 WeakPolarHBondContact O-CB 3.49Å; L416-L420 VanDerWaalsContact O-CG 3.32Å; L416-L420 WeakPolarHBondContact O-CG 3.35Å; L416-L420 PolarHBondContact O-N 3.41Å; K417-L420 PolarHBondContact O-N 2.82Å; L420-H423 PolarHBondContact O-N 2.83Å; L420-K424 PolarHBondContact O-N 2.65Å |
| 421 | L | 92.7 | Very high | 87.4 | Confident | 105 Ų | 105 | 99 Ų | 99 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 176.2 | -172.7 | 60.8 | 0 | 0 | 0 | 112.2 | K417 Q418 L419 H423 K424 | K417-L421 WeakPolarHBondContact O-CB 3.47Å; K417-L421 PolarHBondContact O-N 2.92Å; Q418-L421 PolarHBondContact O-N 2.67Å; L419-L421 VanDerWaalsContact C-N 3.28Å; L419-L421 PolarHBondContact O-N 3.24Å; L421-H423 VanDerWaalsContact C-N 3.3Å; L421-H423 PolarHBondContact O-N 2.98Å; L421-K424 HydrophobicContact CD1-CD 4.34Å; L421-K424 VanDerWaalsContact O-CB 3.26Å; L421-K424 WeakPolarHBondContact O-CB 3.36Å; L421-K424 PolarHBondContact O-N 2.9Å |
| 422 | T | 91 | Very high | 86 | Confident | 89 Ų | 89 | 100.3 Ų | 100.3 | 55% | 0.546 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -28 | 174.9 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | Q418 L419 | Q418-T422 PolarHBondContact O-N 2.89Å; Q418-T422 PolarHBondContact O-OG1 2.98Å; L419-T422 WeakPolarHBondContact CA-OG1 3.44Å; L419-T422 PolarHBondContact O-N 2.75Å; L419-T422 PolarHBondContact O-OG1 3.34Å |
| 423 | H | 86.9 | Confident | 84.4 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 47% | 0.468 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -91.8 | -1.5 | 176.2 | -74.1 | -68.3 | 0 | 0 | 0 | 114.5 | L419 L420 L421 D425 C426 | L419-H423 PolarHBondContact O-CD2 3.01Å; L419-H423 VanDerWaalsContact O-CD2 3.31Å; L419-H423 PolarHBondContact O-N 3.05Å; L420-H423 PolarHBondContact O-N 2.83Å; L421-H423 VanDerWaalsContact C-N 3.3Å; L421-H423 PolarHBondContact O-N 2.98Å; H423-D425 PolarHBondContact O-N 3.5Å; H423-D425 VanDerWaalsContact O-N 3.15Å; H423-C426 HydrophobicContact CB-CB 4.46Å; H423-C426 WeakPolarHBondContact O-CB 3.48Å; H423-C426 PolarHBondContact O-N 2.84Å; H423-C426 VanDerWaalsContact O-N 3.07Å |
| 424 | K | 84 | Confident | 82.8 | Confident | 124 Ų | 124 | 106.9 Ų | 106.9 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -45.6 | -178.4 | 175.1 | 179.5 | 158.5 | -78.2 | 0 | 113.2 | L420 L421 | L420-K424 PolarHBondContact O-N 2.65Å; L421-K424 HydrophobicContact CD1-CD 4.34Å; L421-K424 VanDerWaalsContact O-CB 3.26Å; L421-K424 WeakPolarHBondContact O-CB 3.36Å; L421-K424 PolarHBondContact O-N 2.9Å |
| 425 | D | 79.2 | Confident | 81.2 | Confident | 116 Ų | 116 | 107.3 Ų | 107.3 | 62% | 0.62 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 26.6 | -173.5 | -54.1 | -60.5 | 0 | 0 | 0 | 111.3 | H423 | H423-D425 PolarHBondContact O-N 3.5Å; H423-D425 VanDerWaalsContact O-N 3.15Å |
| 426 | C | 83.9 | Confident | 79.5 | Confident | 31 Ų | 31 | 109 Ų | 109 | 21% | 0.209 | 56% | 0.559 | C | S | . | * | trans | -67.5 | 133.1 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | H423 I428 T429 T430 | H423-C426 HydrophobicContact CB-CB 4.46Å; H423-C426 WeakPolarHBondContact O-CB 3.48Å; H423-C426 PolarHBondContact O-N 2.84Å; H423-C426 VanDerWaalsContact O-N 3.07Å; C426-I428 VanDerWaalsContact C-N 3.25Å; C426-I428 PolarHBondContact O-N 3.08Å; C426-T429 WeakPolarHBondContact O-CA 3.48Å; C426-T429 WeakPolarHBondContact O-CB 3.39Å; C426-T429 PolarHBondContact O-N 3.03Å; C426-T430 PolarHBondContact O-N 2.88Å | ||
| 427 | P | 72.7 | Confident | 77.1 | Confident | 95 Ų | 95 | 106.7 Ų | 106.7 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.1 | -26.4 | -176 | 23.2 | -33.9 | 0 | 0 | 0 | 114.2 | T430 M431 | P427-T430 WeakPolarHBondContact CA-OG1 3.36Å; P427-T430 PolarHBondContact O-OG1 2.73Å; P427-M431 WeakPolarHBondContact O-CB 3.3Å; P427-M431 WeakPolarHBondContact O-CG 3.44Å; P427-M431 PolarHBondContact O-N 3.13Å; P427-M431 VanDerWaalsContact O-N 3.07Å |
| 428 | I | 75 | Confident | 74.8 | Confident | 115 Ų | 115 | 111.4 Ų | 111.4 | 59% | 0.59 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.4 | -40.1 | 173.2 | -64.4 | 176.5 | 0 | 0 | 0 | 110.3 | C426 M431 Q432 | C426-I428 VanDerWaalsContact C-N 3.25Å; C426-I428 PolarHBondContact O-N 3.08Å; I428-M431 PolarHBondContact O-N 2.65Å; I428-Q432 WeakPolarHBondContact O-CB 3.42Å; I428-Q432 WeakPolarHBondContact O-CG 3.41Å; I428-Q432 PolarHBondContact O-N 3.1Å |
| 429 | T | 69.1 | Low | 72.5 | Confident | 67 Ų | 67 | 114.3 Ų | 114.3 | 41% | 0.411 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.1 | -36.5 | 180 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | C426 K433 | C426-T429 WeakPolarHBondContact O-CA 3.48Å; C426-T429 WeakPolarHBondContact O-CB 3.39Å; C426-T429 PolarHBondContact O-N 3.03Å; T429-K433 WeakPolarHBondContact O-CB 3.35Å; T429-K433 PolarHBondContact O-N 3.12Å |
| 430 | T | 65.6 | Low | 70.1 | Confident | 72 Ų | 72 | 114.9 Ų | 114.9 | 44% | 0.442 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68 | -45.7 | 172.6 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | C426 P427 Q432 K433 E434 | C426-T430 PolarHBondContact O-N 2.88Å; P427-T430 WeakPolarHBondContact CA-OG1 3.36Å; P427-T430 PolarHBondContact O-OG1 2.73Å; T430-Q432 VanDerWaalsContact C-N 3.33Å; T430-Q432 PolarHBondContact O-N 2.76Å; T430-K433 PolarHBondContact O-N 3.28Å; T430-K433 VanDerWaalsContact O-N 3.14Å; T430-E434 WeakPolarHBondContact O-CB 3.18Å; T430-E434 PolarHBondContact O-N 3.47Å |
| 431 | M | 65.8 | Low | 68.1 | Low | 111 Ų | 111 | 114.9 Ų | 114.9 | 55% | 0.547 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.5 | -35.9 | 176.6 | -68.2 | -97.3 | 72.6 | 0 | 0 | 112.8 | P427 I428 E434 S435 | P427-M431 WeakPolarHBondContact O-CB 3.3Å; P427-M431 WeakPolarHBondContact O-CG 3.44Å; P427-M431 PolarHBondContact O-N 3.13Å; P427-M431 VanDerWaalsContact O-N 3.07Å; I428-M431 PolarHBondContact O-N 2.65Å; M431-E434 WeakPolarHBondContact CE-OE2 3.23Å; M431-E434 PolarHBondContact O-N 2.95Å; M431-S435 WeakPolarHBondContact O-CB 3.36Å; M431-S435 PolarHBondContact O-N 2.71Å; M431-S435 PolarHBondContact O-OG 3.3Å |
| 432 | Q | 67.3 | Low | 65.8 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 55% | 0.547 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.2 | -40 | 172.7 | -79 | -176.5 | -44.1 | 0 | 0 | 112.5 | I428 T430 E434 S435 Q436 | I428-Q432 WeakPolarHBondContact O-CB 3.42Å; I428-Q432 WeakPolarHBondContact O-CG 3.41Å; I428-Q432 PolarHBondContact O-N 3.1Å; T430-Q432 VanDerWaalsContact C-N 3.33Å; T430-Q432 PolarHBondContact O-N 2.76Å; Q432-E434 VanDerWaalsContact C-N 3.31Å; Q432-E434 PolarHBondContact O-N 3.32Å; Q432-S435 WeakPolarHBondContact CA-OG 3.45Å; Q432-S435 PolarHBondContact O-N 2.94Å; Q432-S435 PolarHBondContact O-OG 3.17Å; Q432-Q436 PolarHBondContact O-N 2.92Å |
| 433 | K | 65.9 | Low | 63.6 | Low | 175 Ų | 175 | 118.1 Ų | 118.1 | 76% | 0.761 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.5 | -34 | 176.4 | -170.4 | 178.3 | -179.6 | -176.2 | 0 | 112.4 | T429 T430 | T429-K433 WeakPolarHBondContact O-CB 3.35Å; T429-K433 PolarHBondContact O-N 3.12Å; T430-K433 PolarHBondContact O-N 3.28Å; T430-K433 VanDerWaalsContact O-N 3.14Å |
| 434 | E | 63.9 | Low | 61.3 | Low | 142 Ų | 142 | 119 Ų | 119 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.5 | -32.5 | 177.5 | -167.7 | 164.9 | -159.1 | 0 | 0 | 112.3 | T430 M431 Q432 | T430-E434 WeakPolarHBondContact O-CB 3.18Å; T430-E434 PolarHBondContact O-N 3.47Å; M431-E434 WeakPolarHBondContact CE-OE2 3.23Å; M431-E434 PolarHBondContact O-N 2.95Å; Q432-E434 VanDerWaalsContact C-N 3.31Å; Q432-E434 PolarHBondContact O-N 3.32Å |
| 435 | S | 66.3 | Low | 60.5 | Low | 97 Ų | 97 | 119.1 Ų | 119.1 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -86.7 | -6.5 | -179.3 | 51.7 | 0 | 0 | 0 | 0 | 115.8 | M431 Q432 | M431-S435 WeakPolarHBondContact O-CB 3.36Å; M431-S435 PolarHBondContact O-N 2.71Å; M431-S435 PolarHBondContact O-OG 3.3Å; Q432-S435 WeakPolarHBondContact CA-OG 3.45Å; Q432-S435 PolarHBondContact O-N 2.94Å; Q432-S435 PolarHBondContact O-OG 3.17Å |
| 436 | Q | 60.3 | Low | 58.8 | Low | 170 Ų | 170 | 118.7 Ų | 118.7 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 5.8 | 175.8 | -78.8 | -168.6 | -17.1 | 0 | 0 | 115.3 | Q432 | Q432-Q436 PolarHBondContact O-N 2.92Š|
| 437 | G | 48.2 | Very low | 56.5 | Low | 42 Ų | 42 | 121.2 Ų | 121.2 | 43% | 0.433 | 70% | 0.701 | S | S | . | * | trans | 94.7 | 148.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L439 | G437-L439 VanDerWaalsContact C-N 3.3Š| ||
| 438 | Y | 47.5 | Very low | 54.9 | Low | 240 Ų | 240 | 122.3 Ų | 122.3 | 94% | 0.941 | 71% | 0.711 | S | S | * | * | cis | 62.1 | 26.4 | 19.4 | -114 | -74.6 | 0 | 0 | 0 | 115.2 | ||||
| 439 | L | 49.7 | Very low | 53.6 | Low | 167 Ų | 167 | 122.5 Ų | 122.5 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -125.2 | 72.5 | 162.1 | -71 | 178.9 | 0 | 0 | 0 | 110.5 | G437 | G437-L439 VanDerWaalsContact C-N 3.3Š| ||
| 440 | S | 45.3 | Very low | 52.6 | Low | 106 Ų | 106 | 125.7 Ų | 125.7 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -137 | 132.4 | 162.6 | -174.2 | 0 | 0 | 0 | 0 | 108.1 | ||
| 441 | P | 50.4 | Low | 51.4 | Low | 131 Ų | 131 | 128 Ų | 128 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | -62 | 154.1 | -177.6 | -25.7 | 35.8 | 0 | 0 | 0 | 114.6 | ||||
| 442 | E | 43.1 | Very low | 50.2 | Low | 172 Ų | 172 | 128.9 Ų | 128.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -90.1 | 152.4 | -167.1 | 167.7 | 65.5 | 137 | 0 | 0 | 113.8 | ||||
| 443 | S | 45.4 | Very low | 48.7 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | 63.3 | 119.7 | 161.3 | 64.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 444 | S | 39.1 | Very low | 47.3 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | -160 | 150.5 | 106.5 | -79.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 445 | P | 67 | Low | 46.5 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -119.1 | 178.6 | -161.3 | 42.5 | -31.9 | 0 | 0 | 0 | 116.5 | ||||
| 446 | A | 43 | Very low | 45.3 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | 82.3 | 127.4 | 166 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 447 | G | 36.4 | Very low | 44.6 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | 140.9 | 99.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 448 | S | 38.5 | Very low | 44.1 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -95.3 | 170.6 | 176.2 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 449 | P | 48.9 | Very low | 43.7 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | cis | -121 | -174.2 | -3.1 | 41.8 | -28.5 | 0 | 0 | 0 | 113.7 | ||||
| 450 | T | 47.3 | Very low | 43.4 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 143.3 | 174 | 43.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 451 | P | 40.3 | Very low | 43.2 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 150.3 | 143.4 | 34.4 | -29.8 | 0 | 0 | 0 | 110.7 | C453 | P451-C453 PolarHBondContact O-N 3.47Š|
| 452 | V | 40 | Very low | 42.6 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74 | 117.8 | 177.4 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | S454 | V452-S454 PolarHBondContact O-N 2.66Å; V452-S454 VanDerWaalsContact O-N 3.08Å |
| 453 | C | 35.3 | Very low | 42.3 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | trans | -80.8 | 82.7 | 171.6 | -168.5 | 0 | 0 | 0 | 0 | 110.4 | P451 | P451-C453 PolarHBondContact O-N 3.47Š| ||
| 454 | S | 38.4 | Very low | 42 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 147.8 | 168.4 | -67.9 | 0 | 0 | 0 | 0 | 111 | V452 Q456 | V452-S454 PolarHBondContact O-N 2.66Å; V452-S454 VanDerWaalsContact O-N 3.08Å; S454-Q456 PolarHBondContact O-N 3.38Å | ||
| 455 | Q | 46.8 | Very low | 41.8 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -65.1 | 122.3 | 174.9 | -57.4 | 174 | 35.1 | 0 | 0 | 110.9 | ||||
| 456 | Q | 40.4 | Very low | 40.3 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -165.3 | 100.2 | 133 | -112.2 | 167.8 | -9.6 | 0 | 0 | 114.2 | S454 | S454-Q456 PolarHBondContact O-N 3.38Š| ||
| 457 | Q | 44.8 | Very low | 39.8 | Very low | 162 Ų | 162 | 138 Ų | 138 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | 43.3 | 86.6 | 126.1 | -164 | 167.1 | 10.2 | 0 | 0 | 118.4 | V459 | Q457-V459 HydrophobicContact CG-CG2 4.24Š| |||
| 458 | Q | 38.8 | Very low | 39.5 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -74.7 | 123 | 155.6 | -76.7 | -166.9 | -26.3 | 0 | 0 | 110.4 | I460 | Q458-I460 PolarHBondContact O-N 2.93Š| ||
| 459 | V | 38.8 | Very low | 39.2 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | trans | -88.4 | 106.4 | 179.1 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | Q457 Q461 | Q457-V459 HydrophobicContact CG-CG2 4.24Å; V459-Q461 HydrophobicContact CG1-CG 4.48Å; V459-Q461 PolarHBondContact O-N 3.36Å | ||
| 460 | I | 44.2 | Very low | 38.3 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -74.7 | 103.4 | 164.2 | -62.2 | 179 | 0 | 0 | 0 | 107.7 | Q458 H462 | Q458-I460 PolarHBondContact O-N 2.93Å; I460-H462 PolarHBondContact O-N 3.17Å; I460-H462 PolarHBondContact O-ND1 3.02Å | ||
| 461 | Q | 40.5 | Very low | 37.7 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 123.7 | -178.4 | -60.3 | 179.8 | 17.6 | 0 | 0 | 110.5 | V459 | V459-Q461 HydrophobicContact CG1-CG 4.48Å; V459-Q461 PolarHBondContact O-N 3.36Å | ||
| 462 | H | 38.6 | Very low | 37.5 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | -130.5 | 118.7 | 166 | 52.3 | -76.9 | 0 | 0 | 0 | 107.6 | I460 T464 | I460-H462 PolarHBondContact O-N 3.17Å; I460-H462 PolarHBondContact O-ND1 3.02Å; H462-T464 PolarHBondContact O-N 3.19Å | ||
| 463 | N | 36.4 | Very low | 37 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -70.6 | 105.6 | -170.7 | -80.3 | -13.4 | 0 | 0 | 0 | 111.7 | ||||
| 464 | T | 38.1 | Very low | 36.8 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -110.8 | 99.1 | 162.9 | 58.5 | 0 | 0 | 0 | 0 | 109.3 | H462 T466 | H462-T464 PolarHBondContact O-N 3.19Å; T464-T466 PolarHBondContact O-N 3.46Å; T464-T466 VanDerWaalsContact O-N 3.17Å | ||
| 465 | I | 35 | Very low | 36.4 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | trans | -76.6 | 101.7 | 171.5 | -59 | 176.5 | 0 | 0 | 0 | 107.9 | ||||
| 466 | T | 34.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -124.1 | 109.1 | 169.7 | -57.1 | 0 | 0 | 0 | 0 | 108.3 | T464 | T464-T466 PolarHBondContact O-N 3.46Å; T464-T466 VanDerWaalsContact O-N 3.17Å | ||
| 467 | T | 32.4 | Very low | 35.6 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -76.5 | 119.9 | 179.3 | 50.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 468 | S | 31.1 | Very low | 35.1 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -148 | 132.4 | 164.2 | -85.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 469 | T | 31.5 | Very low | 34.6 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | -103.9 | 130.9 | -169.6 | -45.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 470 | T | 30.8 | Very low | 34.3 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -150.4 | 164.3 | 153 | -1.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 471 | T | 35.3 | Very low | 33.6 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | -107.3 | 174.6 | -159.8 | 47.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 472 | V | 34.9 | Very low | 33.1 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | 74.9 | 139.4 | 174.4 | -35.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 473 | G | 30.9 | Very low | 32.8 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | 161.9 | 120.4 | -14.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 474 | G | 31.1 | Very low | 32.5 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 92% | 0.918 | 79% | 0.792 | S | S | * | * | trans | 70.1 | 124.3 | 157 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 475 | G | 29.9 | Very low | 32.4 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 168.7 | 69.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 476 | T | 35.6 | Very low | 32.4 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | trans | -77.8 | 142.5 | 176.1 | 45.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 477 | V | 33.8 | Very low | 32.5 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -119.8 | 143.5 | 159.1 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 478 | H | 34.9 | Very low | 32.5 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -134.3 | 145.9 | -167.8 | -148 | 87.5 | 0 | 0 | 0 | 111.7 | ||||
| 479 | G | 28.7 | Very low | 33.7 | Very low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 93 | 155.9 | 171 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 480 | Q | 31.3 | Very low | 34 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | cis | -166.4 | 161.9 | -16.1 | -136.6 | -175.7 | 24.4 | 0 | 0 | 110.2 | ||||
| 481 | A | 30.2 | Very low | 34.4 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 56% | 0.562 | 80% | 0.801 | S | S | * | * | trans | 66.2 | 117.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 482 | N | 29.4 | Very low | 34.4 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | 92 | 137.4 | 116.5 | -77.8 | -6 | 0 | 0 | 0 | 123.8 | |||||
| 483 | H | 31.8 | Very low | 34.3 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | 70.8 | 112.1 | 153 | -50.6 | -26.5 | 0 | 0 | 0 | 116.5 | ||||
| 484 | R | 30.5 | Very low | 34.5 | Very low | 235 Ų | 235 | 140.3 Ų | 140.3 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | 91.7 | 99.5 | 64.1 | -177.4 | -158.9 | 176 | -169.9 | -1.2 | 111.7 | |||||
| 485 | T | 35.9 | Very low | 34.7 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | trans | -140.8 | 139.9 | 153 | -23.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 486 | D | 35.9 | Very low | 35 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -139.7 | 173.9 | 176.2 | -161.2 | -28.4 | 0 | 0 | 0 | 105.8 | ||||
| 487 | V | 37 | Very low | 35 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | 72.1 | 130 | 178.7 | -176.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 488 | N | 32.7 | Very low | 35.1 | Very low | 135 Ų | 135 | 148 Ų | 148 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | cis | -158.4 | 168.1 | -10 | -123.9 | 6.1 | 0 | 0 | 0 | 110.4 | ||||
| 489 | P | 55.1 | Low | 35.1 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | trans | -99.7 | 151 | 154.3 | 37.3 | -29.5 | 0 | 0 | 0 | 112.1 | ||||
| 490 | I | 37.2 | Very low | 35.6 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | 69.2 | 136.4 | 173.8 | -45.8 | 172.4 | 0 | 0 | 0 | 112.5 | ||||
| 491 | H | 40.2 | Very low | 36 | Very low | 244 Ų | 244 | 148.8 Ų | 148.8 | 100% | 1.13 | 78% | 0.78 | S | S | * | * | cis | -129.4 | 0 | 11.6 | -160.3 | -48.2 | 0 | 0 | 0 | 111.7 |
Retrieved 491 of 491 residues in 94.5 ms
(Link to these results)