| 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 | 80.7 | Confident | 82.4 | Confident | 161 Ų | 161 | 86.4 Ų | 86.4 | 79% | 0.793 | 46% | 0.462 | S | S | * | . | 0 | 117.7 | 0 | -175.5 | -179.4 | -73.8 | 0 | 0 | 108 | L3 F9 | M1-L3 HydrophobicContact CG-CD2 4Å; M1-L3 HydrophobicContact SD-CD2 4.04Å; M1-F9 PolarHBondContact N-O 3.45Å; M1-F9 WeakPolarHBondContact O-CB 3.4Å; M1-F9 PolarHBondContact O-N 3.45Å | |||
| 2 | N | 80.6 | Confident | 81.3 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 47% | 0.471 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -77.3 | 135 | 174.4 | -170.6 | -23.4 | 0 | 0 | 0 | 108.4 | G4 L7 L8 | N2-G4 PolarHBondContact OD1-N 2.65Å; N2-G4 VanDerWaalsContact OD1-N 3.07Å; N2-L7 PolarHBondContact OD1-O 3.05Å; N2-L8 HydrophobicContact CB-CD1 4.27Å |
| 3 | L | 83.9 | Confident | 80.1 | Confident | 103 Ų | 103 | 90.2 Ų | 90.2 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | trans | -107.4 | 0.5 | -174.8 | -58.8 | -173.4 | 0 | 0 | 0 | 113.6 | M1 L7 F9 L18 | M1-L3 HydrophobicContact CG-CD2 4Å; M1-L3 HydrophobicContact SD-CD2 4.04Å; L3-L7 PolarHBondContact N-O 3.31Å; L3-F9 HydrophobicContact CD1-CB 3.99Å; L3-F9 HydrophobicContact CD2-CB 4.46Å; L3-F9 HydrophobicContact CG-CB 4.12Å; L3-L18 HydrophobicContact CD1-CD1 3.87Å | ||
| 4 | G | 70.6 | Confident | 80.1 | Confident | 34 Ų | 34 | 87.9 Ų | 87.9 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | S | Bend | trans | 92.4 | -179.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N2 G6 L7 | N2-G4 PolarHBondContact OD1-N 2.65Å; N2-G4 VanDerWaalsContact OD1-N 3.07Å; G4-G6 PolarHBondContact O-N 3.29Å; G4-L7 PolarHBondContact O-N 3.13Å |
| 5 | D | 76.1 | Confident | 79.8 | Confident | 164 Ų | 164 | 92.3 Ų | 92.3 | 88% | 0.877 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 27 | 174.2 | -57.4 | -15.1 | 0 | 0 | 0 | 116.2 | ||
| 6 | G | 81.4 | Confident | 80.3 | Confident | 15 Ų | 15 | 92.3 Ų | 92.3 | 16% | 0.155 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 31.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | G4 L20 L21 | G4-G6 PolarHBondContact O-N 3.29Å; G6-L20 CarbonylContact O-C 3.47Å; G6-L20 WeakPolarHBondContact O-CA 3.4Å; G6-L20 WeakPolarHBondContact O-CD1 3.43Å; G6-L21 PolarHBondContact O-N 3.34Å |
| 7 | L | 85.8 | Confident | 80.5 | Confident | 57 Ų | 57 | 94.2 Ų | 94.2 | 30% | 0.298 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.2 | 178.6 | -71.2 | 166.8 | 0 | 0 | 0 | 112.1 | N2 L3 G4 L18 L20 | N2-L7 PolarHBondContact OD1-O 3.05Å; L3-L7 PolarHBondContact N-O 3.31Å; G4-L7 PolarHBondContact O-N 3.13Å; L7-L18 HydrophobicContact CB-CD1 4.36Å; L7-L18 HydrophobicContact CD1-CD2 4.46Å; L7-L18 HydrophobicContact CD2-CD2 4.07Å; L7-L18 HydrophobicContact CD2-CG 4.13Å; L7-L20 HydrophobicContact CD2-CD1 3.69Å; L7-L20 HydrophobicContact CG-CD1 4.26Å |
| 8 | L | 87.1 | Confident | 81 | Confident | 45 Ų | 45 | 94.7 Ų | 94.7 | 24% | 0.236 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.2 | 175.4 | -178.4 | 69.6 | 0 | 0 | 0 | 110.1 | N2 L18 I19 L21 | N2-L8 HydrophobicContact CB-CD1 4.27Å; L8-L18 WeakPolarHBondContact O-CA 3.48Å; L8-I19 PolarHBondContact N-O 3.08Å; L8-I19 PolarHBondContact O-N 3.43Å; L8-L21 HydrophobicContact CB-CB 4.42Å; L8-L21 HydrophobicContact CB-CD1 4.33Å; L8-L21 HydrophobicContact CD2-CD1 4.22Å |
| 9 | F | 86.1 | Confident | 81.2 | Confident | 82 Ų | 82 | 93.3 Ų | 93.3 | 36% | 0.36 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.1 | 167.6 | 180 | -86.1 | 0 | 0 | 0 | 110.1 | M1 L3 P16 R17 L18 | M1-F9 PolarHBondContact N-O 3.45Å; M1-F9 WeakPolarHBondContact O-CB 3.4Å; M1-F9 PolarHBondContact O-N 3.45Å; L3-F9 HydrophobicContact CD1-CB 3.99Å; L3-F9 HydrophobicContact CD2-CB 4.46Å; L3-F9 HydrophobicContact CG-CB 4.12Å; F9-P16 HydrophobicContact CE2-CB 3.55Å; F9-P16 HydrophobicContact CZ-CB 3.54Å; F9-R17 WeakPolarHBondContact CA-O 3.44Å; F9-L18 HydrophobicContact CB-CD1 4.09Å |
| 10 | E | 87.7 | Confident | 81.2 | Confident | 92 Ų | 92 | 94.6 Ų | 94.6 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146 | -177.6 | -172.3 | 166.1 | -175.2 | 0 | 0 | 110.7 | R17 I19 | E10-R17 PolarHBondContact N-O 2.91Å; E10-R17 PolarHBondContact O-N 3.14Å; E10-I19 HydrophobicContact CB-CD1 4.25Å; E10-I19 WeakPolarHBondContact OE2-CD1 3.4Å |
| 11 | L | 86.4 | Confident | 80.9 | Confident | 109 Ų | 109 | 93 Ų | 93 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 69 | -174.9 | -165.9 | 76.8 | 0 | 0 | 0 | 111 | N13 | L11-N13 PolarHBondContact O-N 3.16Å |
| 12 | E | 68.9 | Low | 80 | Confident | 78 Ų | 78 | 91 Ų | 91 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 122 | -178.8 | -162.7 | -164 | 112.9 | 0 | 0 | 110.4 | G14 K15 R17 | E12-G14 PolarHBondContact O-N 3.09Å; E12-K15 PolarHBondContact N-O 2.79Å; E12-K15 PolarHBondContact O-N 2.97Å; E12-R17 HydrophobicContact CB-CG 4.25Å; E12-R17 IonicContact OE1-NH1 2.76Å; E12-R17 PolarHBondContact OE1-NH1 3.18Å; E12-R17 VanDerWaalsContact OE2-CD 3.24Å; E12-R17 WeakPolarHBondContact OE2-CD 3.31Å; E12-R17 IonicContact OE2-CZ 2.68Å; E12-R17 IonicContact OE2-NE 3.86Å; E12-R17 IonicContact OE2-NH1 3.25Å; E12-R17 PolarHBondContact OE2-NH1 2.81Å |
| 13 | N | 66.3 | Low | 78.4 | Confident | 144 Ų | 144 | 94.3 Ų | 94.3 | 77% | 0.77 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37.4 | -179.5 | -57.7 | -53.9 | 0 | 0 | 0 | 113.7 | L11 K15 | L11-N13 PolarHBondContact O-N 3.16Å; N13-K15 PolarHBondContact O-N 3.4Å |
| 14 | G | 79.4 | Confident | 76.3 | Confident | 59 Ų | 59 | 93.4 Ų | 93.4 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 4.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | E12 | E12-G14 PolarHBondContact O-N 3.09Š|
| 15 | K | 75.5 | Confident | 74.9 | Confident | 153 Ų | 153 | 95.8 Ų | 95.8 | 67% | 0.665 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.4 | 179.3 | -66.8 | 177.7 | -177.9 | 174 | 0 | 110.4 | E12 N13 R17 | E12-K15 PolarHBondContact N-O 2.79Å; E12-K15 PolarHBondContact O-N 2.97Å; N13-K15 PolarHBondContact O-N 3.4Å; K15-R17 PolarHBondContact O-N 3.04Å |
| 16 | P | 89.1 | Confident | 72.8 | Confident | 93 Ų | 93 | 93.9 Ų | 93.9 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 124.5 | 177.9 | 28.2 | -34.2 | 0 | 0 | 0 | 110.3 | F9 | F9-P16 HydrophobicContact CE2-CB 3.55Å; F9-P16 HydrophobicContact CZ-CB 3.54Å |
| 17 | R | 83.6 | Confident | 71 | Confident | 124 Ų | 124 | 99.2 Ų | 99.2 | 47% | 0.468 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.8 | 172.1 | -56.1 | -170.7 | 75 | 167.9 | -4.6 | 108.8 | F9 E10 E12 K15 | F9-R17 WeakPolarHBondContact CA-O 3.44Å; E10-R17 PolarHBondContact N-O 2.91Å; E10-R17 PolarHBondContact O-N 3.14Å; E12-R17 HydrophobicContact CB-CG 4.25Å; E12-R17 IonicContact OE1-NH1 2.76Å; E12-R17 PolarHBondContact OE1-NH1 3.18Å; E12-R17 VanDerWaalsContact OE2-CD 3.24Å; E12-R17 WeakPolarHBondContact OE2-CD 3.31Å; E12-R17 IonicContact OE2-CZ 2.68Å; E12-R17 IonicContact OE2-NE 3.86Å; E12-R17 IonicContact OE2-NH1 3.25Å; E12-R17 PolarHBondContact OE2-NH1 2.81Å; K15-R17 PolarHBondContact O-N 3.04Å |
| 18 | L | 89.8 | Confident | 68.7 | Low | 104 Ų | 104 | 105.6 Ų | 105.6 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.9 | 172.6 | -166 | 73 | 0 | 0 | 0 | 108.1 | L3 L7 L8 F9 | L3-L18 HydrophobicContact CD1-CD1 3.87Å; L7-L18 HydrophobicContact CB-CD1 4.36Å; L7-L18 HydrophobicContact CD1-CD2 4.46Å; L7-L18 HydrophobicContact CD2-CD2 4.07Å; L7-L18 HydrophobicContact CD2-CG 4.13Å; L8-L18 WeakPolarHBondContact O-CA 3.48Å; F9-L18 HydrophobicContact CB-CD1 4.09Å |
| 19 | I | 84.8 | Confident | 66.2 | Low | 67 Ų | 67 | 110.5 Ų | 110.5 | 34% | 0.344 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.8 | 136.1 | -169.9 | -55.3 | 177.4 | 0 | 0 | 0 | 108.3 | L8 E10 L21 | L8-I19 PolarHBondContact N-O 3.08Å; L8-I19 PolarHBondContact O-N 3.43Å; E10-I19 HydrophobicContact CB-CD1 4.25Å; E10-I19 WeakPolarHBondContact OE2-CD1 3.4Å; I19-L21 PolarHBondContact O-N 3.02Å |
| 20 | L | 80.8 | Confident | 64.4 | Low | 120 Ų | 120 | 112.2 Ų | 112.2 | 63% | 0.628 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 112.7 | 175.1 | -160.7 | 76.2 | 0 | 0 | 0 | 109.4 | G6 L7 T22 | G6-L20 CarbonylContact O-C 3.47Å; G6-L20 WeakPolarHBondContact O-CA 3.4Å; G6-L20 WeakPolarHBondContact O-CD1 3.43Å; L7-L20 HydrophobicContact CD2-CD1 3.69Å; L7-L20 HydrophobicContact CG-CD1 4.26Å; L20-T22 PolarHBondContact O-N 2.94Å; L20-T22 VanDerWaalsContact O-N 3.17Å |
| 21 | L | 73.8 | Confident | 62 | Low | 62 Ų | 62 | 116.1 Ų | 116.1 | 33% | 0.325 | 65% | 0.653 | S | S | . | * | trans | -78.2 | 93.7 | -179.8 | -165.6 | 74.5 | 0 | 0 | 0 | 109.7 | G6 L8 I19 H23 | G6-L21 PolarHBondContact O-N 3.34Å; L8-L21 HydrophobicContact CB-CB 4.42Å; L8-L21 HydrophobicContact CB-CD1 4.33Å; L8-L21 HydrophobicContact CD2-CD1 4.22Å; I19-L21 PolarHBondContact O-N 3.02Å; L21-H23 PolarHBondContact O-CD2 2.98Å; L21-H23 VanDerWaalsContact O-CD2 3.3Å; L21-H23 PolarHBondContact O-N 2.92Å | ||
| 22 | T | 62.6 | Low | 60 | Low | 119 Ų | 119 | 119.7 Ų | 119.7 | 73% | 0.73 | 66% | 0.664 | S | S | * | * | trans | -69.1 | 98.6 | -180 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | L20 A24 | L20-T22 PolarHBondContact O-N 2.94Å; L20-T22 VanDerWaalsContact O-N 3.17Å; T22-A24 PolarHBondContact O-N 3.3Å | ||
| 23 | H | 46.7 | Very low | 58.6 | Low | 157 Ų | 157 | 123.5 Ų | 123.5 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -67.2 | 92.1 | 171.6 | -74.4 | -93.8 | 0 | 0 | 0 | 110.8 | L21 | L21-H23 PolarHBondContact O-CD2 2.98Å; L21-H23 VanDerWaalsContact O-CD2 3.3Å; L21-H23 PolarHBondContact O-N 2.92Å | ||
| 24 | A | 40.8 | Very low | 57.4 | Low | 84 Ų | 84 | 121.4 Ų | 121.4 | 69% | 0.694 | 68% | 0.68 | S | S | * | * | trans | -136.2 | 87.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | T22 V26 | T22-A24 PolarHBondContact O-N 3.3Å; A24-V26 PolarHBondContact O-N 3.04Å | ||
| 25 | G | 40.1 | Very low | 55.2 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 87% | 0.866 | 68% | 0.678 | S | S | * | * | trans | -81.9 | 83.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 26 | V | 32.6 | Very low | 53.1 | Low | 123 Ų | 123 | 123.9 Ų | 123.9 | 75% | 0.745 | 68% | 0.684 | S | S | * | * | trans | -147.7 | 128.7 | 156.2 | 168.8 | 0 | 0 | 0 | 0 | 108.9 | A24 | A24-V26 PolarHBondContact O-N 3.04Š| ||
| 27 | V | 42.2 | Very low | 50.4 | Low | 128 Ų | 128 | 129 Ų | 129 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -76.1 | 128.7 | 177.4 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 28 | K | 39.2 | Very low | 47.9 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 83% | 0.826 | 72% | 0.721 | S | S | * | * | trans | -159.3 | 140.9 | 154.6 | -101.8 | 137.1 | -173.2 | 177.2 | 0 | 110 | ||||
| 29 | N | 34.3 | Very low | 45.4 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -79.9 | 154 | -166.9 | -75.5 | -41.9 | 0 | 0 | 0 | 114 | ||||
| 30 | P | 47.4 | Very low | 42.9 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -83.5 | 138.7 | -172.8 | 32.6 | -35.6 | 0 | 0 | 0 | 113.8 | ||||
| 31 | I | 38.2 | Very low | 40.6 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 89% | 0.892 | 76% | 0.758 | S | S | * | * | trans | -112.4 | 145 | 164.3 | -63.7 | 179 | 0 | 0 | 0 | 108.2 | ||||
| 32 | K | 44.5 | Very low | 38.8 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -95 | 175.9 | -162.2 | -61.6 | 177 | -179.6 | 176.4 | 0 | 113.8 | ||||
| 33 | L | 39.5 | Very low | 37.4 | Very low | 158 Ų | 158 | 140.6 Ų | 140.6 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 93.9 | 161.4 | 158.5 | -47.9 | -177.7 | 0 | 0 | 0 | 116.5 | ||||
| 34 | P | 40.3 | Very low | 36.6 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | -141.6 | 160.3 | -68.7 | 39.9 | -24.2 | 0 | 0 | 0 | 115.4 | |||||
| 35 | S | 34.2 | Very low | 36 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 58% | 0.58 | 79% | 0.786 | S | S | * | * | trans | 44.1 | 127.4 | 143.1 | 83.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 36 | K | 31.4 | Very low | 35.6 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | -175.7 | 155.7 | 68.5 | -84 | 128 | -174.4 | 173.2 | 0 | 109 | |||||
| 37 | H | 32.2 | Very low | 35.6 | Very low | 201 Ų | 201 | 148.9 Ų | 148.9 | 93% | 0.931 | 79% | 0.794 | S | S | * | * | -156.5 | 149.9 | 122.2 | -108.8 | -77.5 | 0 | 0 | 0 | 109.9 | |||||
| 38 | R | 31 | Very low | 35.4 | Very low | 240 Ų | 240 | 148.8 Ų | 148.8 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -113 | 144.5 | -168 | 179.6 | -179.5 | 179.9 | 175.6 | 0.9 | 110.1 | ||||
| 39 | A | 36.3 | Very low | 34.7 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -101.1 | 139.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 40 | A | 31.8 | Very low | 34.3 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 177.4 | 166.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 41 | S | 33.8 | Very low | 33.4 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | cis | -175.6 | 119.1 | -39.8 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | I | 34.6 | Very low | 32.7 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | 63.2 | 132.8 | 157.5 | -57.8 | 167.9 | 0 | 0 | 0 | 116.5 | ||||
| 43 | L | 34 | Very low | 32.1 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | -170.7 | 149.1 | 91.2 | -75.8 | 160 | 0 | 0 | 0 | 107.1 | |||||
| 44 | S | 30.4 | Very low | 31.4 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | 97 | 141.6 | 18.7 | -159.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 45 | A | 28.6 | Very low | 30.7 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | trans | 70.9 | 149.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 46 | R | 31.6 | Very low | 30.8 | Very low | 245 Ų | 245 | 148.8 Ų | 148.8 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | cis | -155.6 | 167.7 | -3.3 | -131.7 | 173.6 | -168.3 | -138 | 4.3 | 111.8 | ||||
| 47 | Q | 32.8 | Very low | 30.5 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -88.4 | 160 | 166.6 | -69.4 | 180 | -52.6 | 0 | 0 | 112.3 | ||||
| 48 | P | 36.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 146 Ų | 146 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -93.8 | 160.3 | 151.8 | 37.2 | -30.5 | 0 | 0 | 0 | 112.2 | ||||
| 49 | S | 26.5 | Very low | 30 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -122.9 | 172.2 | 174.6 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 50 | C | 24.6 | Very low | 29.4 | Very low | 112 Ų | 112 | 145 Ų | 145 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -63.8 | 174.9 | 162.1 | -41.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 51 | L | 28.3 | Very low | 29.1 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | cis | -162.9 | 141.1 | 6.8 | -151.6 | 168.8 | 0 | 0 | 0 | 107.7 | ||||
| 52 | E | 24.7 | Very low | 28.8 | Very low | 190 Ų | 190 | 147.9 Ų | 147.9 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -157.3 | 158.3 | 147.9 | -146.3 | 162.7 | 130.5 | 0 | 0 | 111.1 | ||||
| 53 | E | 30.3 | Very low | 28.6 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -140.1 | 121.1 | -164.6 | 174.5 | -179.5 | -161.2 | 0 | 0 | 110.8 | ||||
| 54 | V | 25.4 | Very low | 28.3 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | -146 | 124 | 166 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 55 | Q | 26.9 | Very low | 28.1 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -116.7 | 153.6 | 152.9 | -80.3 | -122.5 | 78.5 | 0 | 0 | 108.1 | ||||
| 56 | P | 34.6 | Very low | 28 | Very low | 110 Ų | 110 | 153 Ų | 153 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | -141.4 | 179.1 | 110.3 | 39 | -26.9 | 0 | 0 | 0 | 114.6 | |||||
| 57 | E | 26.1 | Very low | 27.8 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -51.1 | 160.7 | 169.1 | -60.2 | -177.6 | 90.8 | 0 | 0 | 112.4 | ||||
| 58 | E | 24.8 | Very low | 28.3 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | -157.2 | -162 | 61.9 | -131.3 | -159.8 | 130.2 | 0 | 0 | 116.7 | |||||
| 59 | R | 27.5 | Very low | 28 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | trans | -105.1 | 164.1 | -145.2 | -68.8 | 165.3 | 172 | 150.6 | -3.4 | 117.1 | ||||
| 60 | T | 23.9 | Very low | 28.1 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 81.2 | 154.4 | 138.9 | 32.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 61 | A | 26.3 | Very low | 28.2 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | 75.4 | 148.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 62 | Q | 27.1 | Very low | 28.3 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | cis | -173.9 | 147.5 | -42.3 | -125.8 | -168.6 | 22.8 | 0 | 0 | 108.4 | ||||
| 63 | Q | 30.8 | Very low | 28.3 | Very low | 173 Ų | 173 | 147.7 Ų | 147.7 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | 64.9 | 162.7 | 165.1 | -51.8 | 173.8 | 36 | 0 | 0 | 115.2 | ||||
| 64 | A | 28.1 | Very low | 28.1 | Very low | 98 Ų | 98 | 149 Ų | 149 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | cis | -137 | 166.8 | 0.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 65 | A | 25 | Very low | 28 | Very low | 91 Ų | 91 | 147 Ų | 147 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | -82.7 | 155.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 66 | R | 27.2 | Very low | 28 | Very low | 248 Ų | 248 | 143 Ų | 143 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | -179.4 | 141.3 | 116.7 | -100.5 | 176.1 | -175.5 | -126.8 | 2.5 | 114.7 | |||||
| 67 | G | 27 | Very low | 27.6 | Very low | 62 Ų | 62 | 142.9 Ų | 142.9 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | trans | -122.6 | -160.9 | 141.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 68 | P | 42.8 | Very low | 27.7 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | cis | -137.7 | 176.2 | -3.6 | 42.1 | -25.6 | 0 | 0 | 0 | 115.9 | ||||
| 69 | R | 31 | Very low | 28.1 | Very low | 212 Ų | 212 | 136.3 Ų | 136.3 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 67.5 | 135.7 | 143.1 | -89.9 | -180 | 169.2 | -144.5 | 11 | 124.4 | ||||
| 70 | E | 28.7 | Very low | 28.3 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | trans | 95.2 | 164 | 132 | -84.4 | 178.7 | -131.7 | 0 | 0 | 124.1 | ||||
| 71 | V | 26.7 | Very low | 28.7 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | 80.4 | 128.9 | 179.8 | -169.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 72 | R | 30 | Very low | 28.7 | Very low | 230 Ų | 230 | 133.1 Ų | 133.1 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | cis | 112.9 | 120.8 | -7.4 | -173.3 | -178.4 | 170.8 | -107 | 12.4 | 115.3 | ||||
| 73 | C | 24.8 | Very low | 28.7 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | cis | -172.2 | 168.3 | -20 | -164.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 74 | K | 25 | Very low | 28.5 | Very low | 199 Ų | 199 | 127.8 Ų | 127.8 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | 71.6 | 176 | 167.4 | -55.9 | 176.8 | 173.8 | -179.5 | 0 | 115.9 | ||||
| 75 | A | 24.3 | Very low | 28.3 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | cis | -158.1 | 157.8 | -11.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 76 | A | 26.6 | Very low | 28.5 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | 93.1 | 153.2 | 37.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 77 | A | 25.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 124 Ų | 124 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | 79.7 | 152.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 78 | A | 29.6 | Very low | 28.5 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | cis | -170.8 | 174.4 | -6.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 79 | A | 31.7 | Very low | 27.7 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -172.7 | -174.2 | -23.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 80 | S | 33.2 | Very low | 27.6 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 73.4 | 146.6 | 170.9 | -59.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 81 | S | 31.4 | Very low | 27.4 | Very low | 99 Ų | 99 | 120.9 Ų | 120.9 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | cis | -159.4 | 166.9 | 0.4 | -107 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 82 | C | 26.5 | Very low | 27.6 | Very low | 128 Ų | 128 | 126 Ų | 126 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | 54.4 | 152.4 | 168.5 | 48.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 83 | S | 26.8 | Very low | 27.6 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | cis | -163.7 | 147.2 | -4.8 | 42.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 84 | S | 25.8 | Very low | 27.6 | Very low | 118 Ų | 118 | 119.2 Ų | 119.2 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 49.7 | 149.7 | 149.2 | -57.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 85 | S | 25 | Very low | 27.6 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | cis | -169.7 | -175.2 | -16.3 | 55.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 86 | I | 28.5 | Very low | 27.8 | Very low | 162 Ų | 162 | 119.7 Ų | 119.7 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | trans | 58.8 | 145.4 | -176.6 | 69.3 | 160 | 0 | 0 | 0 | 116.5 | ||||
| 87 | S | 26.3 | Very low | 27.7 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -176.9 | 147.8 | -20.8 | 54.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 88 | T | 28.1 | Very low | 27.6 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | cis | -129 | -166.1 | 2.7 | 55.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 89 | T | 27 | Very low | 27.4 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | trans | -140.5 | -178.8 | -172.5 | 65.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 90 | D | 27.3 | Very low | 27.1 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | cis | -154.4 | 179.9 | 21.3 | -130.2 | -49.4 | 0 | 0 | 0 | 114.6 | ||||
| 91 | G | 26 | Very low | 26.8 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | -128.6 | -157.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 92 | R | 29.5 | Very low | 26.8 | Very low | 242 Ų | 242 | 129.3 Ų | 129.3 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | trans | -47 | 155.7 | 163.5 | -86.6 | 175.5 | 165.3 | -178.7 | -6.5 | 112.2 | ||||
| 93 | S | 29.7 | Very low | 26.7 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | cis | -176.6 | 173.6 | 3.9 | 44.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 94 | S | 26.3 | Very low | 26.9 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 68 | 133.9 | 142.6 | 66.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 95 | V | 23.6 | Very low | 27 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | -137.2 | 143 | 125.5 | 167.2 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 96 | L | 29.9 | Very low | 27.5 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -92 | 150.2 | 168.9 | -73.8 | 165.9 | 0 | 0 | 0 | 110.1 | ||||
| 97 | N | 23.1 | Very low | 27.7 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -140.7 | 148.7 | 142.9 | -108.2 | -24.7 | 0 | 0 | 0 | 109.7 | ||||
| 98 | S | 23.8 | Very low | 28.1 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -131.2 | 156.6 | -167.6 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 99 | S | 25.9 | Very low | 28.3 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | 71.2 | 159.9 | 165.4 | 86.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 100 | K | 24.4 | Very low | 28.6 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | cis | -176.3 | 152.2 | -26.5 | 172 | 170 | 179.8 | 177.4 | 0 | 108.5 | ||||
| 101 | T | 28.4 | Very low | 28.8 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | trans | 64.4 | 163 | 169.5 | 33.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 102 | P | 31.7 | Very low | 28.8 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | -101.2 | 164.5 | 2.3 | 39.4 | -32.8 | 0 | 0 | 0 | 114.3 | ||||
| 103 | G | 24.1 | Very low | 28.6 | Very low | 61 Ų | 61 | 140.2 Ų | 140.2 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | 103.1 | 64 | -5.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 104 | R | 31.3 | Very low | 28.6 | Very low | 235 Ų | 235 | 140.4 Ų | 140.4 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | -157.4 | 128.4 | 156.9 | -113.6 | 170.3 | -152.6 | -76.4 | -2.2 | 107.8 | ||||
| 105 | H | 27.9 | Very low | 28.6 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | 46.8 | 124.5 | 56.5 | -92 | -16.7 | 0 | 0 | 0 | 110.8 | |||||
| 106 | K | 34.1 | Very low | 28.8 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 68% | 0.683 | 79% | 0.786 | S | S | * | * | cis | -170.7 | -179.6 | 19.3 | -134.4 | 169.2 | 172.5 | -142.1 | 0 | 104.7 | ||||
| 107 | E | 33.7 | Very low | 28.7 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 51% | 0.514 | 78% | 0.784 | S | S | . | * | cis | -164.3 | -176 | 10 | -156.2 | 165 | -106.4 | 0 | 0 | 107.8 | ||||
| 108 | R | 34 | Very low | 29.2 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 47.8 | 102.8 | 158.3 | -73.1 | 147.2 | -172.4 | -87.2 | -2.1 | 117.5 | ||||
| 109 | A | 31.7 | Very low | 29.2 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | 60.9 | 120.4 | 61 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 110 | S | 33.5 | Very low | 29.5 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -163.1 | 162.7 | 143.9 | -84.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | K | 31.3 | Very low | 29.7 | Very low | 212 Ų | 212 | 145.2 Ų | 145.2 | 92% | 0.922 | 77% | 0.767 | S | S | * | * | trans | -112.5 | 140.8 | -166.2 | -54.7 | 168.8 | -178.9 | 174.2 | 0 | 112.7 | ||||
| 112 | A | 27.3 | Very low | 30 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -166.9 | 124.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 113 | M | 24.5 | Very low | 30 | Very low | 192 Ų | 192 | 150 Ų | 150 | 95% | 0.946 | 77% | 0.772 | S | S | * | * | 81.4 | 144.7 | 60.6 | -78.6 | -155.6 | 172 | 0 | 0 | 115.1 | |||||
| 114 | A | 29.2 | Very low | 30.3 | Very low | 99 Ų | 99 | 151.7 Ų | 151.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 72.6 | 115.1 | -167 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 115 | K | 26.4 | Very low | 30.1 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | cis | 78.3 | 138.4 | 20.8 | -141.2 | -179.4 | -170.3 | 178.1 | 0 | 113 | ||||
| 116 | V | 28.4 | Very low | 30.2 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | trans | 76.1 | 139.4 | 169.6 | 168.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 117 | K | 28.1 | Very low | 30.1 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | cis | -157.2 | 160.3 | 13.5 | -133.4 | 163.2 | -166.5 | 173.1 | 0 | 114.4 | ||||
| 118 | T | 32.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | trans | 15.3 | 132.2 | 141.9 | 59.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 119 | N | 24.8 | Very low | 30.6 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | 90.5 | 153.7 | 80.5 | -159.1 | 14.9 | 0 | 0 | 0 | 115.6 | |||||
| 120 | K | 32.8 | Very low | 30.5 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | trans | -48.2 | 144.5 | -175.8 | -54.4 | 157.6 | 174.3 | 177.1 | 0 | 116.3 | ||||
| 121 | H | 29.1 | Very low | 30.3 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 69% | 0.69 | 79% | 0.792 | S | S | * | * | 162.8 | 148.1 | 97.8 | -95 | -58.5 | 0 | 0 | 0 | 116.8 | |||||
| 122 | K | 34.2 | Very low | 30.4 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 55.7 | 130.9 | 142.3 | -69.9 | -180 | 176.7 | -176.8 | 0 | 122.6 | ||||
| 123 | L | 31.8 | Very low | 31.3 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | -137.9 | 121.9 | 121.1 | -73.1 | -175.8 | 0 | 0 | 0 | 105.9 | |||||
| 124 | S | 29.3 | Very low | 31.4 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | 49.9 | 127.3 | 89.3 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 125 | S | 28.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | cis | -152.2 | -173.4 | 12.3 | -131.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 126 | A | 28.2 | Very low | 31.4 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | -143.9 | -127.9 | 16.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 127 | V | 32.3 | Very low | 31.3 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -139.5 | 146.4 | -160.9 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 128 | G | 27.2 | Very low | 31.3 | Very low | 65 Ų | 65 | 136.4 Ų | 136.4 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | -96.5 | -134.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 129 | P | 51.3 | Low | 31.2 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | cis | -142.1 | -178.6 | 6.1 | 43.8 | -25.5 | 0 | 0 | 0 | 117.1 | ||||
| 130 | L | 30.8 | Very low | 32.3 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 95% | 0.948 | 78% | 0.776 | S | S | * | * | trans | 70.1 | 132.1 | 147.9 | -131.6 | 72.9 | 0 | 0 | 0 | 120.6 | ||||
| 131 | G | 27.6 | Very low | 32 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 153.7 | 128.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 132 | S | 34 | Very low | 32 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -155.8 | 159.3 | 165.5 | -167.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 133 | P | 47.3 | Very low | 31.9 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -136.6 | -165.9 | 7.1 | 38.7 | -17.3 | 0 | 0 | 0 | 115.2 | ||||
| 134 | R | 24.8 | Very low | 31.8 | Very low | 225 Ų | 225 | 136.7 Ų | 136.7 | 85% | 0.849 | 78% | 0.781 | S | S | * | * | trans | 78.1 | 107.7 | 138.6 | -160.4 | -177.6 | -160.5 | -134.4 | 8.4 | 122.4 | ||||
| 135 | R | 29.3 | Very low | 31.8 | Very low | 212 Ų | 212 | 135.2 Ų | 135.2 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | 59.8 | 146.5 | 142.1 | -80.1 | -166.9 | 170.2 | -130.1 | 0.5 | 123.1 | ||||
| 136 | T | 26.8 | Very low | 31.8 | Very low | 105 Ų | 105 | 138 Ų | 138 | 64% | 0.644 | 79% | 0.787 | S | S | * | * | trans | 65.2 | 143.6 | 150.2 | 45.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 137 | D | 26.6 | Very low | 32 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | cis | -161.7 | -177.9 | 0.2 | -111.1 | -27.8 | 0 | 0 | 0 | 111.6 | ||||
| 138 | L | 28.9 | Very low | 31.9 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 113.4 | 150.4 | 151.7 | -59.2 | -179.6 | 0 | 0 | 0 | 120.7 | ||||
| 139 | F | 29.6 | Very low | 32.1 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -100.6 | -172.7 | -170.2 | -66.9 | -101.6 | 0 | 0 | 0 | 112.8 | ||||
| 140 | P | 46.9 | Very low | 31 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | -139.6 | 149.3 | 99.8 | 38.3 | -27.2 | 0 | 0 | 0 | 116.6 | |||||
| 141 | N | 28.3 | Very low | 31.6 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | 40.1 | 137 | 145.3 | -52.1 | -16.2 | 0 | 0 | 0 | 121.8 | ||||
| 142 | G | 29.3 | Very low | 31.5 | Very low | 66 Ų | 66 | 142 Ų | 142 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 163.1 | 178.9 | -4.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 143 | E | 31 | Very low | 31.2 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 72.5 | 141 | 165.5 | -54.6 | -150.9 | 84.7 | 0 | 0 | 118.5 | ||||
| 144 | R | 30.3 | Very low | 30.4 | Very low | 222 Ų | 222 | 144.2 Ų | 144.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | cis | -166.8 | 149 | -10.4 | 171.7 | -175.7 | -70.2 | -120.7 | 8.6 | 110.3 | ||||
| 145 | G | 28.2 | Very low | 30.5 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | 119.5 | 117.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 146 | D | 30.1 | Very low | 30.6 | Very low | 178 Ų | 178 | 134 Ų | 134 | 95% | 0.952 | 77% | 0.771 | S | S | * | * | cis | 57.7 | 130.9 | 46.4 | -79.7 | -4.6 | 0 | 0 | 0 | 114.8 | ||||
| 147 | G | 31.3 | Very low | 30.9 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | -176.7 | 167.4 | -1.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 148 | V | 29.9 | Very low | 31.3 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -32.4 | 135.3 | 179.1 | -179.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 149 | L | 31.4 | Very low | 31.3 | Very low | 167 Ų | 167 | 128.8 Ų | 128.8 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | -179 | 162.7 | 126.7 | -97.5 | 171.5 | 0 | 0 | 0 | 114.6 | |||||
| 150 | Q | 28.1 | Very low | 31.5 | Very low | 166 Ų | 166 | 127.9 Ų | 127.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -119.7 | 177.3 | 174 | -83.6 | -89 | 11 | 0 | 0 | 108.1 | ||||
| 151 | P | 44.5 | Very low | 31.1 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | cis | -131.6 | -148.8 | -16.5 | 27 | -2 | 0 | 0 | 0 | 111.9 | ||||
| 152 | V | 24.8 | Very low | 31.4 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | 105.8 | 107.1 | 152 | 179.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 153 | L | 28.3 | Very low | 31.7 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | trans | 43.1 | 143.3 | 136.4 | -54 | 179.4 | 0 | 0 | 0 | 120.7 | ||||
| 154 | S | 29 | Very low | 32 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | cis | -153.6 | 171.8 | 0.6 | 49.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 155 | S | 27.8 | Very low | 32.7 | Very low | 95 Ų | 95 | 122.9 Ų | 122.9 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | -177.7 | 136.9 | 50.4 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 156 | V | 31.4 | Very low | 33.6 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 48.9 | 133.1 | 139.8 | 175.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 157 | D | 33.7 | Very low | 34.2 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | cis | 176.9 | 174.3 | -25.2 | -118.6 | -60.7 | 0 | 0 | 0 | 106.1 | ||||
| 158 | A | 34.8 | Very low | 35.2 | Very low | 89 Ų | 89 | 121.9 Ų | 121.9 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | cis | -151.2 | 177.4 | -5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 159 | G | 29.5 | Very low | 37.1 | Very low | 63 Ų | 63 | 118.9 Ų | 118.9 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | cis | -161.9 | 152.2 | -2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 160 | L | 33.7 | Very low | 38.4 | Very low | 170 Ų | 170 | 113.2 Ų | 113.2 | 89% | 0.89 | 70% | 0.698 | S | S | * | * | 81 | 116.4 | 72.2 | -156.2 | 91 | 0 | 0 | 0 | 111.2 | |||||
| 161 | K | 37 | Very low | 40.4 | Very low | 149 Ų | 149 | 112.1 Ų | 112.1 | 65% | 0.648 | 69% | 0.693 | S | S | * | * | cis | -159.6 | 178.7 | -4.9 | -118.1 | -71 | 178.1 | -179.9 | 0 | 110.9 | ||||
| 162 | D | 34.8 | Very low | 41.3 | Very low | 127 Ų | 127 | 111.8 Ų | 111.8 | 68% | 0.679 | 68% | 0.682 | S | S | * | * | trans | -34.5 | 152.5 | 154 | -26.4 | -25.5 | 0 | 0 | 0 | 112.3 | ||||
| 163 | G | 36.2 | Very low | 43.5 | Very low | 77 Ų | 77 | 110.7 Ų | 110.7 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | cis | 119.2 | 119.5 | 15.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 164 | D | 36.9 | Very low | 45.3 | Very low | 141 Ų | 141 | 110.5 Ų | 110.5 | 75% | 0.754 | 66% | 0.66 | S | S | * | * | trans | -145.4 | 135.1 | 175.5 | -167.8 | 6 | 0 | 0 | 0 | 110 | V166 | D164-V166 WeakPolarHBondContact OD2-CG2 3.37Š| ||
| 165 | V | 46.5 | Very low | 47.1 | Very low | 123 Ų | 123 | 111.8 Ų | 111.8 | 75% | 0.745 | 65% | 0.654 | S | S | * | * | trans | -118.2 | 75.1 | -178.3 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | C167 | V165-C167 VanDerWaalsContact C-N 3.31Å; V165-C167 PolarHBondContact O-N 3.07Å | ||
| 166 | V | 45.7 | Very low | 49.2 | Very low | 109 Ų | 109 | 111.8 Ų | 111.8 | 66% | 0.661 | 65% | 0.646 | S | S | * | * | trans | -78.2 | 85.2 | 168.8 | -175.1 | 0 | 0 | 0 | 0 | 108.5 | D164 V168 | D164-V166 WeakPolarHBondContact OD2-CG2 3.37Å; V166-V168 VanDerWaalsContact C-N 3.34Å; V166-V168 PolarHBondContact O-N 2.94Å | ||
| 167 | C | 44 | Very low | 51 | Low | 101 Ų | 101 | 110.5 Ų | 110.5 | 68% | 0.682 | 63% | 0.634 | S | S | * | * | trans | -66.5 | 91 | 170.2 | -76.3 | 0 | 0 | 0 | 0 | 110.3 | V165 T169 | V165-C167 VanDerWaalsContact C-N 3.31Å; V165-C167 PolarHBondContact O-N 3.07Å; C167-T169 PolarHBondContact O-N 3.43Å | ||
| 168 | V | 51.2 | Low | 52.1 | Low | 83 Ų | 83 | 106.7 Ų | 106.7 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | trans | -52.3 | 122.5 | 167 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | V166 Q172 | V166-V168 VanDerWaalsContact C-N 3.34Å; V166-V168 PolarHBondContact O-N 2.94Å; V168-Q172 HydrophobicContact CG1-CB 3.55Å | ||
| 169 | T | 70.2 | Confident | 53 | Low | 75 Ų | 75 | 105.8 Ų | 105.8 | 46% | 0.46 | 61% | 0.607 | S | S | . | * | trans | -72.8 | 156.9 | -173.5 | 67.7 | 0 | 0 | 0 | 0 | 111 | C167 E171 Q172 L173 | C167-T169 PolarHBondContact O-N 3.43Å; T169-E171 PolarHBondContact O-N 3.46Å; T169-Q172 PolarHBondContact O-N 2.97Å; T169-Q172 VanDerWaalsContact O-N 3.07Å; T169-L173 PolarHBondContact O-N 3.24Å | ||
| 170 | G | 59.2 | Low | 54.2 | Low | 47 Ų | 47 | 107.2 Ų | 107.2 | 49% | 0.485 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.4 | -8.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R174 | G170-R174 WeakPolarHBondContact O-CG 3.22Å; G170-R174 PolarHBondContact O-NE 2.76Å; G170-R174 PolarHBondContact O-NH2 3.23Å |
| 171 | E | 69.2 | Low | 55.2 | Low | 143 Ų | 143 | 104.3 Ų | 104.3 | 67% | 0.668 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -47.8 | 172.2 | -71.7 | 169.6 | -171.6 | 0 | 0 | 111 | T169 L173 R174 E175 | T169-E171 PolarHBondContact O-N 3.46Å; E171-L173 VanDerWaalsContact C-N 3.26Å; E171-L173 PolarHBondContact O-N 2.91Å; E171-R174 VanDerWaalsContact CG-NH2 3.26Å; E171-R174 WeakPolarHBondContact O-CA 3.48Å; E171-R174 WeakPolarHBondContact O-CB 3.44Å; E171-R174 PolarHBondContact O-N 2.81Å; E171-E175 PolarHBondContact O-N 3.48Å |
| 172 | Q | 64.3 | Low | 55.7 | Low | 97 Ų | 97 | 102.8 Ų | 102.8 | 45% | 0.453 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -58.5 | -36.7 | 172.6 | -67.4 | 173.5 | -43 | 0 | 0 | 112.3 | V168 T169 R174 E175 L176 | V168-Q172 HydrophobicContact CG1-CB 3.55Å; T169-Q172 PolarHBondContact O-N 2.97Å; T169-Q172 VanDerWaalsContact O-N 3.07Å; Q172-R174 VanDerWaalsContact C-N 3.34Å; Q172-E175 PolarHBondContact O-N 3.36Å; Q172-L176 PolarHBondContact O-N 3.25Å |
| 173 | L | 70.6 | Confident | 56 | Low | 94 Ų | 94 | 101.3 Ų | 101.3 | 49% | 0.492 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67 | -34.4 | 174.3 | -174 | 62.7 | 0 | 0 | 0 | 112.4 | T169 E171 L177 | T169-L173 PolarHBondContact O-N 3.24Å; E171-L173 VanDerWaalsContact C-N 3.26Å; E171-L173 PolarHBondContact O-N 2.91Å; L173-L177 HydrophobicContact CG-CD1 4.25Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.9Å |
| 174 | R | 66.8 | Low | 56.2 | Low | 159 Ų | 159 | 104 Ų | 104 | 60% | 0.6 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.4 | -32.5 | 174.4 | -79.5 | 177.8 | -73.5 | -177.5 | 2.9 | 112.1 | G170 E171 Q172 L177 S178 | G170-R174 WeakPolarHBondContact O-CG 3.22Å; G170-R174 PolarHBondContact O-NE 2.76Å; G170-R174 PolarHBondContact O-NH2 3.23Å; E171-R174 VanDerWaalsContact CG-NH2 3.26Å; E171-R174 WeakPolarHBondContact O-CA 3.48Å; E171-R174 WeakPolarHBondContact O-CB 3.44Å; E171-R174 PolarHBondContact O-N 2.81Å; Q172-R174 VanDerWaalsContact C-N 3.34Å; R174-L177 PolarHBondContact O-N 2.91Å; R174-S178 WeakPolarHBondContact O-CB 3.37Å; R174-S178 PolarHBondContact O-N 2.94Å; R174-S178 PolarHBondContact O-OG 3.21Å; R174-S178 VanDerWaalsContact O-OG 3.05Å |
| 175 | E | 65.3 | Low | 56.6 | Low | 137 Ų | 137 | 100.3 Ų | 100.3 | 64% | 0.64 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.2 | -37.1 | 172.8 | -165.2 | 166.9 | -150.2 | 0 | 0 | 112.2 | E171 Q172 S178 S179 | E171-E175 PolarHBondContact O-N 3.48Å; Q172-E175 PolarHBondContact O-N 3.36Å; E175-S178 WeakPolarHBondContact CA-OG 3.28Å; E175-S178 PolarHBondContact O-OG 2.95Å; E175-S178 VanDerWaalsContact O-OG 3.13Å; E175-S179 WeakPolarHBondContact O-CB 3.35Å; E175-S179 PolarHBondContact O-N 3.01Å; E175-S179 PolarHBondContact O-OG 2.83Å |
| 176 | L | 71.9 | Confident | 55.7 | Low | 94 Ų | 94 | 100 Ų | 100 | 49% | 0.492 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.7 | -45.4 | 169.3 | -111.1 | 162.3 | 0 | 0 | 0 | 112.1 | Q172 S179 I180 | Q172-L176 PolarHBondContact O-N 3.25Å; L176-S179 WeakPolarHBondContact CA-OG 3.42Å; L176-S179 PolarHBondContact O-OG 3.28Å; L176-I180 HydrophobicContact CD2-CD1 4.1Å; L176-I180 WeakPolarHBondContact O-CD1 3.39Å; L176-I180 VanDerWaalsContact O-CG1 3.22Å; L176-I180 WeakPolarHBondContact O-CG1 3.45Å; L176-I180 PolarHBondContact O-N 3.26Å; L176-I180 VanDerWaalsContact O-N 3.09Å |
| 177 | L | 69.1 | Low | 54.9 | Low | 100 Ų | 100 | 98.9 Ų | 98.9 | 52% | 0.524 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -72.4 | -31.1 | -179.2 | -69.4 | 169.1 | 0 | 0 | 0 | 113.2 | L173 R174 T181 | L173-L177 HydrophobicContact CG-CD1 4.25Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.9Å; R174-L177 PolarHBondContact O-N 2.91Å; L177-T181 WeakPolarHBondContact O-CG2 3.24Å; L177-T181 PolarHBondContact O-N 3.47Å; L177-T181 VanDerWaalsContact O-N 3.16Å; L177-T181 PolarHBondContact O-OG1 3.39Å |
| 178 | S | 58.5 | Low | 54.3 | Low | 63 Ų | 63 | 103.4 Ų | 103.4 | 44% | 0.441 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.4 | -39.6 | 173.6 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | R174 E175 T181 V182 | R174-S178 WeakPolarHBondContact O-CB 3.37Å; R174-S178 PolarHBondContact O-N 2.94Å; R174-S178 PolarHBondContact O-OG 3.21Å; R174-S178 VanDerWaalsContact O-OG 3.05Å; E175-S178 WeakPolarHBondContact CA-OG 3.28Å; E175-S178 PolarHBondContact O-OG 2.95Å; E175-S178 VanDerWaalsContact O-OG 3.13Å; S178-T181 WeakPolarHBondContact CA-OG1 3.34Å; S178-T181 PolarHBondContact O-N 2.96Å; S178-T181 PolarHBondContact O-OG1 3.47Å; S178-T181 VanDerWaalsContact O-OG1 3.14Å; S178-V182 WeakPolarHBondContact O-CG2 3.4Å; S178-V182 PolarHBondContact O-N 2.87Å |
| 179 | S | 53.8 | Low | 53.2 | Low | 69 Ų | 69 | 111.2 Ų | 111.2 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.2 | -37.6 | 174.4 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | E175 L176 S183 | E175-S179 WeakPolarHBondContact O-CB 3.35Å; E175-S179 PolarHBondContact O-N 3.01Å; E175-S179 PolarHBondContact O-OG 2.83Å; L176-S179 WeakPolarHBondContact CA-OG 3.42Å; L176-S179 PolarHBondContact O-OG 3.28Å; S179-S183 PolarHBondContact O-N 3.25Å |
| 180 | I | 52.8 | Low | 51.1 | Low | 94 Ų | 94 | 110.7 Ų | 110.7 | 48% | 0.482 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67 | -42.2 | 174.4 | -66.6 | 163.6 | 0 | 0 | 0 | 111.9 | L176 V182 S183 | L176-I180 HydrophobicContact CD2-CD1 4.1Å; L176-I180 WeakPolarHBondContact O-CD1 3.39Å; L176-I180 VanDerWaalsContact O-CG1 3.22Å; L176-I180 WeakPolarHBondContact O-CG1 3.45Å; L176-I180 PolarHBondContact O-N 3.26Å; L176-I180 VanDerWaalsContact O-N 3.09Å; I180-V182 PolarHBondContact O-N 2.68Å; I180-S183 VanDerWaalsContact O-CB 3.31Å; I180-S183 WeakPolarHBondContact O-CB 3.45Å; I180-S183 PolarHBondContact O-N 3.44Å; I180-S183 VanDerWaalsContact O-N 3.08Å |
| 181 | T | 55.3 | Low | 50.6 | Low | 108 Ų | 108 | 114 Ų | 114 | 66% | 0.663 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.5 | -27.8 | -177.6 | 43.6 | 0 | 0 | 0 | 0 | 113.7 | L177 S178 S183 | L177-T181 WeakPolarHBondContact O-CG2 3.24Å; L177-T181 PolarHBondContact O-N 3.47Å; L177-T181 VanDerWaalsContact O-N 3.16Å; L177-T181 PolarHBondContact O-OG1 3.39Å; S178-T181 WeakPolarHBondContact CA-OG1 3.34Å; S178-T181 PolarHBondContact O-N 2.96Å; S178-T181 PolarHBondContact O-OG1 3.47Å; S178-T181 VanDerWaalsContact O-OG1 3.14Å; T181-S183 VanDerWaalsContact C-N 3.29Å |
| 182 | V | 48.7 | Very low | 48.5 | Very low | 118 Ų | 118 | 114.9 Ų | 114.9 | 72% | 0.715 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.1 | -24 | 170 | 174 | 0 | 0 | 0 | 0 | 112.1 | S178 I180 | S178-V182 WeakPolarHBondContact O-CG2 3.4Å; S178-V182 PolarHBondContact O-N 2.87Å; I180-V182 PolarHBondContact O-N 2.68Å |
| 183 | S | 40.3 | Very low | 46.8 | Very low | 95 Ų | 95 | 117.2 Ų | 117.2 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.4 | -21.3 | -173.5 | -161.9 | 0 | 0 | 0 | 0 | 114.9 | S179 I180 T181 G185 | S179-S183 PolarHBondContact O-N 3.25Å; I180-S183 VanDerWaalsContact O-CB 3.31Å; I180-S183 WeakPolarHBondContact O-CB 3.45Å; I180-S183 PolarHBondContact O-N 3.44Å; I180-S183 VanDerWaalsContact O-N 3.08Å; T181-S183 VanDerWaalsContact C-N 3.29Å; S183-G185 VanDerWaalsContact C-N 3.26Å; S183-G185 PolarHBondContact O-N 3.26Å |
| 184 | T | 40.5 | Very low | 45 | Very low | 133 Ų | 133 | 120.2 Ų | 120.2 | 82% | 0.816 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 25.7 | -178.3 | -36.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 185 | G | 44.3 | Very low | 43.2 | Very low | 64 Ų | 64 | 117.1 Ų | 117.1 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -127.4 | 23.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S183 | S183-G185 VanDerWaalsContact C-N 3.26Å; S183-G185 PolarHBondContact O-N 3.26Å |
| 186 | C | 28.9 | Very low | 41.7 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | trans | -152 | 133.2 | -179.5 | -145.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 187 | A | 28.7 | Very low | 39.7 | Very low | 85 Ų | 85 | 119.4 Ų | 119.4 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | trans | 56 | 158.6 | 146 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 188 | Q | 30.4 | Very low | 37.7 | Very low | 195 Ų | 195 | 118.4 Ų | 118.4 | 91% | 0.911 | 72% | 0.716 | S | S | * | * | cis | -152.3 | 179 | -29.4 | -113.1 | -164.6 | 69.6 | 0 | 0 | 107.7 | ||||
| 189 | R | 28.8 | Very low | 36.3 | Very low | 247 Ų | 247 | 119 Ų | 119 | 93% | 0.932 | 73% | 0.733 | S | S | * | * | trans | -121.7 | 135.6 | -177.7 | -170.1 | -168.1 | -151.3 | -145.6 | 7.4 | 112.2 | ||||
| 190 | G | 26.8 | Very low | 35.2 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | trans | 93 | -178.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 191 | P | 47.6 | Very low | 34.2 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | cis | -91.4 | -176.5 | -3.1 | 39.4 | -35.1 | 0 | 0 | 0 | 111.7 | ||||
| 192 | E | 25.8 | Very low | 32.8 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | cis | -143.9 | -160.8 | 9.8 | -147.3 | 26.7 | -73.1 | 0 | 0 | 107.2 | ||||
| 193 | E | 28.6 | Very low | 31.9 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -147.1 | 175.5 | 5.4 | -171.6 | 154.2 | -165.7 | 0 | 0 | 112.9 | ||||
| 194 | Q | 33.1 | Very low | 31.4 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -38 | 154.4 | 171.5 | -54.3 | 173.8 | 80 | 0 | 0 | 115.6 | ||||
| 195 | A | 28.6 | Very low | 30.8 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | cis | -156.5 | 160.4 | 31.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 196 | A | 32.4 | Very low | 29.9 | Very low | 81 Ų | 81 | 130.3 Ų | 130.3 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | 69.3 | 111.3 | 146 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 197 | Q | 31.4 | Very low | 29.9 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 93% | 0.93 | 76% | 0.755 | S | S | * | * | trans | 66.6 | 136 | 136.2 | -55.4 | 173.2 | 21.1 | 0 | 0 | 120.1 | ||||
| 198 | G | 25.6 | Very low | 29.7 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | cis | 164.6 | 129.6 | -11.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 199 | G | 30.1 | Very low | 29.6 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 73.4 | 163.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 200 | Q | 30.6 | Very low | 29.6 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | cis | -156.2 | 141.1 | -20.2 | -104.6 | -162.7 | -41.5 | 0 | 0 | 109.3 | ||||
| 201 | I | 31.4 | Very low | 29.6 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 60% | 0.6 | 75% | 0.748 | S | S | * | * | trans | 31 | 144.4 | 138.1 | -22.5 | 171.2 | 0 | 0 | 0 | 118.7 | ||||
| 202 | H | 26.1 | Very low | 28.6 | Very low | 149 Ų | 149 | 121 Ų | 121 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | -171.7 | 133.4 | 72.5 | -73.9 | -87.3 | 0 | 0 | 0 | 113.9 | |||||
| 203 | T | 29.2 | Very low | 28.8 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 31.9 | 142.6 | 137.8 | 65 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 204 | N | 30.4 | Very low | 28.9 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | cis | -150.5 | -148.3 | 16.5 | -144.5 | 6.4 | 0 | 0 | 0 | 110.6 | ||||
| 205 | S | 27.5 | Very low | 29 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | cis | -161.1 | 178.3 | 11.9 | -148.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 206 | V | 26.8 | Very low | 28.9 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | -83.4 | 169.1 | 170.1 | -87.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 207 | S | 27.4 | Very low | 28.8 | Very low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | cis | -174.1 | -172.2 | -5.6 | 49 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 208 | S | 24.8 | Very low | 29 | Very low | 108 Ų | 108 | 127.4 Ų | 127.4 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | 92.4 | 147.6 | 153.9 | -159 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 209 | V | 27.7 | Very low | 29.2 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | cis | 177.6 | 159.5 | -45.5 | 138.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 210 | N | 29.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 134.3 Ų | 134.3 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | 90.9 | 140.2 | 178 | -54.1 | -48.8 | 0 | 0 | 0 | 116.6 | ||||
| 211 | G | 27.1 | Very low | 29.8 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | cis | 161 | 144.2 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 212 | G | 26.8 | Very low | 29.7 | Very low | 68 Ų | 68 | 137.3 Ų | 137.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | 88.7 | 131.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 213 | E | 30.8 | Very low | 29.8 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | cis | 65.9 | 136.3 | 33.4 | -51.3 | -170.8 | 116.6 | 0 | 0 | 112.6 | ||||
| 214 | E | 29.6 | Very low | 30 | Very low | 136 Ų | 136 | 138 Ų | 138 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -153.5 | 169.3 | 26 | -144.8 | -179.1 | -175.6 | 0 | 0 | 114.4 | ||||
| 215 | R | 34.7 | Very low | 29.9 | Very low | 180 Ų | 180 | 139 Ų | 139 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | 25 | 122.4 | 148.8 | -82.2 | 177.4 | -116.3 | -88.3 | -6.3 | 120.9 | ||||
| 216 | Q | 26.6 | Very low | 30.1 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | 85.4 | 119.5 | 70.7 | 179.9 | -169.4 | -3.1 | 0 | 0 | 114.5 | |||||
| 217 | I | 31.8 | Very low | 30.4 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -158.5 | 143.5 | 144 | -101.6 | 151.8 | 0 | 0 | 0 | 108.3 | ||||
| 218 | K | 34.7 | Very low | 30.4 | Very low | 148 Ų | 148 | 150.1 Ų | 150.1 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -117.1 | 140.8 | 169.7 | -57.4 | 164.7 | 81.1 | -90.4 | 0 | 107.9 | D220 | K218-D220 IonicContact NZ-OD1 3.2Å; K218-D220 PolarHBondContact NZ-OD1 3.37Å; K218-D220 IonicContact NZ-OD2 3.85Å; K218-D220 PolarHBondContact NZ-OD2 3.22Å | ||
| 219 | E | 30.4 | Very low | 30.7 | Very low | 184 Ų | 184 | 153.7 Ų | 153.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -145.6 | 126.7 | 134.3 | -57.9 | -167.5 | 145 | 0 | 0 | 103.1 | ||||
| 220 | D | 34.1 | Very low | 30.9 | Very low | 116 Ų | 116 | 151.9 Ų | 151.9 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | cis | 61.7 | 130 | 45.3 | -51.1 | -50.9 | 0 | 0 | 0 | 110.1 | K218 | K218-D220 IonicContact NZ-OD1 3.2Å; K218-D220 PolarHBondContact NZ-OD1 3.37Å; K218-D220 IonicContact NZ-OD2 3.85Å; K218-D220 PolarHBondContact NZ-OD2 3.22Å | ||
| 221 | E | 38.2 | Very low | 31.3 | Very low | 161 Ų | 161 | 152.1 Ų | 152.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | -157.9 | 167.2 | 20.3 | -158 | -169.3 | -124.6 | 0 | 0 | 111.6 | ||||
| 222 | K | 30.4 | Very low | 31.7 | Very low | 184 Ų | 184 | 156.8 Ų | 156.8 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | 65 | 136.3 | 170.5 | -60.7 | 176.6 | -179.2 | 168.6 | 0 | 118.4 | ||||
| 223 | G | 28.1 | Very low | 32.2 | Very low | 74 Ų | 74 | 159.9 Ų | 159.9 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | cis | 114.3 | 110 | -10.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 224 | E | 33 | Very low | 32.4 | Very low | 207 Ų | 207 | 160.6 Ų | 160.6 | 97% | 0.967 | 79% | 0.788 | S | S | * | * | trans | -155.7 | 170.7 | 146.8 | -136.8 | 171.5 | -133.1 | 0 | 0 | 110.3 | ||||
| 225 | E | 28.3 | Very low | 32.5 | Very low | 171 Ų | 171 | 157.7 Ų | 157.7 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -125.1 | 131.9 | -148.6 | -178.1 | -163.9 | 147.6 | 0 | 0 | 113.7 | ||||
| 226 | M | 31.9 | Very low | 32.5 | Very low | 183 Ų | 183 | 160 Ų | 160 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | trans | -155.6 | 104.7 | 152.5 | -122.1 | -177.2 | -172.6 | 0 | 0 | 114.5 | ||||
| 227 | K | 32 | Very low | 33.2 | Very low | 171 Ų | 171 | 160.2 Ų | 160.2 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | trans | 27.3 | 116.9 | 149.2 | -59.3 | -171.8 | 175 | -166.8 | 0 | 119.5 | ||||
| 228 | Q | 28.1 | Very low | 33.7 | Very low | 206 Ų | 206 | 160.9 Ų | 160.9 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | trans | -99.6 | 142.2 | 139.3 | -71 | -176.8 | -71.8 | 0 | 0 | 109.3 | ||||
| 229 | E | 31.1 | Very low | 33.9 | Very low | 184 Ų | 184 | 165.7 Ų | 165.7 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -127.4 | 145.6 | 172 | -169.6 | 163.1 | -160.7 | 0 | 0 | 106.8 | ||||
| 230 | G | 31.6 | Very low | 34.1 | Very low | 74 Ų | 74 | 161.3 Ų | 161.3 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -79.6 | 159.4 | -157.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 231 | D | 37.7 | Very low | 34.8 | Very low | 165 Ų | 165 | 161.7 Ų | 161.7 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -72.5 | 142.5 | 161.9 | -63.5 | -60.7 | 0 | 0 | 0 | 110.5 | ||||
| 232 | D | 35.7 | Very low | 34.7 | Very low | 174 Ų | 174 | 162.9 Ų | 162.9 | 93% | 0.93 | 83% | 0.826 | S | S | * | * | trans | -161.3 | 166.3 | 130.6 | -120.2 | -28.7 | 0 | 0 | 0 | 112 | ||||
| 233 | E | 38.1 | Very low | 35.3 | Very low | 132 Ų | 132 | 158.2 Ų | 158.2 | 62% | 0.617 | 82% | 0.817 | S | S | * | * | trans | -114.5 | 163.4 | -150.5 | -157.7 | -179.9 | -171.3 | 0 | 0 | 116 | ||||
| 234 | Y | 33.5 | Very low | 36 | Very low | 200 Ų | 200 | 166.8 Ų | 166.8 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | 69.5 | 117.3 | 171.1 | -46.8 | -81 | 0 | 0 | 0 | 117.9 | ||||
| 235 | G | 33.5 | Very low | 36.1 | Very low | 75 Ų | 75 | 165.2 Ų | 165.2 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | cis | 124.3 | 149.1 | -8.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 236 | R | 34.1 | Very low | 37 | Very low | 227 Ų | 227 | 166.9 Ų | 166.9 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -173.6 | 135.6 | 154 | -173.9 | 160.2 | -70.3 | -105.3 | -0.7 | 112.3 | ||||
| 237 | L | 42 | Very low | 37.4 | Very low | 160 Ų | 160 | 167 Ų | 167 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 53.9 | 104.4 | 165 | -70.7 | 165.6 | 0 | 0 | 0 | 118.1 | ||
| 238 | H | 41.8 | Very low | 38.3 | Very low | 182 Ų | 182 | 167.2 Ų | 167.2 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | 157.5 | 73.2 | 109.8 | -165.8 | -87.3 | 0 | 0 | 0 | 113.1 | |||||
| 239 | R | 38.2 | Very low | 39.2 | Very low | 250 Ų | 250 | 166.2 Ų | 166.2 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | trans | -151.3 | 139.9 | 169.5 | -133 | 175.8 | -174.1 | -168.4 | 1.9 | 116.7 | ||||
| 240 | S | 35.5 | Very low | 40.3 | Very low | 91 Ų | 91 | 162 Ų | 162 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | trans | -29 | 130.2 | 177.6 | -171.6 | 0 | 0 | 0 | 0 | 119.1 | F242 | S240-F242 VanDerWaalsContact C-N 3.26Å; S240-F242 PolarHBondContact O-N 2.82Å | ||
| 241 | S | 47.9 | Very low | 41.2 | Very low | 125 Ų | 125 | 163.5 Ų | 163.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 36.4 | -178.4 | -43.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 242 | F | 37.1 | Very low | 42.8 | Very low | 186 Ų | 186 | 158.2 Ų | 158.2 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 9.9 | -169.1 | -97.6 | -78.7 | 0 | 0 | 0 | 116.7 | S240 | S240-F242 VanDerWaalsContact C-N 3.26Å; S240-F242 PolarHBondContact O-N 2.82Å |
| 243 | S | 41.9 | Very low | 45.1 | Very low | 86 Ų | 86 | 157.3 Ų | 157.3 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | trans | -87 | -17.1 | -175.6 | 56.1 | 0 | 0 | 0 | 0 | 116.4 | F245 K246 | S243-F245 PolarHBondContact O-N 3.41Å; S243-K246 PolarHBondContact O-N 2.81Å | ||
| 244 | W | 43.2 | Very low | 47.2 | Very low | 253 Ų | 253 | 153.9 Ų | 153.9 | 96% | 0.958 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 10.6 | -162.6 | -94.2 | 64.4 | 0 | 0 | 0 | 118 | ||
| 245 | F | 36 | Very low | 49.7 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 77% | 0.768 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | -7.9 | 177.3 | -154.8 | -98.9 | 0 | 0 | 0 | 114.8 | S243 | S243-F245 PolarHBondContact O-N 3.41Š|
| 246 | K | 46.4 | Very low | 52.1 | Low | 205 Ų | 205 | 147.5 Ų | 147.5 | 89% | 0.891 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -87.4 | -17.3 | -173.2 | -140.6 | 175.8 | -175.3 | -177.7 | 0 | 114.3 | S243 | S243-K246 PolarHBondContact O-N 2.81Š|
| 247 | E | 39.4 | Very low | 54.7 | Low | 187 Ų | 187 | 139.2 Ų | 139.2 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | trans | -106.2 | 60 | -173.2 | -162 | 170.8 | -173.1 | 0 | 0 | 113.1 | R249 | E247-R249 PolarHBondContact O-N 3.04Š| ||
| 248 | R | 52.3 | Low | 57 | Low | 175 Ų | 175 | 134.4 Ų | 134.4 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -89 | 103.4 | 163.6 | -164.8 | 179.3 | -56.8 | -148 | 2.4 | 107.8 | ||
| 249 | R | 45.3 | Very low | 59.3 | Low | 184 Ų | 184 | 131.7 Ų | 131.7 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | trans | -5 | 121.7 | 179.4 | -73.6 | -78.4 | 175.2 | 137 | -5.4 | 114.8 | E247 D251 S252 R253 | E247-R249 PolarHBondContact O-N 3.04Å; R249-D251 PolarHBondContact O-N 3.21Å; R249-D251 VanDerWaalsContact O-N 3.08Å; R249-S252 WeakPolarHBondContact O-CB 3.41Å; R249-S252 PolarHBondContact O-N 3.05Å; R249-R253 PolarHBondContact O-N 3.39Å | ||
| 250 | P | 55.4 | Low | 61.8 | Low | 96 Ų | 96 | 124.8 Ų | 124.8 | 62% | 0.623 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -54.8 | -35.9 | -175.6 | 23.3 | -33.6 | 0 | 0 | 0 | 112.3 | S252 R253 A254 | P250-S252 VanDerWaalsContact C-N 3.29Å; P250-S252 PolarHBondContact O-N 3.23Å; P250-R253 CarbonylContact O-C 3.5Å; P250-R253 WeakPolarHBondContact O-CA 3.49Å; P250-R253 WeakPolarHBondContact O-CB 3.34Å; P250-R253 PolarHBondContact O-N 2.93Å; P250-A254 WeakPolarHBondContact O-CB 3.39Å; P250-A254 PolarHBondContact O-N 3.39Å |
| 251 | D | 51.3 | Low | 64.4 | Low | 106 Ų | 106 | 122.5 Ų | 122.5 | 57% | 0.567 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -57.5 | -38.4 | 176.1 | -31.3 | -61.8 | 0 | 0 | 0 | 112.5 | R249 R253 A255 | R249-D251 PolarHBondContact O-N 3.21Å; R249-D251 VanDerWaalsContact O-N 3.08Å; D251-R253 VanDerWaalsContact C-N 3.32Å; D251-R253 PolarHBondContact O-N 2.83Å; D251-A255 WeakPolarHBondContact O-CB 3.32Å; D251-A255 PolarHBondContact O-N 2.74Å |
| 252 | S | 70.4 | Confident | 66.2 | Low | 53 Ų | 53 | 122 Ų | 122 | 37% | 0.371 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.6 | -31.1 | 176.2 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | R249 P250 I256 | R249-S252 WeakPolarHBondContact O-CB 3.41Å; R249-S252 PolarHBondContact O-N 3.05Å; P250-S252 VanDerWaalsContact C-N 3.29Å; P250-S252 PolarHBondContact O-N 3.23Å; S252-I256 WeakPolarHBondContact O-CD1 3.37Å; S252-I256 VanDerWaalsContact O-CG1 3.28Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 2.88Å |
| 253 | R | 83.7 | Confident | 68.4 | Low | 155 Ų | 155 | 121.8 Ų | 121.8 | 59% | 0.585 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -77.6 | -44.7 | 175.4 | -177.4 | 62.5 | -168.2 | -102.2 | -10.6 | 110.9 | R249 P250 D251 A255 I256 D257 | R249-R253 PolarHBondContact O-N 3.39Å; P250-R253 CarbonylContact O-C 3.5Å; P250-R253 WeakPolarHBondContact O-CA 3.49Å; P250-R253 WeakPolarHBondContact O-CB 3.34Å; P250-R253 PolarHBondContact O-N 2.93Å; D251-R253 VanDerWaalsContact C-N 3.32Å; D251-R253 PolarHBondContact O-N 2.83Å; R253-A255 VanDerWaalsContact C-N 3.34Å; R253-A255 PolarHBondContact O-N 3.02Å; R253-I256 PolarHBondContact O-N 3.2Å; R253-D257 IonicContact CZ-OD2 3.85Å; R253-D257 IonicContact NE-OD1 3.83Å; R253-D257 IonicContact NE-OD2 3.24Å; R253-D257 PolarHBondContact NE-OD2 2.99Å; R253-D257 IonicContact NH2-OD2 2.91Å; R253-D257 PolarHBondContact NH2-OD2 3.21Å; R253-D257 VanDerWaalsContact NH2-OD2 3.12Å; R253-D257 PolarHBondContact O-N 3.32Å |
| 254 | A | 82.4 | Confident | 70.8 | Confident | 61 Ų | 61 | 124 Ų | 124 | 50% | 0.504 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.5 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P250 I256 D257 A258 | P250-A254 WeakPolarHBondContact O-CB 3.39Å; P250-A254 PolarHBondContact O-N 3.39Å; A254-I256 VanDerWaalsContact C-N 3.35Å; A254-I256 PolarHBondContact O-N 2.97Å; A254-D257 PolarHBondContact O-N 3.44Å; A254-A258 WeakPolarHBondContact O-CB 3.26Å; A254-A258 PolarHBondContact O-N 3.42Å |
| 255 | A | 86.4 | Confident | 73.2 | Confident | 53 Ų | 53 | 120.7 Ų | 120.7 | 44% | 0.438 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.5 | -33.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | D251 R253 K259 | D251-A255 WeakPolarHBondContact O-CB 3.32Å; D251-A255 PolarHBondContact O-N 2.74Å; R253-A255 VanDerWaalsContact C-N 3.34Å; R253-A255 PolarHBondContact O-N 3.02Å; A255-K259 WeakPolarHBondContact O-CG 3.28Å; A255-K259 PolarHBondContact O-N 2.94Å |
| 256 | I | 84.2 | Confident | 75.8 | Confident | 87 Ų | 87 | 116.8 Ų | 116.8 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.7 | -46.5 | 173.6 | -72.4 | 167.5 | 0 | 0 | 0 | 110.5 | S252 R253 A254 K259 K260 | S252-I256 WeakPolarHBondContact O-CD1 3.37Å; S252-I256 VanDerWaalsContact O-CG1 3.28Å; S252-I256 WeakPolarHBondContact O-CG1 3.24Å; S252-I256 PolarHBondContact O-N 2.88Å; R253-I256 PolarHBondContact O-N 3.2Å; A254-I256 VanDerWaalsContact C-N 3.35Å; A254-I256 PolarHBondContact O-N 2.97Å; I256-K259 PolarHBondContact O-N 2.86Å; I256-K260 WeakPolarHBondContact O-CG 3.02Å; I256-K260 PolarHBondContact O-N 3.45Å |
| 257 | D | 87.1 | Confident | 77.8 | Confident | 53 Ų | 53 | 112.4 Ų | 112.4 | 28% | 0.283 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -75.6 | -27 | -176.4 | -68 | -15.3 | 0 | 0 | 0 | 111.9 | R253 A254 K260 A261 | R253-D257 IonicContact CZ-OD2 3.85Å; R253-D257 IonicContact NE-OD1 3.83Å; R253-D257 IonicContact NE-OD2 3.24Å; R253-D257 PolarHBondContact NE-OD2 2.99Å; R253-D257 IonicContact NH2-OD2 2.91Å; R253-D257 PolarHBondContact NH2-OD2 3.21Å; R253-D257 VanDerWaalsContact NH2-OD2 3.12Å; R253-D257 PolarHBondContact O-N 3.32Å; A254-D257 PolarHBondContact O-N 3.44Å; D257-K260 WeakPolarHBondContact O-CB 3.44Å; D257-K260 PolarHBondContact O-N 3.35Å; D257-K260 WeakPolarHBondContact OD1-CD 3.37Å; D257-K260 WeakPolarHBondContact OD1-CE 3.34Å; D257-K260 IonicContact OD1-NZ 3.29Å; D257-K260 PolarHBondContact OD1-NZ 3.22Å; D257-A261 WeakPolarHBondContact O-CB 3.32Å; D257-A261 PolarHBondContact O-N 2.86Å |
| 258 | A | 90.4 | Very high | 80.3 | Confident | 59 Ų | 59 | 107.3 Ų | 107.3 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A254 K260 A261 Q262 | A254-A258 WeakPolarHBondContact O-CB 3.26Å; A254-A258 PolarHBondContact O-N 3.42Å; A258-K260 VanDerWaalsContact C-N 3.35Å; A258-A261 PolarHBondContact O-N 3.41Å; A258-Q262 WeakPolarHBondContact O-CB 3.49Å; A258-Q262 PolarHBondContact O-N 3.45Å |
| 259 | K | 90.8 | Very high | 82.3 | Confident | 125 Ų | 125 | 104.4 Ų | 104.4 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -34.6 | 172.3 | -77.9 | -178.2 | 177.5 | -174.4 | 0 | 112.5 | A255 I256 Q262 W263 | A255-K259 WeakPolarHBondContact O-CG 3.28Å; A255-K259 PolarHBondContact O-N 2.94Å; I256-K259 PolarHBondContact O-N 2.86Å; K259-Q262 PolarHBondContact O-N 2.8Å; K259-W263 PolarHBondContact O-N 2.83Å |
| 260 | K | 90.8 | Very high | 84.4 | Confident | 106 Ų | 106 | 101 Ų | 101 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 168.8 | -66.9 | 173.5 | -168.3 | 161.7 | 0 | 111.8 | I256 D257 A258 Q262 W263 K264 | I256-K260 WeakPolarHBondContact O-CG 3.02Å; I256-K260 PolarHBondContact O-N 3.45Å; D257-K260 WeakPolarHBondContact O-CB 3.44Å; D257-K260 PolarHBondContact O-N 3.35Å; D257-K260 WeakPolarHBondContact OD1-CD 3.37Å; D257-K260 WeakPolarHBondContact OD1-CE 3.34Å; D257-K260 IonicContact OD1-NZ 3.29Å; D257-K260 PolarHBondContact OD1-NZ 3.22Å; A258-K260 VanDerWaalsContact C-N 3.35Å; K260-Q262 VanDerWaalsContact C-N 3.34Å; K260-W263 PolarHBondContact O-N 2.75Å; K260-K264 WeakPolarHBondContact O-CB 3.36Å; K260-K264 PolarHBondContact O-N 3.43Å |
| 261 | A | 89.7 | Confident | 86 | Confident | 42 Ų | 42 | 99.7 Ų | 99.7 | 35% | 0.347 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D257 A258 K264 R265 | D257-A261 WeakPolarHBondContact O-CB 3.32Å; D257-A261 PolarHBondContact O-N 2.86Å; A258-A261 PolarHBondContact O-N 3.41Å; A261-K264 PolarHBondContact O-N 2.88Å; A261-R265 WeakPolarHBondContact O-CG 3.37Å; A261-R265 PolarHBondContact O-N 3.49Å |
| 262 | Q | 86.4 | Confident | 87.9 | Confident | 116 Ų | 116 | 97.2 Ų | 97.2 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -51.8 | 171.7 | -174.6 | -177.7 | 5.5 | 0 | 0 | 111.2 | A258 K259 K260 K264 R265 E266 | A258-Q262 WeakPolarHBondContact O-CB 3.49Å; A258-Q262 PolarHBondContact O-N 3.45Å; K259-Q262 PolarHBondContact O-N 2.8Å; K260-Q262 VanDerWaalsContact C-N 3.34Å; Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 3.45Å; Q262-R265 PolarHBondContact O-N 3.34Å; Q262-E266 WeakPolarHBondContact O-CB 3.21Å; Q262-E266 PolarHBondContact O-N 3.42Å |
| 263 | W | 82.2 | Confident | 88.7 | Confident | 180 Ų | 180 | 99.1 Ų | 99.1 | 68% | 0.682 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.9 | -30.4 | 176.7 | -68.8 | -23.5 | 0 | 0 | 0 | 113.4 | K259 K260 L267 | K259-W263 PolarHBondContact O-N 2.83Å; K260-W263 PolarHBondContact O-N 2.75Å; W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 PolarHBondContact O-N 3.39Å |
| 264 | K | 93.6 | Very high | 89 | Confident | 134 Ų | 134 | 98 Ų | 98 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.2 | -49.3 | 172.2 | -164.2 | -161.9 | 172.1 | -166.1 | 0 | 110.4 | K260 A261 Q262 E266 L267 D268 | K260-K264 WeakPolarHBondContact O-CB 3.36Å; K260-K264 PolarHBondContact O-N 3.43Å; A261-K264 PolarHBondContact O-N 2.88Å; Q262-K264 VanDerWaalsContact C-N 3.27Å; Q262-K264 PolarHBondContact O-N 3.45Å; K264-E266 PolarHBondContact O-N 3.48Å; K264-L267 PolarHBondContact O-N 3.05Å; K264-L267 VanDerWaalsContact O-N 3.16Å; K264-D268 VanDerWaalsContact CE-OD2 3.23Å; K264-D268 WeakPolarHBondContact CE-OD2 3.37Å; K264-D268 IonicContact NZ-OD2 2.73Å; K264-D268 WeakPolarHBondContact O-CB 3.33Å; K264-D268 PolarHBondContact O-N 2.75Å |
| 265 | R | 92.1 | Very high | 89.1 | Confident | 183 Ų | 183 | 100.2 Ų | 100.2 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.9 | -46.3 | 175.8 | -72.4 | 174.7 | -171.3 | 171 | 2.3 | 111.9 | A261 Q262 L267 D268 E269 | A261-R265 WeakPolarHBondContact O-CG 3.37Å; A261-R265 PolarHBondContact O-N 3.49Å; Q262-R265 PolarHBondContact O-N 3.34Å; R265-L267 VanDerWaalsContact C-N 3.33Å; R265-L267 PolarHBondContact O-N 3.38Å; R265-D268 PolarHBondContact O-N 2.76Å; R265-E269 WeakPolarHBondContact O-CB 3.46Å; R265-E269 PolarHBondContact O-N 3.14Å |
| 266 | E | 92.4 | Very high | 88.9 | Confident | 93 Ų | 93 | 103.8 Ų | 103.8 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.6 | -43.9 | 174.4 | 176.5 | 77 | -135.2 | 0 | 0 | 111.9 | Q262 K264 E269 Q270 | Q262-E266 WeakPolarHBondContact O-CB 3.21Å; Q262-E266 PolarHBondContact O-N 3.42Å; K264-E266 PolarHBondContact O-N 3.48Å; E266-E269 PolarHBondContact O-N 3.17Å; E266-Q270 WeakPolarHBondContact O-CB 3.23Å; E266-Q270 WeakPolarHBondContact O-CG 3.48Å; E266-Q270 PolarHBondContact O-N 2.89Å; E266-Q270 PolarHBondContact OE1-NE2 3.43Å |
| 267 | L | 87.1 | Confident | 88.7 | Confident | 113 Ų | 113 | 105.5 Ų | 105.5 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71 | -43 | 178.8 | -160.3 | 79.8 | 0 | 0 | 0 | 112 | W263 K264 R265 E269 Q270 V271 | W263-L267 WeakPolarHBondContact O-CB 3.36Å; W263-L267 PolarHBondContact O-N 3.39Å; K264-L267 PolarHBondContact O-N 3.05Å; K264-L267 VanDerWaalsContact O-N 3.16Å; R265-L267 VanDerWaalsContact C-N 3.33Å; R265-L267 PolarHBondContact O-N 3.38Å; L267-E269 VanDerWaalsContact C-N 3.28Å; L267-E269 PolarHBondContact O-N 2.79Å; L267-Q270 PolarHBondContact O-N 3.38Å; L267-V271 WeakPolarHBondContact O-CB 3.11Å; L267-V271 VanDerWaalsContact O-CG2 3.29Å; L267-V271 WeakPolarHBondContact O-CG2 3.36Å; L267-V271 PolarHBondContact O-N 2.79Å |
| 268 | D | 92.3 | Very high | 88.1 | Confident | 79 Ų | 79 | 108.6 Ų | 108.6 | 42% | 0.422 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -35.7 | 175.7 | -67.1 | -19.5 | 0 | 0 | 0 | 110.3 | K264 R265 V271 A272 | K264-D268 VanDerWaalsContact CE-OD2 3.23Å; K264-D268 WeakPolarHBondContact CE-OD2 3.37Å; K264-D268 IonicContact NZ-OD2 2.73Å; K264-D268 WeakPolarHBondContact O-CB 3.33Å; K264-D268 PolarHBondContact O-N 2.75Å; R265-D268 PolarHBondContact O-N 2.76Å; D268-V271 PolarHBondContact O-N 2.98Å; D268-A272 VanDerWaalsContact O-CB 3.31Å; D268-A272 WeakPolarHBondContact O-CB 3.26Å; D268-A272 PolarHBondContact O-N 3.22Å |
| 269 | E | 93.2 | Very high | 87.2 | Confident | 115 Ų | 115 | 111.3 Ų | 111.3 | 54% | 0.537 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.6 | -43.6 | 175.7 | -177.6 | 169.8 | -177.6 | 0 | 0 | 111.9 | R265 E266 L267 V271 A272 L273 | R265-E269 WeakPolarHBondContact O-CB 3.46Å; R265-E269 PolarHBondContact O-N 3.14Å; E266-E269 PolarHBondContact O-N 3.17Å; L267-E269 VanDerWaalsContact C-N 3.28Å; L267-E269 PolarHBondContact O-N 2.79Å; E269-V271 VanDerWaalsContact C-N 3.26Å; E269-V271 PolarHBondContact O-N 3.18Å; E269-A272 CarbonylContact O-C 3.55Å; E269-A272 PolarHBondContact O-N 2.94Å; E269-A272 VanDerWaalsContact O-N 3.14Å; E269-L273 HydrophobicContact CG-CD1 4.17Å; E269-L273 HydrophobicContact CG-CG 4.45Å; E269-L273 WeakPolarHBondContact O-CB 3.3Å; E269-L273 VanDerWaalsContact O-CG 3.32Å; E269-L273 WeakPolarHBondContact O-CG 3.49Å; E269-L273 PolarHBondContact O-N 3.48Å |
| 270 | Q | 89.6 | Confident | 86.2 | Confident | 111 Ų | 111 | 107.9 Ų | 107.9 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 171.7 | -72.4 | -174.3 | 26.5 | 0 | 0 | 112.1 | E266 L267 K274 | E266-Q270 WeakPolarHBondContact O-CB 3.23Å; E266-Q270 WeakPolarHBondContact O-CG 3.48Å; E266-Q270 PolarHBondContact O-N 2.89Å; E266-Q270 PolarHBondContact OE1-NE2 3.43Å; L267-Q270 PolarHBondContact O-N 3.38Å; Q270-K274 VanDerWaalsContact O-CB 3.26Å; Q270-K274 WeakPolarHBondContact O-CB 3.38Å; Q270-K274 PolarHBondContact O-N 2.87Å |
| 271 | V | 90.1 | Very high | 84.8 | Confident | 70 Ų | 70 | 105.4 Ų | 105.4 | 42% | 0.424 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 170.4 | 165.3 | 0 | 0 | 0 | 0 | 111.3 | L267 D268 E269 K274 Q275 | L267-V271 WeakPolarHBondContact O-CB 3.11Å; L267-V271 VanDerWaalsContact O-CG2 3.29Å; L267-V271 WeakPolarHBondContact O-CG2 3.36Å; L267-V271 PolarHBondContact O-N 2.79Å; D268-V271 PolarHBondContact O-N 2.98Å; E269-V271 VanDerWaalsContact C-N 3.26Å; E269-V271 PolarHBondContact O-N 3.18Å; V271-K274 PolarHBondContact O-N 3.16Å; V271-Q275 VanDerWaalsContact CG1-NE2 3.3Å; V271-Q275 WeakPolarHBondContact O-CG 3.31Å; V271-Q275 PolarHBondContact O-N 3.49Å |
| 272 | A | 90.4 | Very high | 83.2 | Confident | 53 Ų | 53 | 108.4 Ų | 108.4 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D268 E269 K274 Q275 Q276 | D268-A272 VanDerWaalsContact O-CB 3.31Å; D268-A272 WeakPolarHBondContact O-CB 3.26Å; D268-A272 PolarHBondContact O-N 3.22Å; E269-A272 CarbonylContact O-C 3.55Å; E269-A272 PolarHBondContact O-N 2.94Å; E269-A272 VanDerWaalsContact O-N 3.14Å; A272-K274 VanDerWaalsContact C-N 3.31Å; A272-K274 PolarHBondContact O-N 3.22Å; A272-Q275 CarbonylContact O-C 3.59Å; A272-Q275 PolarHBondContact O-N 3.31Å; A272-Q276 WeakPolarHBondContact O-CB 3.45Å; A272-Q276 PolarHBondContact O-N 2.82Å |
| 273 | L | 88.4 | Confident | 81.6 | Confident | 93 Ų | 93 | 106.3 Ų | 106.3 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 173.5 | -72.6 | 169.9 | 0 | 0 | 0 | 111.4 | E269 Q276 L277 | E269-L273 HydrophobicContact CG-CD1 4.17Å; E269-L273 HydrophobicContact CG-CG 4.45Å; E269-L273 WeakPolarHBondContact O-CB 3.3Å; E269-L273 VanDerWaalsContact O-CG 3.32Å; E269-L273 WeakPolarHBondContact O-CG 3.49Å; E269-L273 PolarHBondContact O-N 3.48Å; L273-Q276 PolarHBondContact O-N 3.42Å; L273-L277 WeakPolarHBondContact O-CB 3.35Å; L273-L277 PolarHBondContact O-N 2.93Å |
| 274 | K | 88.6 | Confident | 80.2 | Confident | 133 Ų | 133 | 106.5 Ų | 106.5 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 173.3 | -176.5 | -179.5 | 175.7 | -174.7 | 0 | 112.1 | Q270 V271 A272 L277 Q278 | Q270-K274 VanDerWaalsContact O-CB 3.26Å; Q270-K274 WeakPolarHBondContact O-CB 3.38Å; Q270-K274 PolarHBondContact O-N 2.87Å; V271-K274 PolarHBondContact O-N 3.16Å; A272-K274 VanDerWaalsContact C-N 3.31Å; A272-K274 PolarHBondContact O-N 3.22Å; K274-L277 PolarHBondContact O-N 3.37Å; K274-Q278 WeakPolarHBondContact O-CG 3.11Å; K274-Q278 PolarHBondContact O-N 2.96Å |
| 275 | Q | 84.8 | Confident | 78.1 | Confident | 107 Ų | 107 | 106.5 Ų | 106.5 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 174.3 | -74.8 | -179.4 | 54.3 | 0 | 0 | 111.4 | V271 A272 L277 Q278 L279 | V271-Q275 VanDerWaalsContact CG1-NE2 3.3Å; V271-Q275 WeakPolarHBondContact O-CG 3.31Å; V271-Q275 PolarHBondContact O-N 3.49Å; A272-Q275 CarbonylContact O-C 3.59Å; A272-Q275 PolarHBondContact O-N 3.31Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; Q275-L277 PolarHBondContact O-N 2.92Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q275-L279 WeakPolarHBondContact O-CB 3.34Å; Q275-L279 VanDerWaalsContact O-CG 3.3Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 2.92Å |
| 276 | Q | 82.5 | Confident | 75.8 | Confident | 127 Ų | 127 | 105.2 Ų | 105.2 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -38.2 | 174.6 | -169.7 | -178.7 | 17.1 | 0 | 0 | 111.5 | A272 L273 S280 | A272-Q276 WeakPolarHBondContact O-CB 3.45Å; A272-Q276 PolarHBondContact O-N 2.82Å; L273-Q276 PolarHBondContact O-N 3.42Å; Q276-S280 VanDerWaalsContact O-CB 3.24Å; Q276-S280 WeakPolarHBondContact O-CB 3.43Å; Q276-S280 PolarHBondContact O-N 3.39Å; Q276-S280 PolarHBondContact O-OG 3.43Å |
| 277 | L | 79.1 | Confident | 73.4 | Confident | 124 Ų | 124 | 103.6 Ų | 103.6 | 65% | 0.649 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | 172.7 | -169 | 69.7 | 0 | 0 | 0 | 111.7 | L273 K274 Q275 S280 A281 | L273-L277 WeakPolarHBondContact O-CB 3.35Å; L273-L277 PolarHBondContact O-N 2.93Å; K274-L277 PolarHBondContact O-N 3.37Å; Q275-L277 VanDerWaalsContact C-N 3.34Å; Q275-L277 PolarHBondContact O-N 2.92Å; L277-S280 WeakPolarHBondContact CA-OG 3.4Å; L277-S280 PolarHBondContact O-OG 3.34Å; L277-A281 VanDerWaalsContact O-CB 3.23Å; L277-A281 WeakPolarHBondContact O-CB 3.23Å; L277-A281 PolarHBondContact O-N 2.97Å |
| 278 | Q | 76.1 | Confident | 71.2 | Confident | 118 Ų | 118 | 105.7 Ų | 105.7 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.5 | -43.1 | 174.9 | -73.4 | -179.1 | -55.2 | 0 | 0 | 112.2 | K274 Q275 A281 L282 | K274-Q278 WeakPolarHBondContact O-CG 3.11Å; K274-Q278 PolarHBondContact O-N 2.96Å; Q275-Q278 PolarHBondContact O-N 3.34Å; Q278-A281 PolarHBondContact O-N 3.01Å; Q278-L282 WeakPolarHBondContact O-CB 3.23Å; Q278-L282 PolarHBondContact O-N 3.26Å |
| 279 | L | 71.7 | Confident | 68.8 | Low | 115 Ų | 115 | 110.3 Ų | 110.3 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.9 | -35.5 | 178.2 | -70.1 | 171.6 | 0 | 0 | 0 | 112.3 | Q275 L282 S283 | Q275-L279 WeakPolarHBondContact O-CB 3.34Å; Q275-L279 VanDerWaalsContact O-CG 3.3Å; Q275-L279 WeakPolarHBondContact O-CG 3.33Å; Q275-L279 PolarHBondContact O-N 2.92Å; L279-L282 PolarHBondContact O-N 2.94Å; L279-S283 VanDerWaalsContact O-CB 3.28Å; L279-S283 WeakPolarHBondContact O-CB 3.48Å; L279-S283 PolarHBondContact O-N 2.85Å |
| 280 | S | 68.7 | Low | 66.3 | Low | 54 Ų | 54 | 115.4 Ų | 115.4 | 38% | 0.378 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.2 | -32.3 | 173.4 | 56.4 | 0 | 0 | 0 | 0 | 112.7 | Q276 L277 S283 R284 | Q276-S280 VanDerWaalsContact O-CB 3.24Å; Q276-S280 WeakPolarHBondContact O-CB 3.43Å; Q276-S280 PolarHBondContact O-N 3.39Å; Q276-S280 PolarHBondContact O-OG 3.43Å; L277-S280 WeakPolarHBondContact CA-OG 3.4Å; L277-S280 PolarHBondContact O-OG 3.34Å; S280-S283 PolarHBondContact O-N 2.87Å; S280-R284 WeakPolarHBondContact O-CB 3.49Å; S280-R284 WeakPolarHBondContact O-CG 3.34Å; S280-R284 PolarHBondContact O-N 3.13Å |
| 281 | A | 61.6 | Low | 64.2 | Low | 53 Ų | 53 | 114.5 Ų | 114.5 | 44% | 0.438 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.5 | -41.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L277 Q278 L285 | L277-A281 VanDerWaalsContact O-CB 3.23Å; L277-A281 WeakPolarHBondContact O-CB 3.23Å; L277-A281 PolarHBondContact O-N 2.97Å; Q278-A281 PolarHBondContact O-N 3.01Å; A281-L285 PolarHBondContact O-N 3.21Å |
| 282 | L | 55.5 | Low | 61.4 | Low | 105 Ų | 105 | 119.9 Ų | 119.9 | 55% | 0.55 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.7 | -41.5 | 173.2 | -120.1 | 164.9 | 0 | 0 | 0 | 112.2 | Q278 L279 L285 Q286 | Q278-L282 WeakPolarHBondContact O-CB 3.23Å; Q278-L282 PolarHBondContact O-N 3.26Å; L279-L282 PolarHBondContact O-N 2.94Å; L282-L285 PolarHBondContact O-N 3.38Å; L282-Q286 PolarHBondContact O-N 3.15Å |
| 283 | S | 53.2 | Low | 59.2 | Low | 73 Ų | 73 | 123 Ų | 123 | 51% | 0.51 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.8 | -36.7 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 112.6 | L279 S280 L285 Q286 G287 | L279-S283 VanDerWaalsContact O-CB 3.28Å; L279-S283 WeakPolarHBondContact O-CB 3.48Å; L279-S283 PolarHBondContact O-N 2.85Å; S280-S283 PolarHBondContact O-N 2.87Å; S283-L285 VanDerWaalsContact C-N 3.28Å; S283-L285 PolarHBondContact O-N 3.1Å; S283-Q286 CarbonylContact O-C 3.58Å; S283-Q286 PolarHBondContact O-N 3.3Å; S283-G287 PolarHBondContact O-N 3.38Å |
| 284 | R | 52.6 | Low | 56.6 | Low | 183 Ų | 183 | 125 Ų | 125 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.2 | -35.6 | 171.8 | -74.9 | -172 | 70.1 | 167 | 2.8 | 112 | S280 Q286 G287 | S280-R284 WeakPolarHBondContact O-CB 3.49Å; S280-R284 WeakPolarHBondContact O-CG 3.34Å; S280-R284 PolarHBondContact O-N 3.13Å; R284-Q286 PolarHBondContact O-N 3.2Å; R284-G287 PolarHBondContact O-N 2.87Å |
| 285 | L | 50.7 | Low | 53.8 | Low | 135 Ų | 135 | 124.2 Ų | 124.2 | 71% | 0.707 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.4 | -10.1 | 172.5 | -72 | 167.2 | 0 | 0 | 0 | 114.3 | A281 L282 S283 | A281-L285 PolarHBondContact O-N 3.21Å; L282-L285 PolarHBondContact O-N 3.38Å; S283-L285 VanDerWaalsContact C-N 3.28Å; S283-L285 PolarHBondContact O-N 3.1Å |
| 286 | Q | 43.6 | Very low | 51.4 | Low | 155 Ų | 155 | 123.7 Ų | 123.7 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -101.4 | -12 | 168.2 | -73.9 | -171.6 | -41.8 | 0 | 0 | 113.3 | L282 S283 R284 | L282-Q286 PolarHBondContact O-N 3.15Å; S283-Q286 CarbonylContact O-C 3.58Å; S283-Q286 PolarHBondContact O-N 3.3Å; R284-Q286 PolarHBondContact O-N 3.2Å |
| 287 | G | 41 | Very low | 49 | Very low | 59 Ų | 59 | 124.1 Ų | 124.1 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -80.1 | -18.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S283 R284 | S283-G287 PolarHBondContact O-N 3.38Å; R284-G287 PolarHBondContact O-N 2.87Å |
| 288 | E | 40.5 | Very low | 46.7 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 27 | -173.4 | -67.8 | 178.3 | 172.4 | 0 | 0 | 113.4 | ||
| 289 | E | 43.3 | Very low | 44.6 | Very low | 176 Ų | 176 | 124.6 Ų | 124.6 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.7 | 23 | 174.9 | -149.6 | -179.1 | -169.7 | 0 | 0 | 114.1 | ||
| 290 | Y | 39.7 | Very low | 42.8 | Very low | 223 Ų | 223 | 130.9 Ų | 130.9 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -148.2 | 31.3 | 174.4 | -137.3 | -92.1 | 0 | 0 | 0 | 118.3 | ||
| 291 | A | 47 | Very low | 41.4 | Very low | 92 Ų | 92 | 135 Ų | 135 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -172.8 | 95.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 292 | E | 30.7 | Very low | 40.6 | Very low | 182 Ų | 182 | 139.2 Ų | 139.2 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | -163.4 | 101.9 | 143.4 | -151.5 | 70.8 | -90.2 | 0 | 0 | 110 | ||||
| 293 | S | 44 | Very low | 40 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | trans | -136 | 68.6 | 177.3 | -76.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 294 | V | 33.4 | Very low | 39.7 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -158.2 | 141.9 | 147.2 | -139.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 295 | S | 30.1 | Very low | 39.4 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 65.6 | 144.7 | 146.6 | 176.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 296 | S | 34 | Very low | 39.4 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | cis | -170 | 144.5 | -23 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 297 | V | 32.8 | Very low | 39.6 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 49 | 123.2 | 156.1 | 173.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 298 | G | 30.1 | Very low | 39.8 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | -172.4 | 64.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 299 | H | 31.2 | Very low | 40.4 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | trans | -68.8 | 137 | -171.3 | -83.2 | -23.9 | 0 | 0 | 0 | 115.2 | ||||
| 300 | R | 34.8 | Very low | 40.6 | Very low | 246 Ų | 246 | 137.8 Ų | 137.8 | 93% | 0.928 | 78% | 0.777 | S | S | * | * | trans | -148 | 106 | 139.3 | -153.8 | 172.5 | -169.7 | 176 | 4.1 | 112.4 | ||||
| 301 | E | 39 | Very low | 41.2 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 66% | 0.659 | 78% | 0.781 | S | S | * | * | trans | -64.4 | 161.4 | 166.2 | -64.1 | 172.9 | 118.9 | 0 | 0 | 111.1 | ||||
| 302 | H | 44.8 | Very low | 41.2 | Very low | 142 Ų | 142 | 142.2 Ų | 142.2 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | cis | -160 | 168.2 | -12.9 | -104.4 | -28.1 | 0 | 0 | 0 | 106.5 | ||||
| 303 | P | 43.1 | Very low | 41.6 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | -133.5 | 143.5 | 95.4 | 10.3 | 11.6 | 0 | 0 | 0 | 113.4 | A305 | P303-A305 PolarHBondContact O-N 3.29Š| |||
| 304 | A | 46.5 | Very low | 41.7 | Very low | 73 Ų | 73 | 140.2 Ų | 140.2 | 60% | 0.603 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -79.8 | 21.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | I306 | A304-I306 PolarHBondContact O-N 3.2Š|
| 305 | A | 47.1 | Very low | 41.8 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -76 | -17.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | P303 | P303-A305 PolarHBondContact O-N 3.29Š|
| 306 | I | 50 | Low | 42.3 | Very low | 159 Ų | 159 | 139 Ų | 139 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -120.7 | 53.7 | -178.4 | -41.2 | -178.8 | 0 | 0 | 0 | 110.2 | A304 | A304-I306 PolarHBondContact O-N 3.2Š|
| 307 | R | 49.1 | Very low | 43.3 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -124.6 | 35.6 | 170.1 | -62.3 | -168.4 | 77.3 | -155.8 | 3.6 | 112.4 | S309 | R307-S309 PolarHBondContact O-N 3.46Š| ||
| 308 | S | 43.5 | Very low | 43.6 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -78.5 | 93.2 | 170.5 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | L310 | S308-L310 PolarHBondContact O-N 3.17Š| ||
| 309 | S | 54.2 | Low | 44.6 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | -75 | 107 | 174.3 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | R307 | R307-S309 PolarHBondContact O-N 3.46Š| ||
| 310 | L | 47 | Very low | 45.6 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -119.8 | 101.3 | 161.9 | -77.9 | 176.5 | 0 | 0 | 0 | 110 | S308 L312 | S308-L310 PolarHBondContact O-N 3.17Å; L310-L312 PolarHBondContact O-N 2.92Å | ||
| 311 | R | 52.3 | Low | 46.4 | Very low | 253 Ų | 253 | 134.8 Ų | 134.8 | 96% | 0.955 | 73% | 0.727 | S | S | * | * | trans | -86.9 | 81.2 | 155.4 | -85.5 | -169.6 | 163.9 | -159.1 | -5.2 | 108.7 | ||||
| 312 | L | 46.9 | Very low | 47 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 82% | 0.817 | 72% | 0.721 | S | S | * | * | trans | -97.9 | 131.1 | 137.4 | -87 | 62.5 | 0 | 0 | 0 | 103.6 | L310 | L310-L312 PolarHBondContact O-N 2.92Š| ||
| 313 | G | 39.7 | Very low | 47.6 | Very low | 60 Ų | 60 | 127.8 Ų | 127.8 | 62% | 0.619 | 70% | 0.701 | S | S | * | * | cis | 126.1 | 139.2 | 33.5 | 0 | 0 | 0 | 0 | 0 | 104.9 | V315 | G313-V315 PolarHBondContact O-N 3.38Š| ||
| 314 | E | 45.2 | Very low | 48.9 | Very low | 200 Ų | 200 | 125.3 Ų | 125.3 | 94% | 0.935 | 68% | 0.684 | S | S | * | * | trans | -63 | 112.4 | -170 | -69.3 | 162.1 | 109.4 | 0 | 0 | 111.4 | ||||
| 315 | V | 35.8 | Very low | 50.3 | Low | 125 Ų | 125 | 127.5 Ų | 127.5 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | trans | -90.1 | 109.6 | 170 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | G313 | G313-V315 PolarHBondContact O-N 3.38Š| ||
| 316 | T | 41.3 | Very low | 51.7 | Low | 100 Ų | 100 | 130.7 Ų | 130.7 | 61% | 0.613 | 67% | 0.674 | S | S | * | * | trans | -56.5 | 130.7 | -177.4 | -43.2 | 0 | 0 | 0 | 0 | 111.3 | M318 | T316-M318 HydrophobicContact CG2-CB 4.01Å; T316-M318 PolarHBondContact O-N 2.8Å | ||
| 317 | P | 54 | Low | 53.1 | Low | 93 Ų | 93 | 128.4 Ų | 128.4 | 60% | 0.604 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -5 | 178.9 | -27.2 | 35.7 | 0 | 0 | 0 | 116.2 | M321 | P317-M321 PolarHBondContact O-N 3.47Š|
| 318 | M | 41.1 | Very low | 54.8 | Low | 136 Ų | 136 | 124.4 Ų | 124.4 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63 | -39.3 | -178.7 | -151.3 | 77 | 177.1 | 0 | 0 | 113 | T316 L322 | T316-M318 HydrophobicContact CG2-CB 4.01Å; T316-M318 PolarHBondContact O-N 2.8Å; M318-L322 WeakPolarHBondContact O-CG 3.37Å; M318-L322 PolarHBondContact O-N 3Å |
| 319 | E | 49.1 | Very low | 56.9 | Low | 148 Ų | 148 | 123.7 Ų | 123.7 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -82.1 | -33 | -174.9 | -169 | 167.6 | -149.5 | 0 | 0 | 112.4 | L322 S323 | E319-L322 PolarHBondContact O-N 3.16Å; E319-S323 PolarHBondContact O-N 3.4Å |
| 320 | E | 53.9 | Low | 58.3 | Low | 141 Ų | 141 | 124.5 Ų | 124.5 | 66% | 0.659 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.9 | -40.4 | 176.6 | -172.7 | 162.2 | -143.8 | 0 | 0 | 111.5 | L322 S323 V324 | E320-L322 PolarHBondContact O-N 2.92Å; E320-S323 CarbonylContact O-C 3.5Å; E320-S323 WeakPolarHBondContact O-CA 3.42Å; E320-S323 WeakPolarHBondContact O-CB 3.37Å; E320-S323 PolarHBondContact O-N 3.49Å; E320-S323 PolarHBondContact O-OG 2.98Å; E320-V324 HydrophobicContact CG-CG2 4.44Å; E320-V324 WeakPolarHBondContact O-CG2 3.31Å; E320-V324 PolarHBondContact O-N 3.36Å |
| 321 | M | 50.8 | Low | 60.3 | Low | 124 Ų | 124 | 125 Ų | 125 | 61% | 0.611 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -57.8 | -47.3 | 173.1 | -77 | -163.1 | -101.1 | 0 | 0 | 112 | P317 S323 V324 E325 | P317-M321 PolarHBondContact O-N 3.47Å; M321-S323 PolarHBondContact O-N 3.43Å; M321-V324 PolarHBondContact O-N 2.87Å; M321-E325 WeakPolarHBondContact O-CB 3.34Å; M321-E325 PolarHBondContact O-N 2.83Å |
| 322 | L | 51.2 | Low | 62.2 | Low | 100 Ų | 100 | 120.3 Ų | 120.3 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.3 | -29.2 | 174.9 | -66.6 | 171.5 | 0 | 0 | 0 | 112.7 | M318 E319 E320 R326 | M318-L322 WeakPolarHBondContact O-CG 3.37Å; M318-L322 PolarHBondContact O-N 3Å; E319-L322 PolarHBondContact O-N 3.16Å; E320-L322 PolarHBondContact O-N 2.92Å; L322-R326 VanDerWaalsContact O-CB 3.32Å; L322-R326 WeakPolarHBondContact O-CB 3.41Å; L322-R326 PolarHBondContact O-N 3.08Å |
| 323 | S | 57.9 | Low | 64.3 | Low | 36 Ų | 36 | 116.8 Ų | 116.8 | 25% | 0.252 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -74.8 | -31.6 | 173.7 | 99.2 | 0 | 0 | 0 | 0 | 113.2 | E319 E320 M321 K327 | E319-S323 PolarHBondContact O-N 3.4Å; E320-S323 CarbonylContact O-C 3.5Å; E320-S323 WeakPolarHBondContact O-CA 3.42Å; E320-S323 WeakPolarHBondContact O-CB 3.37Å; E320-S323 PolarHBondContact O-N 3.49Å; E320-S323 PolarHBondContact O-OG 2.98Å; M321-S323 PolarHBondContact O-N 3.43Å; S323-K327 WeakPolarHBondContact O-CD 3.38Å; S323-K327 VanDerWaalsContact O-CE 3.25Å; S323-K327 WeakPolarHBondContact O-CE 3.32Å; S323-K327 WeakPolarHBondContact O-CG 3.49Å; S323-K327 PolarHBondContact O-N 3.34Å; S323-K327 PolarHBondContact O-NZ 3.46Å; S323-K327 PolarHBondContact OG-NZ 2.75Å |
| 324 | V | 69.6 | Low | 66.8 | Low | 65 Ų | 65 | 121.7 Ų | 121.7 | 39% | 0.394 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -77.2 | -48.5 | 177.7 | 169.2 | 0 | 0 | 0 | 0 | 109.5 | E320 M321 R326 K327 E328 | E320-V324 HydrophobicContact CG-CG2 4.44Å; E320-V324 WeakPolarHBondContact O-CG2 3.31Å; E320-V324 PolarHBondContact O-N 3.36Å; M321-V324 PolarHBondContact O-N 2.87Å; V324-R326 VanDerWaalsContact C-N 3.32Å; V324-R326 PolarHBondContact O-N 3.31Å; V324-K327 CarbonylContact O-C 3.56Å; V324-K327 WeakPolarHBondContact O-CA 3.42Å; V324-K327 WeakPolarHBondContact O-CB 3.38Å; V324-K327 PolarHBondContact O-N 2.89Å; V324-E328 HydrophobicContact CG1-CG 4.35Å; V324-E328 PolarHBondContact O-N 2.79Å |
| 325 | E | 76.6 | Confident | 69.2 | Low | 119 Ų | 119 | 116.6 Ų | 116.6 | 56% | 0.556 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.1 | -44.3 | 177.8 | -171.2 | 154.9 | -146.1 | 0 | 0 | 111 | M321 K327 E328 E329 | M321-E325 WeakPolarHBondContact O-CB 3.34Å; M321-E325 PolarHBondContact O-N 2.83Å; E325-K327 VanDerWaalsContact C-N 3.26Å; E325-K327 PolarHBondContact O-N 3.43Å; E325-E328 CarbonylContact O-C 3.54Å; E325-E328 WeakPolarHBondContact O-CA 3.29Å; E325-E328 PolarHBondContact O-N 2.86Å; E325-E329 WeakPolarHBondContact O-CG 3.38Å; E325-E329 PolarHBondContact O-N 2.96Å |
| 326 | R | 75.8 | Confident | 71.8 | Confident | 158 Ų | 158 | 116.6 Ų | 116.6 | 60% | 0.596 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.3 | -31.5 | 172.2 | -169.8 | -178.9 | -61.1 | 159.8 | 5.5 | 113.8 | L322 V324 Q330 | L322-R326 VanDerWaalsContact O-CB 3.32Å; L322-R326 WeakPolarHBondContact O-CB 3.41Å; L322-R326 PolarHBondContact O-N 3.08Å; V324-R326 VanDerWaalsContact C-N 3.32Å; V324-R326 PolarHBondContact O-N 3.31Å; R326-Q330 WeakPolarHBondContact O-CB 3.28Å; R326-Q330 VanDerWaalsContact O-CG 3.25Å; R326-Q330 WeakPolarHBondContact O-CG 3.19Å; R326-Q330 PolarHBondContact O-N 3.24Å; R326-Q330 VanDerWaalsContact O-N 3.15Å |
| 327 | K | 79.6 | Confident | 74.3 | Confident | 110 Ų | 110 | 114.8 Ų | 114.8 | 48% | 0.478 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -77.8 | -31.8 | 174.3 | -67.8 | 158.4 | -166.8 | 147.9 | 0 | 111.5 | S323 V324 E325 R331 | S323-K327 WeakPolarHBondContact O-CD 3.38Å; S323-K327 VanDerWaalsContact O-CE 3.25Å; S323-K327 WeakPolarHBondContact O-CE 3.32Å; S323-K327 WeakPolarHBondContact O-CG 3.49Å; S323-K327 PolarHBondContact O-N 3.34Å; S323-K327 PolarHBondContact O-NZ 3.46Å; S323-K327 PolarHBondContact OG-NZ 2.75Å; V324-K327 CarbonylContact O-C 3.56Å; V324-K327 WeakPolarHBondContact O-CA 3.42Å; V324-K327 WeakPolarHBondContact O-CB 3.38Å; V324-K327 PolarHBondContact O-N 2.89Å; E325-K327 VanDerWaalsContact C-N 3.26Å; E325-K327 PolarHBondContact O-N 3.43Å; K327-R331 VanDerWaalsContact O-CG 3.31Å; K327-R331 WeakPolarHBondContact O-CG 3.46Å; K327-R331 PolarHBondContact O-N 3.18Å |
| 328 | E | 86.3 | Confident | 76.1 | Confident | 117 Ų | 117 | 112.7 Ų | 112.7 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.8 | -37.4 | 174.6 | -64.7 | -153.3 | 127.2 | 0 | 0 | 112.1 | V324 E325 R331 R332 | V324-E328 HydrophobicContact CG1-CG 4.35Å; V324-E328 PolarHBondContact O-N 2.79Å; E325-E328 CarbonylContact O-C 3.54Å; E325-E328 WeakPolarHBondContact O-CA 3.29Å; E325-E328 PolarHBondContact O-N 2.86Å; E328-R331 CarbonylContact O-C 3.57Å; E328-R331 WeakPolarHBondContact O-CB 3.5Å; E328-R331 PolarHBondContact O-N 3.12Å; E328-R332 WeakPolarHBondContact O-CB 3.38Å; E328-R332 PolarHBondContact O-N 3.38Å |
| 329 | E | 86.3 | Confident | 78.4 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -47.4 | 167.2 | -71.4 | -172.4 | 127 | 0 | 0 | 111.3 | E325 R331 R332 V333 | E325-E329 WeakPolarHBondContact O-CG 3.38Å; E325-E329 PolarHBondContact O-N 2.96Å; E329-R331 VanDerWaalsContact C-N 3.28Å; E329-R331 PolarHBondContact O-N 2.72Å; E329-R332 PolarHBondContact O-N 3.03Å; E329-R332 VanDerWaalsContact O-N 3.15Å; E329-V333 WeakPolarHBondContact O-CB 3.46Å; E329-V333 WeakPolarHBondContact O-CG2 3.46Å; E329-V333 PolarHBondContact O-N 3.35Å |
| 330 | Q | 84.4 | Confident | 80.6 | Confident | 129 Ų | 129 | 108.7 Ų | 108.7 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.2 | -37.2 | 174.4 | -76.9 | 175.1 | 6.2 | 0 | 0 | 112.3 | R326 W334 | R326-Q330 WeakPolarHBondContact O-CB 3.28Å; R326-Q330 VanDerWaalsContact O-CG 3.25Å; R326-Q330 WeakPolarHBondContact O-CG 3.19Å; R326-Q330 PolarHBondContact O-N 3.24Å; R326-Q330 VanDerWaalsContact O-N 3.15Å; Q330-W334 WeakPolarHBondContact O-CB 3.36Å; Q330-W334 PolarHBondContact O-N 2.79Å |
| 331 | R | 88.1 | Confident | 82.1 | Confident | 162 Ų | 162 | 106.4 Ų | 106.4 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.3 | -40.8 | 172.7 | -76.3 | 171.2 | 170.8 | -163.3 | -1.5 | 112.4 | K327 E328 E329 W334 L335 | K327-R331 VanDerWaalsContact O-CG 3.31Å; K327-R331 WeakPolarHBondContact O-CG 3.46Å; K327-R331 PolarHBondContact O-N 3.18Å; E328-R331 CarbonylContact O-C 3.57Å; E328-R331 WeakPolarHBondContact O-CB 3.5Å; E328-R331 PolarHBondContact O-N 3.12Å; E329-R331 VanDerWaalsContact C-N 3.28Å; E329-R331 PolarHBondContact O-N 2.72Å; R331-W334 PolarHBondContact O-N 3.04Å; R331-L335 WeakPolarHBondContact O-CB 3.46Å; R331-L335 VanDerWaalsContact O-CG 3.29Å; R331-L335 WeakPolarHBondContact O-CG 3.47Å; R331-L335 PolarHBondContact O-N 3.37Å |
| 332 | R | 92.4 | Very high | 84.1 | Confident | 155 Ų | 155 | 107 Ų | 107 | 59% | 0.585 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.5 | -51.2 | 178.3 | -169.4 | -179.7 | 75.2 | -149 | -2.8 | 110.5 | E328 E329 W334 L335 E336 | E328-R332 WeakPolarHBondContact O-CB 3.38Å; E328-R332 PolarHBondContact O-N 3.38Å; E329-R332 PolarHBondContact O-N 3.03Å; E329-R332 VanDerWaalsContact O-N 3.15Å; R332-W334 VanDerWaalsContact C-N 3.29Å; R332-W334 PolarHBondContact O-N 3.12Å; R332-L335 PolarHBondContact O-N 3.25Å; R332-E336 VanDerWaalsContact O-CB 3.28Å; R332-E336 WeakPolarHBondContact O-CB 3.37Å; R332-E336 PolarHBondContact O-N 3.5Å |
| 333 | V | 91.8 | Very high | 86 | Confident | 82 Ų | 82 | 108 Ų | 108 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -35.2 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | E329 E337 | E329-V333 WeakPolarHBondContact O-CB 3.46Å; E329-V333 WeakPolarHBondContact O-CG2 3.46Å; E329-V333 PolarHBondContact O-N 3.35Å; V333-E337 WeakPolarHBondContact O-CB 3.26Å; V333-E337 PolarHBondContact O-N 2.86Å |
| 334 | W | 90.9 | Very high | 87.6 | Confident | 164 Ų | 164 | 111.1 Ų | 111.1 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -71.8 | -35.6 | 175.4 | -177.5 | 48.2 | 0 | 0 | 0 | 113.4 | Q330 R331 R332 L338 | Q330-W334 WeakPolarHBondContact O-CB 3.36Å; Q330-W334 PolarHBondContact O-N 2.79Å; R331-W334 PolarHBondContact O-N 3.04Å; R332-W334 VanDerWaalsContact C-N 3.29Å; R332-W334 PolarHBondContact O-N 3.12Å; W334-L338 HydrophobicContact CD2-CD1 4.22Å; W334-L338 HydrophobicContact CZ2-CD1 4.11Å; W334-L338 WeakPolarHBondContact O-CB 3.43Å; W334-L338 VanDerWaalsContact O-CG 3.27Å; W334-L338 WeakPolarHBondContact O-CG 3.42Å; W334-L338 PolarHBondContact O-N 2.95Å |
| 335 | L | 95.6 | Very high | 88.3 | Confident | 93 Ų | 93 | 111.5 Ų | 111.5 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 172.1 | -74 | 166.7 | 0 | 0 | 0 | 111.1 | R331 R332 E337 L338 D339 | R331-L335 WeakPolarHBondContact O-CB 3.46Å; R331-L335 VanDerWaalsContact O-CG 3.29Å; R331-L335 WeakPolarHBondContact O-CG 3.47Å; R331-L335 PolarHBondContact O-N 3.37Å; R332-L335 PolarHBondContact O-N 3.25Å; L335-E337 VanDerWaalsContact C-N 3.34Å; L335-E337 PolarHBondContact O-N 3.05Å; L335-L338 WeakPolarHBondContact O-CB 3.35Å; L335-L338 PolarHBondContact O-N 3.39Å; L335-L338 VanDerWaalsContact O-N 3.09Å; L335-D339 PolarHBondContact O-N 3.44Å |
| 336 | E | 91.6 | Very high | 89.1 | Confident | 125 Ų | 125 | 107.8 Ų | 107.8 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.8 | -43.6 | 173.8 | -176.4 | 174.6 | -163.4 | 0 | 0 | 111.6 | R332 D339 R340 | R332-E336 VanDerWaalsContact O-CB 3.28Å; R332-E336 WeakPolarHBondContact O-CB 3.37Å; R332-E336 PolarHBondContact O-N 3.5Å; E336-D339 PolarHBondContact O-N 3.41Å; E336-R340 VanDerWaalsContact O-CB 3.29Å; E336-R340 WeakPolarHBondContact O-CB 3.47Å; E336-R340 PolarHBondContact O-N 2.88Å |
| 337 | E | 93.6 | Very high | 90 | Very high | 62 Ų | 62 | 104.5 Ų | 104.5 | 29% | 0.29 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 173.2 | 174 | 58.3 | -157.8 | 0 | 0 | 112.7 | V333 L335 R340 Q341 | V333-E337 WeakPolarHBondContact O-CB 3.26Å; V333-E337 PolarHBondContact O-N 2.86Å; L335-E337 VanDerWaalsContact C-N 3.34Å; L335-E337 PolarHBondContact O-N 3.05Å; E337-R340 VanDerWaalsContact CD-NH2 3.25Å; E337-R340 IonicContact OE1-CZ 2.65Å; E337-R340 IonicContact OE1-NE 3.64Å; E337-R340 IonicContact OE1-NH2 2.67Å; E337-R340 PolarHBondContact OE1-NH2 2.83Å; E337-R340 IonicContact OE2-CZ 3.15Å; E337-R340 VanDerWaalsContact OE2-CZ 3.24Å; E337-R340 IonicContact OE2-NE 2.77Å; E337-R340 PolarHBondContact OE2-NE 3.32Å; E337-R340 IonicContact OE2-NH2 3.14Å; E337-R340 PolarHBondContact OE2-NH2 3.49Å; E337-Q341 WeakPolarHBondContact O-CB 3.45Å; E337-Q341 VanDerWaalsContact O-CG 3.29Å; E337-Q341 WeakPolarHBondContact O-CG 3.22Å; E337-Q341 PolarHBondContact O-N 2.59Å; E337-Q341 PolarHBondContact OE1-NE2 3.47Å |
| 338 | L | 91.6 | Very high | 90.6 | Very high | 48 Ų | 48 | 107.6 Ų | 107.6 | 25% | 0.251 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 173.8 | -77.8 | 169.5 | 0 | 0 | 0 | 112.1 | W334 L335 Q341 R342 | W334-L338 HydrophobicContact CD2-CD1 4.22Å; W334-L338 HydrophobicContact CZ2-CD1 4.11Å; W334-L338 WeakPolarHBondContact O-CB 3.43Å; W334-L338 VanDerWaalsContact O-CG 3.27Å; W334-L338 WeakPolarHBondContact O-CG 3.42Å; W334-L338 PolarHBondContact O-N 2.95Å; L335-L338 WeakPolarHBondContact O-CB 3.35Å; L335-L338 PolarHBondContact O-N 3.39Å; L335-L338 VanDerWaalsContact O-N 3.09Å; L338-Q341 PolarHBondContact O-N 2.9Å; L338-R342 VanDerWaalsContact O-CG 3.27Å; L338-R342 WeakPolarHBondContact O-CG 3.36Å; L338-R342 PolarHBondContact O-N 3.44Å |
| 339 | D | 89.9 | Confident | 90.9 | Very high | 82 Ų | 82 | 109.2 Ų | 109.2 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73 | -38.8 | 173.9 | -79.2 | -52.3 | 0 | 0 | 0 | 112.1 | L335 E336 Q341 R342 E343 | L335-D339 PolarHBondContact O-N 3.44Å; E336-D339 PolarHBondContact O-N 3.41Å; D339-Q341 VanDerWaalsContact C-N 3.28Å; D339-Q341 PolarHBondContact O-N 2.79Å; D339-R342 CarbonylContact O-C 3.6Å; D339-R342 WeakPolarHBondContact O-CB 3.35Å; D339-R342 PolarHBondContact O-N 2.92Å; D339-R342 VanDerWaalsContact OD1-CD 3.24Å; D339-R342 WeakPolarHBondContact OD1-CD 3.44Å; D339-R342 IonicContact OD1-CZ 3.12Å; D339-R342 IonicContact OD1-NE 2.67Å; D339-R342 IonicContact OD1-NH1 2.72Å; D339-R342 PolarHBondContact OD1-NH1 3.06Å; D339-R342 IonicContact OD2-NH1 2.59Å; D339-R342 PolarHBondContact OD2-NH1 3.28Å; D339-E343 PolarHBondContact O-N 2.78Å |
| 340 | R | 95.6 | Very high | 91.2 | Very high | 118 Ų | 118 | 110.9 Ų | 110.9 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.3 | -39.7 | 169 | -161.9 | -172.6 | 69.2 | 66.7 | 5.3 | 111.6 | E336 E337 E343 E344 | E336-R340 VanDerWaalsContact O-CB 3.29Å; E336-R340 WeakPolarHBondContact O-CB 3.47Å; E336-R340 PolarHBondContact O-N 2.88Å; E337-R340 VanDerWaalsContact CD-NH2 3.25Å; E337-R340 IonicContact OE1-CZ 2.65Å; E337-R340 IonicContact OE1-NE 3.64Å; E337-R340 IonicContact OE1-NH2 2.67Å; E337-R340 PolarHBondContact OE1-NH2 2.83Å; E337-R340 IonicContact OE2-CZ 3.15Å; E337-R340 VanDerWaalsContact OE2-CZ 3.24Å; E337-R340 IonicContact OE2-NE 2.77Å; E337-R340 PolarHBondContact OE2-NE 3.32Å; E337-R340 IonicContact OE2-NH2 3.14Å; E337-R340 PolarHBondContact OE2-NH2 3.49Å; R340-E343 PolarHBondContact O-N 2.96Å; R340-E344 IonicContact CZ-OE2 3.49Å; R340-E344 IonicContact NH1-OE2 2.82Å; R340-E344 PolarHBondContact NH1-OE2 3.43Å; R340-E344 WeakPolarHBondContact O-CB 3.33Å; R340-E344 PolarHBondContact O-N 3.17Å |
| 341 | Q | 84 | Confident | 91.4 | Very high | 93 Ų | 93 | 109.9 Ų | 109.9 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.3 | -33.9 | 173.8 | -74.3 | 178.2 | 26.7 | 0 | 0 | 113.3 | E337 L338 D339 T345 | E337-Q341 WeakPolarHBondContact O-CB 3.45Å; E337-Q341 VanDerWaalsContact O-CG 3.29Å; E337-Q341 WeakPolarHBondContact O-CG 3.22Å; E337-Q341 PolarHBondContact O-N 2.59Å; E337-Q341 PolarHBondContact OE1-NE2 3.47Å; L338-Q341 PolarHBondContact O-N 2.9Å; D339-Q341 VanDerWaalsContact C-N 3.28Å; D339-Q341 PolarHBondContact O-N 2.79Å; Q341-T345 WeakPolarHBondContact O-CB 3.37Å; Q341-T345 VanDerWaalsContact O-CG2 3.29Å; Q341-T345 WeakPolarHBondContact O-CG2 3.45Å; Q341-T345 PolarHBondContact O-N 3.27Å; Q341-T345 PolarHBondContact O-OG1 3.02Å |
| 342 | R | 92.8 | Very high | 91.6 | Very high | 137 Ų | 137 | 107.8 Ų | 107.8 | 52% | 0.517 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 172.3 | -71.3 | 161.5 | -171.8 | 151.3 | 5.3 | 110.7 | L338 D339 T345 A346 | L338-R342 VanDerWaalsContact O-CG 3.27Å; L338-R342 WeakPolarHBondContact O-CG 3.36Å; L338-R342 PolarHBondContact O-N 3.44Å; D339-R342 CarbonylContact O-C 3.6Å; D339-R342 WeakPolarHBondContact O-CB 3.35Å; D339-R342 PolarHBondContact O-N 2.92Å; D339-R342 VanDerWaalsContact OD1-CD 3.24Å; D339-R342 WeakPolarHBondContact OD1-CD 3.44Å; D339-R342 IonicContact OD1-CZ 3.12Å; D339-R342 IonicContact OD1-NE 2.67Å; D339-R342 IonicContact OD1-NH1 2.72Å; D339-R342 PolarHBondContact OD1-NH1 3.06Å; D339-R342 IonicContact OD2-NH1 2.59Å; D339-R342 PolarHBondContact OD2-NH1 3.28Å; R342-T345 PolarHBondContact O-OG1 2.74Å; R342-A346 VanDerWaalsContact O-CB 3.28Å; R342-A346 WeakPolarHBondContact O-CB 3.44Å; R342-A346 PolarHBondContact O-N 2.8Å |
| 343 | E | 92.2 | Very high | 91.7 | Very high | 122 Ų | 122 | 107.2 Ų | 107.2 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.4 | -54.4 | 175.8 | -177 | 152.1 | -122.7 | 0 | 0 | 111.5 | D339 R340 T345 A346 E347 | D339-E343 PolarHBondContact O-N 2.78Å; R340-E343 PolarHBondContact O-N 2.96Å; E343-T345 VanDerWaalsContact C-N 3.25Å; E343-T345 PolarHBondContact O-N 3.43Å; E343-A346 CarbonylContact O-C 3.47Å; E343-A346 WeakPolarHBondContact O-CA 3.35Å; E343-A346 WeakPolarHBondContact O-CB 3.46Å; E343-A346 PolarHBondContact O-N 2.67Å; E343-E347 HydrophobicContact CG-CG 4.06Å; E343-E347 VanDerWaalsContact O-CG 3.32Å; E343-E347 WeakPolarHBondContact O-CG 3.44Å; E343-E347 PolarHBondContact O-N 3.42Å |
| 344 | E | 90.9 | Very high | 91.7 | Very high | 100 Ų | 100 | 108.4 Ų | 108.4 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.6 | -39.5 | 178.9 | -168.5 | -168.6 | 130.9 | 0 | 0 | 111.7 | R340 R348 | R340-E344 IonicContact CZ-OE2 3.49Å; R340-E344 IonicContact NH1-OE2 2.82Å; R340-E344 PolarHBondContact NH1-OE2 3.43Å; R340-E344 WeakPolarHBondContact O-CB 3.33Å; R340-E344 PolarHBondContact O-N 3.17Å; E344-R348 WeakPolarHBondContact O-CB 3.33Å; E344-R348 PolarHBondContact O-N 3.04Å |
| 345 | T | 83.9 | Confident | 91.3 | Very high | 74 Ų | 74 | 106.4 Ų | 106.4 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.6 | -28.5 | 174.7 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | Q341 R342 E343 R349 | Q341-T345 WeakPolarHBondContact O-CB 3.37Å; Q341-T345 VanDerWaalsContact O-CG2 3.29Å; Q341-T345 WeakPolarHBondContact O-CG2 3.45Å; Q341-T345 PolarHBondContact O-N 3.27Å; Q341-T345 PolarHBondContact O-OG1 3.02Å; R342-T345 PolarHBondContact O-OG1 2.74Å; E343-T345 VanDerWaalsContact C-N 3.25Å; E343-T345 PolarHBondContact O-N 3.43Å; T345-R349 WeakPolarHBondContact O-CB 3.45Å; T345-R349 VanDerWaalsContact O-CD 3.31Å; T345-R349 WeakPolarHBondContact O-CD 3.41Å; T345-R349 WeakPolarHBondContact O-CG 3.26Å; T345-R349 PolarHBondContact O-N 3.49Å; T345-R349 VanDerWaalsContact O-N 3.14Å |
| 346 | A | 94.6 | Very high | 90.7 | Very high | 41 Ų | 41 | 108.4 Ų | 108.4 | 34% | 0.339 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.4 | -42.2 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | R342 E343 R349 K350 | R342-A346 VanDerWaalsContact O-CB 3.28Å; R342-A346 WeakPolarHBondContact O-CB 3.44Å; R342-A346 PolarHBondContact O-N 2.8Å; E343-A346 CarbonylContact O-C 3.47Å; E343-A346 WeakPolarHBondContact O-CA 3.35Å; E343-A346 WeakPolarHBondContact O-CB 3.46Å; E343-A346 PolarHBondContact O-N 2.67Å; A346-R349 CarbonylContact O-C 3.51Å; A346-R349 WeakPolarHBondContact O-CB 3.5Å; A346-R349 PolarHBondContact O-N 3.25Å; A346-K350 WeakPolarHBondContact O-CG 3.49Å; A346-K350 PolarHBondContact O-N 3.32Å |
| 347 | E | 94.4 | Very high | 90.4 | Very high | 89 Ų | 89 | 110.3 Ų | 110.3 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 174.8 | -66.5 | -138.3 | 117.4 | 0 | 0 | 111.8 | E343 R349 K350 Q351 | E343-E347 HydrophobicContact CG-CG 4.06Å; E343-E347 VanDerWaalsContact O-CG 3.32Å; E343-E347 WeakPolarHBondContact O-CG 3.44Å; E343-E347 PolarHBondContact O-N 3.42Å; E347-R349 PolarHBondContact O-N 2.96Å; E347-K350 CarbonylContact O-C 3.56Å; E347-K350 WeakPolarHBondContact O-CA 3.47Å; E347-K350 WeakPolarHBondContact O-CB 3.5Å; E347-K350 PolarHBondContact O-N 3.44Å; E347-Q351 WeakPolarHBondContact O-CG 3.48Å; E347-Q351 PolarHBondContact O-N 3.24Å |
| 348 | R | 92.1 | Very high | 89.5 | Confident | 174 Ų | 174 | 113.2 Ų | 113.2 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.9 | -38.6 | 172.7 | -177.6 | 174.2 | 174.9 | 163.8 | 1.6 | 111.5 | E344 Q351 E352 | E344-R348 WeakPolarHBondContact O-CB 3.33Å; E344-R348 PolarHBondContact O-N 3.04Å; R348-Q351 PolarHBondContact O-N 2.83Å; R348-E352 WeakPolarHBondContact O-CB 3.28Å; R348-E352 PolarHBondContact O-N 3.49Å |
| 349 | R | 92.1 | Very high | 88.7 | Confident | 152 Ų | 152 | 114.2 Ų | 114.2 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.5 | -31.7 | 172.8 | -76.9 | 167.7 | 167.2 | -175.4 | -6.1 | 113.5 | T345 A346 E347 K353 | T345-R349 WeakPolarHBondContact O-CB 3.45Å; T345-R349 VanDerWaalsContact O-CD 3.31Å; T345-R349 WeakPolarHBondContact O-CD 3.41Å; T345-R349 WeakPolarHBondContact O-CG 3.26Å; T345-R349 PolarHBondContact O-N 3.49Å; T345-R349 VanDerWaalsContact O-N 3.14Å; A346-R349 CarbonylContact O-C 3.51Å; A346-R349 WeakPolarHBondContact O-CB 3.5Å; A346-R349 PolarHBondContact O-N 3.25Å; E347-R349 PolarHBondContact O-N 2.96Å; R349-K353 VanDerWaalsContact O-CB 3.29Å; R349-K353 WeakPolarHBondContact O-CB 3.34Å; R349-K353 WeakPolarHBondContact O-CD 3.42Å; R349-K353 WeakPolarHBondContact O-CG 3.43Å; R349-K353 PolarHBondContact O-N 2.85Å |
| 350 | K | 93.4 | Very high | 88.2 | Confident | 126 Ų | 126 | 112.9 Ų | 112.9 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -46.7 | 171.3 | -67.1 | 167.4 | -162.5 | 165.6 | 0 | 109.9 | A346 E347 K353 L354 | A346-K350 WeakPolarHBondContact O-CG 3.49Å; A346-K350 PolarHBondContact O-N 3.32Å; E347-K350 CarbonylContact O-C 3.56Å; E347-K350 WeakPolarHBondContact O-CA 3.47Å; E347-K350 WeakPolarHBondContact O-CB 3.5Å; E347-K350 PolarHBondContact O-N 3.44Å; K350-K353 PolarHBondContact O-N 2.78Å; K350-L354 PolarHBondContact O-N 3.01Å |
| 351 | Q | 88.6 | Confident | 87.3 | Confident | 109 Ų | 109 | 111.6 Ų | 111.6 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 177.7 | -66.3 | 174.6 | 14.3 | 0 | 0 | 112.1 | E347 R348 K353 L354 Q355 | E347-Q351 WeakPolarHBondContact O-CG 3.48Å; E347-Q351 PolarHBondContact O-N 3.24Å; R348-Q351 PolarHBondContact O-N 2.83Å; Q351-K353 VanDerWaalsContact C-N 3.34Å; Q351-K353 PolarHBondContact O-N 2.87Å; Q351-L354 WeakPolarHBondContact O-CB 3.22Å; Q351-L354 PolarHBondContact O-N 3.37Å; Q351-L354 VanDerWaalsContact O-N 3.11Å; Q351-Q355 WeakPolarHBondContact O-CG 3.38Å; Q351-Q355 PolarHBondContact O-N 2.84Å |
| 352 | E | 91.4 | Very high | 86.7 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 173.4 | -175.5 | -176.7 | 167 | 0 | 0 | 110.9 | R348 L354 R356 | R348-E352 WeakPolarHBondContact O-CB 3.28Å; R348-E352 PolarHBondContact O-N 3.49Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 2.84Å; E352-R356 WeakPolarHBondContact O-CB 3.34Å; E352-R356 PolarHBondContact O-N 3.47Å |
| 353 | K | 94.9 | Very high | 86 | Confident | 144 Ų | 144 | 114 Ų | 114 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.6 | -32.7 | 173 | -76.9 | 172.2 | -179.8 | -177 | 0 | 113.3 | R349 K350 Q351 R357 | R349-K353 VanDerWaalsContact O-CB 3.29Å; R349-K353 WeakPolarHBondContact O-CB 3.34Å; R349-K353 WeakPolarHBondContact O-CD 3.42Å; R349-K353 WeakPolarHBondContact O-CG 3.43Å; R349-K353 PolarHBondContact O-N 2.85Å; K350-K353 PolarHBondContact O-N 2.78Å; Q351-K353 VanDerWaalsContact C-N 3.34Å; Q351-K353 PolarHBondContact O-N 2.87Å; K353-R357 WeakPolarHBondContact O-CB 3.33Å; K353-R357 VanDerWaalsContact O-CG 3.26Å; K353-R357 WeakPolarHBondContact O-CG 3.42Å; K353-R357 PolarHBondContact O-N 3.39Å |
| 354 | L | 92.4 | Very high | 85.5 | Confident | 106 Ų | 106 | 113.7 Ų | 113.7 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.7 | -48.8 | 176.3 | -168.2 | 80 | 0 | 0 | 0 | 110.8 | K350 Q351 E352 R357 Q358 | K350-L354 PolarHBondContact O-N 3.01Å; Q351-L354 WeakPolarHBondContact O-CB 3.22Å; Q351-L354 PolarHBondContact O-N 3.37Å; Q351-L354 VanDerWaalsContact O-N 3.11Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 2.84Å; L354-R357 PolarHBondContact O-N 3.5Å; L354-Q358 WeakPolarHBondContact O-CG 3.47Å; L354-Q358 PolarHBondContact O-N 2.83Å |
| 355 | Q | 80.9 | Confident | 84.6 | Confident | 122 Ų | 122 | 119 Ų | 119 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 175.5 | -68.3 | 174.5 | 21.9 | 0 | 0 | 111 | Q351 R357 Q358 T359 | Q351-Q355 WeakPolarHBondContact O-CG 3.38Å; Q351-Q355 PolarHBondContact O-N 2.84Å; Q355-R357 PolarHBondContact O-N 3Å; Q355-Q358 PolarHBondContact O-N 3.37Å; Q355-T359 PolarHBondContact O-N 3.49Å; Q355-T359 PolarHBondContact O-OG1 3.47Å |
| 356 | R | 83.3 | Confident | 83.9 | Confident | 136 Ų | 136 | 118.2 Ų | 118.2 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 176.9 | -170.9 | 175.9 | 177 | -72.1 | -17.5 | 112.1 | E352 T359 E360 | E352-R356 WeakPolarHBondContact O-CB 3.34Å; E352-R356 PolarHBondContact O-N 3.47Å; R356-T359 WeakPolarHBondContact CA-OG1 3.47Å; R356-T359 PolarHBondContact O-N 3.34Å; R356-T359 PolarHBondContact O-OG1 2.9Å; R356-E360 HydrophobicContact CG-CG 4.37Å; R356-E360 IonicContact CZ-OE1 3.04Å; R356-E360 IonicContact CZ-OE2 3.47Å; R356-E360 IonicContact NH1-OE1 2.73Å; R356-E360 PolarHBondContact NH1-OE1 2.8Å; R356-E360 IonicContact NH1-OE2 2.74Å; R356-E360 PolarHBondContact NH1-OE2 2.87Å; R356-E360 IonicContact NH2-OE1 2.71Å; R356-E360 PolarHBondContact NH2-OE1 3.34Å; R356-E360 IonicContact NH2-OE2 3.92Å; R356-E360 VanDerWaalsContact O-CB 3.24Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 VanDerWaalsContact O-CG 3.23Å; R356-E360 WeakPolarHBondContact O-CG 3.42Å; R356-E360 PolarHBondContact O-N 3.3Å |
| 357 | R | 85.4 | Confident | 83 | Confident | 164 Ų | 164 | 119.4 Ų | 119.4 | 62% | 0.619 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.1 | -48.5 | 170.1 | -81.6 | 173.2 | 173 | -86.2 | 3.2 | 111.4 | K353 L354 Q355 T359 E360 D361 | K353-R357 WeakPolarHBondContact O-CB 3.33Å; K353-R357 VanDerWaalsContact O-CG 3.26Å; K353-R357 WeakPolarHBondContact O-CG 3.42Å; K353-R357 PolarHBondContact O-N 3.39Å; L354-R357 PolarHBondContact O-N 3.5Å; Q355-R357 PolarHBondContact O-N 3Å; R357-T359 VanDerWaalsContact C-N 3.32Å; R357-T359 PolarHBondContact O-N 2.87Å; R357-E360 PolarHBondContact O-N 3.33Å; R357-D361 WeakPolarHBondContact O-CB 3.26Å; R357-D361 PolarHBondContact O-N 2.92Å; R357-D361 VanDerWaalsContact O-OD2 3.12Å |
| 358 | Q | 74.5 | Confident | 81.7 | Confident | 123 Ų | 123 | 122.1 Ų | 122.1 | 58% | 0.575 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.3 | -40.1 | 177.5 | -72.3 | 178.9 | 1.9 | 0 | 0 | 112.8 | L354 Q355 H362 | L354-Q358 WeakPolarHBondContact O-CG 3.47Å; L354-Q358 PolarHBondContact O-N 2.83Å; Q355-Q358 PolarHBondContact O-N 3.37Å; Q358-H362 WeakPolarHBondContact O-CB 3.39Å; Q358-H362 PolarHBondContact O-N 3.05Å |
| 359 | T | 74.7 | Confident | 80.1 | Confident | 70 Ų | 70 | 121.4 Ų | 121.4 | 43% | 0.429 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.4 | -40.1 | 174.4 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | Q355 R356 R357 H362 E363 | Q355-T359 PolarHBondContact O-N 3.49Å; Q355-T359 PolarHBondContact O-OG1 3.47Å; R356-T359 WeakPolarHBondContact CA-OG1 3.47Å; R356-T359 PolarHBondContact O-N 3.34Å; R356-T359 PolarHBondContact O-OG1 2.9Å; R357-T359 VanDerWaalsContact C-N 3.32Å; R357-T359 PolarHBondContact O-N 2.87Å; T359-H362 PolarHBondContact O-N 3.01Å; T359-E363 VanDerWaalsContact O-CB 3.28Å; T359-E363 WeakPolarHBondContact O-CB 3.48Å; T359-E363 VanDerWaalsContact O-CG 3.25Å; T359-E363 WeakPolarHBondContact O-CG 3.41Å; T359-E363 PolarHBondContact O-N 2.79Å |
| 360 | E | 79.6 | Confident | 78.5 | Confident | 53 Ų | 53 | 117.5 Ų | 117.5 | 25% | 0.248 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -61.1 | -46 | 174.4 | -80.5 | 175.8 | 128 | 0 | 0 | 110.6 | R356 R357 H362 E363 H364 | R356-E360 HydrophobicContact CG-CG 4.37Å; R356-E360 IonicContact CZ-OE1 3.04Å; R356-E360 IonicContact CZ-OE2 3.47Å; R356-E360 IonicContact NH1-OE1 2.73Å; R356-E360 PolarHBondContact NH1-OE1 2.8Å; R356-E360 IonicContact NH1-OE2 2.74Å; R356-E360 PolarHBondContact NH1-OE2 2.87Å; R356-E360 IonicContact NH2-OE1 2.71Å; R356-E360 PolarHBondContact NH2-OE1 3.34Å; R356-E360 IonicContact NH2-OE2 3.92Å; R356-E360 VanDerWaalsContact O-CB 3.24Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 VanDerWaalsContact O-CG 3.23Å; R356-E360 WeakPolarHBondContact O-CG 3.42Å; R356-E360 PolarHBondContact O-N 3.3Å; R357-E360 PolarHBondContact O-N 3.33Å; E360-H362 PolarHBondContact O-N 3.26Å; E360-E363 PolarHBondContact O-N 3.36Å; E360-H364 WeakPolarHBondContact O-CB 3.36Å; E360-H364 PolarHBondContact O-N 3.17Å; E360-H364 PolarHBondContact O-ND1 2.92Å |
| 361 | D | 77.1 | Confident | 76.8 | Confident | 91 Ų | 91 | 115.4 Ų | 115.4 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.6 | -50.3 | 175.6 | -65.7 | -33.4 | 0 | 0 | 0 | 109.7 | R357 E363 H364 W365 | R357-D361 WeakPolarHBondContact O-CB 3.26Å; R357-D361 PolarHBondContact O-N 2.92Å; R357-D361 VanDerWaalsContact O-OD2 3.12Å; D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.06Å; D361-H364 PolarHBondContact O-N 2.88Å; D361-W365 WeakPolarHBondContact O-CB 3.32Å; D361-W365 PolarHBondContact O-N 2.84Å |
| 362 | H | 71.8 | Confident | 75.2 | Confident | 153 Ų | 153 | 116.4 Ų | 116.4 | 71% | 0.708 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.5 | -38.7 | 177.5 | -129.2 | 72.6 | 0 | 0 | 0 | 113.2 | Q358 T359 E360 A366 | Q358-H362 WeakPolarHBondContact O-CB 3.39Å; Q358-H362 PolarHBondContact O-N 3.05Å; T359-H362 PolarHBondContact O-N 3.01Å; E360-H362 PolarHBondContact O-N 3.26Å; H362-A366 VanDerWaalsContact O-CB 3.24Å; H362-A366 WeakPolarHBondContact O-CB 3.48Å; H362-A366 PolarHBondContact O-N 2.89Å |
| 363 | E | 78.6 | Confident | 73.4 | Confident | 129 Ų | 129 | 117.8 Ų | 117.8 | 60% | 0.603 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.2 | -36.9 | 177.7 | -75.7 | 173.5 | -169.5 | 0 | 0 | 112.4 | T359 E360 D361 A366 A367 | T359-E363 VanDerWaalsContact O-CB 3.28Å; T359-E363 WeakPolarHBondContact O-CB 3.48Å; T359-E363 VanDerWaalsContact O-CG 3.25Å; T359-E363 WeakPolarHBondContact O-CG 3.41Å; T359-E363 PolarHBondContact O-N 2.79Å; E360-E363 PolarHBondContact O-N 3.36Å; D361-E363 VanDerWaalsContact C-N 3.34Å; D361-E363 PolarHBondContact O-N 3.06Å; E363-A366 PolarHBondContact O-N 3.49Å; E363-A367 WeakPolarHBondContact O-CB 3.43Å; E363-A367 PolarHBondContact O-N 3.38Å |
| 364 | H | 80.1 | Confident | 71.2 | Confident | 115 Ų | 115 | 121.2 Ų | 121.2 | 53% | 0.532 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.4 | -45.7 | 174 | -75.9 | 73 | 0 | 0 | 0 | 110.5 | E360 D361 A366 A367 H368 | E360-H364 WeakPolarHBondContact O-CB 3.36Å; E360-H364 PolarHBondContact O-N 3.17Å; E360-H364 PolarHBondContact O-ND1 2.92Å; D361-H364 PolarHBondContact O-N 2.88Å; H364-A366 PolarHBondContact O-N 3.21Å; H364-A367 PolarHBondContact O-N 3.4Å; H364-H368 PolarHBondContact O-CD2 3.37Å; H364-H368 PolarHBondContact O-N 2.82Å |
| 365 | W | 71.8 | Confident | 69.3 | Low | 212 Ų | 212 | 127.1 Ų | 127.1 | 80% | 0.803 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.2 | -42.3 | 173.6 | -83.9 | 82.3 | 0 | 0 | 0 | 112 | D361 H368 | D361-W365 WeakPolarHBondContact O-CB 3.32Å; D361-W365 PolarHBondContact O-N 2.84Å; W365-H368 PolarHBondContact O-N 3.1Å |
| 366 | A | 70.6 | Confident | 67.2 | Low | 57 Ų | 57 | 125.7 Ų | 125.7 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.3 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | H362 E363 H364 H368 F369 D370 | H362-A366 VanDerWaalsContact O-CB 3.24Å; H362-A366 WeakPolarHBondContact O-CB 3.48Å; H362-A366 PolarHBondContact O-N 2.89Å; E363-A366 PolarHBondContact O-N 3.49Å; H364-A366 PolarHBondContact O-N 3.21Å; A366-H368 VanDerWaalsContact C-N 3.26Å; A366-H368 PolarHBondContact O-N 3.16Å; A366-F369 PolarHBondContact O-N 3.33Å; A366-D370 PolarHBondContact O-N 3.25Å |
| 367 | A | 75.4 | Confident | 65.4 | Low | 66 Ų | 66 | 124.3 Ų | 124.3 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.8 | -30.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | E363 H364 | E363-A367 WeakPolarHBondContact O-CB 3.43Å; E363-A367 PolarHBondContact O-N 3.38Å; H364-A367 PolarHBondContact O-N 3.4Å |
| 368 | H | 66.4 | Low | 63.2 | Low | 145 Ų | 145 | 121.3 Ų | 121.3 | 67% | 0.671 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.1 | -41.6 | 171.2 | -73.4 | -60.6 | 0 | 0 | 0 | 112.1 | H364 W365 A366 S371 | H364-H368 PolarHBondContact O-CD2 3.37Å; H364-H368 PolarHBondContact O-N 2.82Å; W365-H368 PolarHBondContact O-N 3.1Å; A366-H368 VanDerWaalsContact C-N 3.26Å; A366-H368 PolarHBondContact O-N 3.16Å; H368-S371 PolarHBondContact O-OG 2.87Å |
| 369 | F | 59.9 | Low | 61.7 | Low | 160 Ų | 160 | 123.4 Ų | 123.4 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -76.8 | -39.3 | -177.9 | -134.8 | -93.6 | 0 | 0 | 0 | 113.2 | A366 S371 L372 | A366-F369 PolarHBondContact O-N 3.33Å; F369-S371 PolarHBondContact O-N 2.93Å; F369-S371 VanDerWaalsContact O-N 3.13Å; F369-L372 PolarHBondContact O-N 3.35Å; F369-L372 VanDerWaalsContact O-N 3.13Å |
| 370 | D | 57.7 | Low | 60.3 | Low | 70 Ų | 70 | 125.4 Ų | 125.4 | 37% | 0.374 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69 | -13 | -176.5 | -153.2 | 45.3 | 0 | 0 | 0 | 113.4 | A366 L372 Q373 | A366-D370 PolarHBondContact O-N 3.25Å; D370-L372 PolarHBondContact O-N 2.84Å; D370-Q373 PolarHBondContact O-N 3.44Å; D370-Q373 PolarHBondContact OD1-NE2 2.84Å |
| 371 | S | 56.5 | Low | 58.2 | Low | 82 Ų | 82 | 127.8 Ų | 127.8 | 57% | 0.573 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -29.4 | 170.3 | 73.8 | 0 | 0 | 0 | 0 | 113.4 | H368 F369 | H368-S371 PolarHBondContact O-OG 2.87Å; F369-S371 PolarHBondContact O-N 2.93Å; F369-S371 VanDerWaalsContact O-N 3.13Å |
| 372 | L | 56.5 | Low | 56.1 | Low | 129 Ų | 129 | 127.8 Ų | 127.8 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -27 | -178.9 | -65.8 | 169.8 | 0 | 0 | 0 | 112.8 | F369 D370 R374 | F369-L372 PolarHBondContact O-N 3.35Å; F369-L372 VanDerWaalsContact O-N 3.13Å; D370-L372 PolarHBondContact O-N 2.84Å; L372-R374 VanDerWaalsContact C-N 3.35Å; L372-R374 PolarHBondContact O-N 2.88Å |
| 373 | Q | 52.4 | Low | 54.9 | Low | 147 Ų | 147 | 127 Ų | 127 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -18.7 | -175.1 | -60.3 | -157.2 | 96.4 | 0 | 0 | 113.5 | D370 R375 | D370-Q373 PolarHBondContact O-N 3.44Å; D370-Q373 PolarHBondContact OD1-NE2 2.84Å; Q373-R375 PolarHBondContact O-N 3.46Å |
| 374 | R | 49 | Very low | 52.7 | Low | 216 Ų | 216 | 124.7 Ų | 124.7 | 82% | 0.815 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 27.2 | -177.7 | -60.5 | -164.4 | -175.7 | -145.7 | 1.9 | 114.9 | L372 | L372-R374 VanDerWaalsContact C-N 3.35Å; L372-R374 PolarHBondContact O-N 2.88Å |
| 375 | R | 52.2 | Low | 50.6 | Low | 230 Ų | 230 | 130.7 Ų | 130.7 | 87% | 0.868 | 72% | 0.724 | S | S | * | * | trans | -130.7 | 46.6 | 176.1 | -155.8 | 173.2 | -176.9 | 155.9 | 1.2 | 114 | Q373 | Q373-R375 PolarHBondContact O-N 3.46Š| ||
| 376 | A | 38.3 | Very low | 48.6 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | -62.3 | 135.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 377 | P | 44.5 | Very low | 46.8 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | trans | -81.9 | 138.7 | -175.1 | 31.6 | -34.7 | 0 | 0 | 0 | 113 | Q379 | P377-Q379 PolarHBondContact O-N 3.21Š| ||
| 378 | A | 39.7 | Very low | 44.6 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -77.1 | 115.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 379 | Q | 43.8 | Very low | 43.2 | Very low | 166 Ų | 166 | 129.8 Ų | 129.8 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 135.1 | 179.8 | -66.6 | -75.7 | 10.8 | 0 | 0 | 112.3 | P377 | P377-Q379 PolarHBondContact O-N 3.21Š|
| 380 | P | 43.6 | Very low | 41.9 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -97 | 163.1 | 147 | 35.3 | -28.2 | 0 | 0 | 0 | 111.1 | ||
| 381 | A | 35.2 | Very low | 40.8 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 156.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 382 | A | 34.6 | Very low | 39.7 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 168 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 383 | P | 45.9 | Very low | 38.6 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | -139.9 | 156.1 | 64.4 | 38.5 | -22.1 | 0 | 0 | 0 | 116.2 | |||||
| 384 | G | 32.1 | Very low | 37.6 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | 179 | 131 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 385 | R | 35.4 | Very low | 36.8 | Very low | 241 Ų | 241 | 137.3 Ų | 137.3 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -88.8 | 160.7 | 172.4 | -66.7 | 178 | 165.6 | -147.2 | -2.2 | 108.8 | ||||
| 386 | L | 31.8 | Very low | 37 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | cis | -149.4 | 178 | 45.9 | -85.8 | 166.3 | 0 | 0 | 0 | 114.1 | ||||
| 387 | S | 32.5 | Very low | 36.6 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -77.9 | 159.1 | -173.3 | -168.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 388 | G | 28.7 | Very low | 35.9 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 142.5 | 119.1 | 165 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 389 | S | 36.2 | Very low | 35.9 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | cis | 173.2 | 161.4 | -19.5 | 171.6 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 390 | E | 33.2 | Very low | 35.3 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 66% | 0.659 | 78% | 0.784 | S | S | * | * | trans | 73.6 | 106.3 | 177.1 | -41.1 | -150.5 | 84.7 | 0 | 0 | 113 | ||||
| 391 | R | 34.3 | Very low | 35 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | 76.9 | 114.6 | 70 | -74.8 | -173 | -76.9 | -119.5 | 3.1 | 112.5 | |||||
| 392 | D | 32.9 | Very low | 35.1 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 47.3 | 134.1 | 121.5 | -38.6 | -39.6 | 0 | 0 | 0 | 117.8 | |||||
| 393 | D | 33.4 | Very low | 35.3 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | cis | -155.9 | -174.1 | 39.3 | -134.3 | -39.8 | 0 | 0 | 0 | 115.4 | ||||
| 394 | W | 31.5 | Very low | 34.8 | Very low | 224 Ų | 224 | 140.6 Ų | 140.6 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -84 | 123.4 | -168 | -78.2 | 72.6 | 0 | 0 | 0 | 117.6 | ||||
| 395 | N | 33.5 | Very low | 35 | Very low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | 65.1 | -160.8 | 125 | -148.5 | 22.6 | 0 | 0 | 0 | 117 | |||||
| 396 | P | 55.2 | Low | 35.2 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 62% | 0.623 | 77% | 0.766 | S | S | * | * | -118.4 | 157.1 | -111 | 37.7 | -23.1 | 0 | 0 | 0 | 116.7 | |||||
| 397 | S | 30.4 | Very low | 35.4 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -173.6 | 129.4 | 139.1 | -85.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 398 | S | 31.2 | Very low | 35.7 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | -175.5 | 148.6 | 106.7 | -163.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 399 | S | 39.1 | Very low | 35.9 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -76.8 | 153.3 | -179.4 | -54 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 400 | L | 30.9 | Very low | 36 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | 171.4 | 123.5 | 137.7 | -88 | 164.7 | 0 | 0 | 0 | 105.4 | ||||
| 401 | S | 37.1 | Very low | 36.2 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 78.6 | 150.3 | 51.9 | -158 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 402 | L | 37 | Very low | 36.2 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | 69.4 | 129.4 | -166.2 | -74 | 70.4 | 0 | 0 | 0 | 113.1 | ||||
| 403 | V | 39.7 | Very low | 36.6 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | cis | 69.1 | 99.6 | 32.2 | -169.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 404 | W | 35.6 | Very low | 37.1 | Very low | 250 Ų | 250 | 132.6 Ų | 132.6 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -116 | 83.6 | -178.2 | -77.6 | 100.1 | 0 | 0 | 0 | 112.8 | ||||
| 405 | E | 36.1 | Very low | 37.6 | Very low | 191 Ų | 191 | 127.7 Ų | 127.7 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -128.4 | 144.3 | 146.9 | -63 | -178.1 | 142.9 | 0 | 0 | 105.2 | ||||
| 406 | G | 39.4 | Very low | 37.9 | Very low | 59 Ų | 59 | 130.1 Ų | 130.1 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | cis | 170.9 | 159.7 | -4.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 407 | T | 36.3 | Very low | 36.8 | Very low | 147 Ų | 147 | 130.2 Ų | 130.2 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | 72.5 | 167.2 | 178 | 79.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 408 | S | 38 | Very low | 37 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 72.3 | 147.2 | -179.9 | -161.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 409 | S | 33.6 | Very low | 37.2 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | cis | -164.9 | 155.2 | -36.8 | -172 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 410 | C | 38.3 | Very low | 37.5 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -25.9 | 128.4 | -178.1 | -50.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 411 | G | 37.1 | Very low | 37.7 | Very low | 83 Ų | 83 | 129 Ų | 129 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | 95 | 118.8 | 121.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 412 | A | 34.7 | Very low | 38.1 | Very low | 104 Ų | 104 | 130 Ų | 130 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -168.2 | 119.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 413 | D | 40 | Very low | 38.4 | Very low | 170 Ų | 170 | 129.2 Ų | 129.2 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -83.6 | 146.5 | 164 | -72.4 | -62.1 | 0 | 0 | 0 | 110.6 | ||||
| 414 | S | 43.6 | Very low | 38.5 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -157.6 | 160.3 | 153.5 | -162.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 415 | V | 41.9 | Very low | 38.4 | Very low | 121 Ų | 121 | 127 Ų | 127 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | trans | -132.5 | 157.1 | -151.3 | -67.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 416 | M | 40.3 | Very low | 38.8 | Very low | 180 Ų | 180 | 127.6 Ų | 127.6 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | 69.2 | 104.6 | 151.5 | -67.9 | -93.3 | -78.3 | 0 | 0 | 120.5 | ||||
| 417 | A | 32.4 | Very low | 39.6 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | -172.8 | 118.2 | 129.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 418 | A | 35.6 | Very low | 39.9 | Very low | 99 Ų | 99 | 128 Ų | 128 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | cis | 78.6 | 93.2 | 46.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 419 | S | 35.1 | Very low | 40.3 | Very low | 126 Ų | 126 | 134 Ų | 134 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | trans | -160.7 | 170.4 | 150.1 | -161.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 420 | V | 43.9 | Very low | 41.1 | Very low | 134 Ų | 134 | 133 Ų | 133 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -116.7 | 151.9 | -156 | 176.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 421 | D | 35.4 | Very low | 41.9 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | trans | -10 | 143.1 | 167.2 | -165.4 | 17.9 | 0 | 0 | 0 | 120 | ||||
| 422 | S | 45.7 | Very low | 42.6 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -153.8 | 132.5 | 157.8 | -81 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 423 | T | 43 | Very low | 43.3 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 80% | 0.801 | S | S | * | * | trans | -89 | 146.2 | -156.2 | 53.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 424 | R | 42.1 | Very low | 44.1 | Very low | 249 Ų | 249 | 144 Ų | 144 | 94% | 0.94 | 80% | 0.802 | S | S | * | * | trans | 55.4 | 106.5 | 155.2 | -70.4 | -178.2 | 169.5 | -164.4 | -2.4 | 118.7 | ||||
| 425 | G | 33.7 | Very low | 44.7 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -169.6 | 84.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 426 | F | 44.7 | Very low | 45.2 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | trans | -108.7 | 138.8 | 164.4 | -80.5 | -65.5 | 0 | 0 | 0 | 108.2 | ||||
| 427 | P | 55.9 | Low | 46.1 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | -149.8 | 142.2 | 70.3 | 37.5 | -17.5 | 0 | 0 | 0 | 119.2 | |||||
| 428 | S | 43.6 | Very low | 47.2 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | trans | 80.7 | 143.7 | 138.1 | 80.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 429 | R | 45.8 | Very low | 48.4 | Very low | 242 Ų | 242 | 137 Ų | 137 | 91% | 0.913 | 74% | 0.739 | S | S | * | * | trans | 70.3 | 137.4 | 168 | -68.5 | -179.3 | 158.5 | -154.2 | -3.9 | 117.6 | ||||
| 430 | S | 49.6 | Very low | 49.7 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 57% | 0.566 | 71% | 0.706 | S | S | * | * | cis | -158.2 | 132.6 | -9.7 | 49.7 | 0 | 0 | 0 | 0 | 114 | Y432 | S430-Y432 WeakPolarHBondContact O-CD2 3.38Å; S430-Y432 PolarHBondContact O-N 3.48Å | ||
| 431 | S | 55.7 | Low | 51.4 | Low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | trans | 51 | 57.7 | 151.2 | 66.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 432 | Y | 51.3 | Low | 53.5 | Low | 223 Ų | 223 | 128.8 Ų | 128.8 | 88% | 0.875 | 69% | 0.685 | S | S | * | * | trans | -112.3 | 21 | 161.7 | -73.9 | -76.1 | 0 | 0 | 0 | 114.1 | S430 | S430-Y432 WeakPolarHBondContact O-CD2 3.38Å; S430-Y432 PolarHBondContact O-N 3.48Å | ||
| 433 | L | 50.1 | Low | 55.3 | Low | 127 Ų | 127 | 125.8 Ų | 125.8 | 67% | 0.665 | 67% | 0.668 | S | S | * | * | trans | -102.1 | 54.2 | 169.6 | -81.8 | 168.8 | 0 | 0 | 0 | 112 | T435 M436 | L433-T435 PolarHBondContact O-N 3.44Å; L433-M436 HydrophobicContact CB-CG 4.49Å; L433-M436 HydrophobicContact CD2-SD 4.49Å | ||
| 434 | R | 56.4 | Low | 57.2 | Low | 249 Ų | 249 | 124.5 Ų | 124.5 | 94% | 0.94 | 65% | 0.654 | S | S | * | * | trans | -78.5 | -4.3 | 165.8 | -160.8 | 166.3 | -177.3 | 164.8 | 0.5 | 112.4 | ||||
| 435 | T | 57 | Low | 59.1 | Low | 87 Ų | 87 | 114.8 Ų | 114.8 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | trans | -106.9 | 46.5 | 177.6 | -33.7 | 0 | 0 | 0 | 0 | 111.3 | L433 T437 | L433-T435 PolarHBondContact O-N 3.44Å; T435-T437 PolarHBondContact O-N 2.86Å | ||
| 436 | M | 51.5 | Low | 61.7 | Low | 96 Ų | 96 | 116 Ų | 116 | 47% | 0.473 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.1 | 57.6 | 167.1 | -81.1 | -60.9 | -55.3 | 0 | 0 | 111.1 | L433 L439 L440 | L433-M436 HydrophobicContact CB-CG 4.49Å; L433-M436 HydrophobicContact CD2-SD 4.49Å; M436-L439 HydrophobicContact CE-CB 4.47Å; M436-L439 HydrophobicContact SD-CD1 4.3Å; M436-L440 WeakPolarHBondContact O-CD1 3.44Å |
| 437 | T | 58.8 | Low | 63.8 | Low | 61 Ų | 61 | 110.7 Ų | 110.7 | 37% | 0.374 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.4 | -34.3 | 176.2 | 47.4 | 0 | 0 | 0 | 0 | 111.8 | T435 L439 L440 I445 | T435-T437 PolarHBondContact O-N 2.86Å; T437-L439 PolarHBondContact O-N 3.43Å; T437-L440 WeakPolarHBondContact O-CB 3.43Å; T437-L440 PolarHBondContact O-N 2.9Å; T437-L440 VanDerWaalsContact O-N 3.16Å; T437-I445 VanDerWaalsContact O-CD1 3.24Å; T437-I445 WeakPolarHBondContact O-CD1 3.49Å |
| 438 | S | 56.1 | Low | 65.2 | Low | 98 Ų | 98 | 110.6 Ų | 110.6 | 69% | 0.685 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -6.7 | 176 | 61.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 439 | L | 60.3 | Low | 67.4 | Low | 131 Ų | 131 | 110.1 Ų | 110.1 | 69% | 0.686 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 16.1 | 170.5 | -61.8 | 179.9 | 0 | 0 | 0 | 112.3 | M436 T437 | M436-L439 HydrophobicContact CE-CB 4.47Å; M436-L439 HydrophobicContact SD-CD1 4.3Å; T437-L439 PolarHBondContact O-N 3.43Å |
| 440 | L | 63.1 | Low | 69.7 | Low | 38 Ų | 38 | 105.5 Ų | 105.5 | 20% | 0.199 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -106.2 | 142.6 | 171.2 | -61 | 174.6 | 0 | 0 | 0 | 109 | M436 T437 I445 R448 | M436-L440 WeakPolarHBondContact O-CD1 3.44Å; T437-L440 WeakPolarHBondContact O-CB 3.43Å; T437-L440 PolarHBondContact O-N 2.9Å; T437-L440 VanDerWaalsContact O-N 3.16Å; L440-I445 HydrophobicContact CB-CG1 4.16Å; L440-R448 VanDerWaalsContact CD1-CZ 3.47Å |
| 441 | D | 80.1 | Confident | 71.8 | Confident | 89 Ų | 89 | 108.5 Ų | 108.5 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | trans | -44.3 | 126 | 164 | 167.1 | 9.9 | 0 | 0 | 0 | 110.1 | A443 Q444 I445 | D441-A443 PolarHBondContact O-N 3.47Å; D441-A443 VanDerWaalsContact O-N 3.08Å; D441-A443 WeakPolarHBondContact OD1-CB 3.35Å; D441-A443 PolarHBondContact OD1-N 2.9Å; D441-Q444 HydrophobicContact CB-CG 4.23Å; D441-Q444 WeakPolarHBondContact O-CA 3.44Å; D441-Q444 WeakPolarHBondContact O-CB 3.45Å; D441-Q444 PolarHBondContact O-N 2.9Å; D441-I445 PolarHBondContact O-N 3.48Å | ||
| 442 | P | 80.1 | Confident | 73.7 | Confident | 89 Ų | 89 | 110.1 Ų | 110.1 | 58% | 0.578 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -48 | -36.4 | 179 | -30.7 | 36.4 | 0 | 0 | 0 | 113.9 | Q444 I445 E446 | P442-Q444 VanDerWaalsContact C-N 3.27Å; P442-Q444 PolarHBondContact O-N 3.46Å; P442-I445 WeakPolarHBondContact O-CB 3.32Å; P442-I445 PolarHBondContact O-N 2.87Å; P442-E446 PolarHBondContact O-N 3.34Å |
| 443 | A | 82.3 | Confident | 75.8 | Confident | 57 Ų | 57 | 104.7 Ų | 104.7 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -35.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D441 E447 | D441-A443 PolarHBondContact O-N 3.47Å; D441-A443 VanDerWaalsContact O-N 3.08Å; D441-A443 WeakPolarHBondContact OD1-CB 3.35Å; D441-A443 PolarHBondContact OD1-N 2.9Å; A443-E447 WeakPolarHBondContact O-CB 3.49Å; A443-E447 PolarHBondContact O-N 3.34Å |
| 444 | Q | 83.4 | Confident | 78 | Confident | 86 Ų | 86 | 105.4 Ų | 105.4 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.3 | -24.7 | 175.7 | -62.6 | -169.4 | 20.8 | 0 | 0 | 113.5 | D441 P442 R448 | D441-Q444 HydrophobicContact CB-CG 4.23Å; D441-Q444 WeakPolarHBondContact O-CA 3.44Å; D441-Q444 WeakPolarHBondContact O-CB 3.45Å; D441-Q444 PolarHBondContact O-N 2.9Å; P442-Q444 VanDerWaalsContact C-N 3.27Å; P442-Q444 PolarHBondContact O-N 3.46Å; Q444-R448 WeakPolarHBondContact O-CD 3.3Å; Q444-R448 WeakPolarHBondContact O-CG 3.28Å; Q444-R448 PolarHBondContact O-N 3.25Å |
| 445 | I | 81.5 | Confident | 79.8 | Confident | 45 Ų | 45 | 99 Ų | 99 | 23% | 0.231 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -70.5 | -53.3 | 172.6 | -51.4 | 176.2 | 0 | 0 | 0 | 108.1 | T437 L440 D441 P442 E447 R448 E449 | T437-I445 VanDerWaalsContact O-CD1 3.24Å; T437-I445 WeakPolarHBondContact O-CD1 3.49Å; L440-I445 HydrophobicContact CB-CG1 4.16Å; D441-I445 PolarHBondContact O-N 3.48Å; P442-I445 WeakPolarHBondContact O-CB 3.32Å; P442-I445 PolarHBondContact O-N 2.87Å; I445-E447 VanDerWaalsContact C-N 3.28Å; I445-E447 PolarHBondContact O-N 2.88Å; I445-R448 PolarHBondContact O-N 3.37Å; I445-R448 VanDerWaalsContact O-N 3.13Å; I445-E449 WeakPolarHBondContact O-CG 3.32Å; I445-E449 PolarHBondContact O-N 2.85Å |
| 446 | E | 88.1 | Confident | 81.7 | Confident | 102 Ų | 102 | 98.9 Ų | 98.9 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -54.9 | -39.8 | 174.7 | -79.7 | -167.6 | -137.8 | 0 | 0 | 113 | P442 E449 R450 | P442-E446 PolarHBondContact O-N 3.34Å; E446-E449 PolarHBondContact O-N 3.46Å; E446-R450 WeakPolarHBondContact O-CB 3.33Å; E446-R450 WeakPolarHBondContact O-CG 3.34Å; E446-R450 PolarHBondContact O-N 2.97Å; E446-R450 IonicContact OE2-CZ 2.73Å; E446-R450 IonicContact OE2-NH1 3.56Å; E446-R450 PolarHBondContact OE2-NH1 2.86Å |
| 447 | E | 88.4 | Confident | 83.8 | Confident | 93 Ų | 93 | 100.7 Ų | 100.7 | 44% | 0.435 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.4 | -38.6 | -179.7 | -147.8 | -112.5 | 135.4 | 0 | 0 | 111.5 | A443 I445 R451 | A443-E447 WeakPolarHBondContact O-CB 3.49Å; A443-E447 PolarHBondContact O-N 3.34Å; I445-E447 VanDerWaalsContact C-N 3.28Å; I445-E447 PolarHBondContact O-N 2.88Å; E447-R451 VanDerWaalsContact O-CG 3.26Å; E447-R451 WeakPolarHBondContact O-CG 3.29Å; E447-R451 PolarHBondContact O-N 3.31Å; E447-R451 IonicContact OE1-CZ 2.94Å; E447-R451 IonicContact OE1-NE 2.67Å; E447-R451 PolarHBondContact OE1-NE 3.03Å; E447-R451 IonicContact OE1-NH2 3.31Å; E447-R451 PolarHBondContact OE1-NH2 3Å; E447-R451 IonicContact OE2-CZ 3.98Å; E447-R451 IonicContact OE2-NE 3.2Å; E447-R451 IonicContact OE2-NH2 3.91Å; E447-R451 PolarHBondContact OE2-NH2 3.01Å |
| 448 | R | 84.9 | Confident | 85.6 | Confident | 113 Ų | 113 | 103.8 Ų | 103.8 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.4 | -34.8 | 173.5 | -69 | 170.8 | -163.5 | -164.8 | 9.7 | 111.9 | L440 Q444 I445 R451 R452 | L440-R448 VanDerWaalsContact CD1-CZ 3.47Å; Q444-R448 WeakPolarHBondContact O-CD 3.3Å; Q444-R448 WeakPolarHBondContact O-CG 3.28Å; Q444-R448 PolarHBondContact O-N 3.25Å; I445-R448 PolarHBondContact O-N 3.37Å; I445-R448 VanDerWaalsContact O-N 3.13Å; R448-R451 WeakPolarHBondContact O-CB 3.26Å; R448-R451 PolarHBondContact O-N 2.95Å; R448-R452 WeakPolarHBondContact O-CG 3.34Å; R448-R452 PolarHBondContact O-N 2.85Å |
| 449 | E | 91.3 | Very high | 87.5 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 43% | 0.425 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.3 | -38.5 | 176.1 | -71.1 | -177.8 | 171.2 | 0 | 0 | 111.8 | I445 E446 R451 R452 L453 | I445-E449 WeakPolarHBondContact O-CG 3.32Å; I445-E449 PolarHBondContact O-N 2.85Å; E446-E449 PolarHBondContact O-N 3.46Å; E449-R451 VanDerWaalsContact C-N 3.29Å; E449-R451 PolarHBondContact O-N 3.44Å; E449-R452 PolarHBondContact O-N 2.97Å; E449-R452 VanDerWaalsContact O-N 3.15Å; E449-L453 WeakPolarHBondContact O-CB 3.35Å; E449-L453 VanDerWaalsContact O-CG 3.31Å; E449-L453 WeakPolarHBondContact O-CG 3.45Å; E449-L453 PolarHBondContact O-N 2.99Å |
| 450 | R | 94 | Very high | 89.2 | Confident | 144 Ų | 144 | 107.1 Ų | 107.1 | 54% | 0.543 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 166.8 | -79.7 | -176.9 | 166.9 | 95.4 | -0.3 | 112.2 | E446 K454 | E446-R450 WeakPolarHBondContact O-CB 3.33Å; E446-R450 WeakPolarHBondContact O-CG 3.34Å; E446-R450 PolarHBondContact O-N 2.97Å; E446-R450 IonicContact OE2-CZ 2.73Å; E446-R450 IonicContact OE2-NH1 3.56Å; E446-R450 PolarHBondContact OE2-NH1 2.86Å; R450-K454 WeakPolarHBondContact O-CB 3.48Å; R450-K454 VanDerWaalsContact O-CG 3.3Å; R450-K454 WeakPolarHBondContact O-CG 3.4Å; R450-K454 PolarHBondContact O-N 2.78Å |
| 451 | R | 93.5 | Very high | 90.7 | Very high | 145 Ų | 145 | 107.9 Ų | 107.9 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 173.3 | -69.7 | 169.2 | -171.9 | -157 | 10.7 | 112.2 | E447 R448 E449 Q455 | E447-R451 VanDerWaalsContact O-CG 3.26Å; E447-R451 WeakPolarHBondContact O-CG 3.29Å; E447-R451 PolarHBondContact O-N 3.31Å; E447-R451 IonicContact OE1-CZ 2.94Å; E447-R451 IonicContact OE1-NE 2.67Å; E447-R451 PolarHBondContact OE1-NE 3.03Å; E447-R451 IonicContact OE1-NH2 3.31Å; E447-R451 PolarHBondContact OE1-NH2 3Å; E447-R451 IonicContact OE2-CZ 3.98Å; E447-R451 IonicContact OE2-NE 3.2Å; E447-R451 IonicContact OE2-NH2 3.91Å; E447-R451 PolarHBondContact OE2-NH2 3.01Å; R448-R451 WeakPolarHBondContact O-CB 3.26Å; R448-R451 PolarHBondContact O-N 2.95Å; E449-R451 VanDerWaalsContact C-N 3.29Å; E449-R451 PolarHBondContact O-N 3.44Å; R451-Q455 WeakPolarHBondContact O-CG 3.44Å; R451-Q455 PolarHBondContact O-N 3.36Å |
| 452 | R | 95 | Very high | 91.4 | Very high | 148 Ų | 148 | 108 Ų | 108 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -45.3 | 174.2 | -73.1 | 170.7 | 173.5 | 170.6 | -3.3 | 112.6 | R448 E449 K454 Q455 L456 | R448-R452 WeakPolarHBondContact O-CG 3.34Å; R448-R452 PolarHBondContact O-N 2.85Å; E449-R452 PolarHBondContact O-N 2.97Å; E449-R452 VanDerWaalsContact O-N 3.15Å; R452-K454 PolarHBondContact O-N 3.22Å; R452-Q455 WeakPolarHBondContact O-CB 3.5Å; R452-Q455 PolarHBondContact O-N 2.98Å; R452-Q455 VanDerWaalsContact O-N 3.1Å; R452-L456 WeakPolarHBondContact O-CG 3.42Å; R452-L456 PolarHBondContact O-N 3.17Å |
| 453 | L | 95.5 | Very high | 92 | Very high | 110 Ų | 110 | 110 Ų | 110 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 178.6 | -73.2 | 169.7 | 0 | 0 | 0 | 110.9 | E449 Q455 L456 E457 | E449-L453 WeakPolarHBondContact O-CB 3.35Å; E449-L453 VanDerWaalsContact O-CG 3.31Å; E449-L453 WeakPolarHBondContact O-CG 3.45Å; E449-L453 PolarHBondContact O-N 2.99Å; L453-Q455 VanDerWaalsContact C-N 3.29Å; L453-Q455 PolarHBondContact O-N 2.89Å; L453-L456 PolarHBondContact O-N 3.45Å; L453-E457 VanDerWaalsContact O-CB 3.26Å; L453-E457 WeakPolarHBondContact O-CB 3.14Å; L453-E457 PolarHBondContact O-N 3.5Å |
| 454 | K | 96.4 | Very high | 92.7 | Very high | 141 Ų | 141 | 109.8 Ų | 109.8 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.2 | -33.7 | 172.6 | -75.5 | 176.6 | 177.8 | -175.7 | 0 | 113.4 | R450 R452 Q458 | R450-K454 WeakPolarHBondContact O-CB 3.48Å; R450-K454 VanDerWaalsContact O-CG 3.3Å; R450-K454 WeakPolarHBondContact O-CG 3.4Å; R450-K454 PolarHBondContact O-N 2.78Å; R452-K454 PolarHBondContact O-N 3.22Å; K454-Q458 VanDerWaalsContact O-CB 3.31Å; K454-Q458 WeakPolarHBondContact O-CB 3.31Å; K454-Q458 PolarHBondContact O-N 2.81Å |
| 455 | Q | 95.3 | Very high | 93.2 | Very high | 115 Ų | 115 | 112 Ų | 112 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71 | -39.9 | 174 | -72.9 | 172.9 | -18.9 | 0 | 0 | 112.2 | R451 R452 L453 Q458 Q459 | R451-Q455 WeakPolarHBondContact O-CG 3.44Å; R451-Q455 PolarHBondContact O-N 3.36Å; R452-Q455 WeakPolarHBondContact O-CB 3.5Å; R452-Q455 PolarHBondContact O-N 2.98Å; R452-Q455 VanDerWaalsContact O-N 3.1Å; L453-Q455 VanDerWaalsContact C-N 3.29Å; L453-Q455 PolarHBondContact O-N 2.89Å; Q455-Q458 PolarHBondContact O-N 3.4Å; Q455-Q459 VanDerWaalsContact O-CG 3.27Å; Q455-Q459 WeakPolarHBondContact O-CG 3.47Å; Q455-Q459 PolarHBondContact O-N 3.23Å |
| 456 | L | 96.2 | Very high | 93.8 | Very high | 84 Ų | 84 | 116.1 Ų | 116.1 | 44% | 0.44 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 174.5 | -68.2 | 170.6 | 0 | 0 | 0 | 112.1 | R452 L453 Q459 R460 | R452-L456 WeakPolarHBondContact O-CG 3.42Å; R452-L456 PolarHBondContact O-N 3.17Å; L453-L456 PolarHBondContact O-N 3.45Å; L456-Q459 PolarHBondContact O-N 2.9Å; L456-R460 WeakPolarHBondContact O-CB 3.29Å; L456-R460 VanDerWaalsContact O-CG 3.3Å; L456-R460 WeakPolarHBondContact O-CG 3.25Å; L456-R460 PolarHBondContact O-N 2.92Å |
| 457 | E | 94.9 | Very high | 94.1 | Very high | 134 Ų | 134 | 115.7 Ų | 115.7 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 172.3 | -178.3 | 176.9 | -145.9 | 0 | 0 | 111.2 | L453 Q459 R460 A461 | L453-E457 VanDerWaalsContact O-CB 3.26Å; L453-E457 WeakPolarHBondContact O-CB 3.14Å; L453-E457 PolarHBondContact O-N 3.5Å; E457-Q459 PolarHBondContact O-N 3.4Å; E457-R460 PolarHBondContact O-N 3Å; E457-A461 WeakPolarHBondContact O-CB 3.34Å; E457-A461 PolarHBondContact O-N 2.85Å |
| 458 | Q | 96.7 | Very high | 94.2 | Very high | 126 Ų | 126 | 116.7 Ų | 116.7 | 59% | 0.589 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.1 | -41.4 | 173.1 | -175 | -179.2 | 5.8 | 0 | 0 | 112.1 | K454 Q455 A461 I462 | K454-Q458 VanDerWaalsContact O-CB 3.31Å; K454-Q458 WeakPolarHBondContact O-CB 3.31Å; K454-Q458 PolarHBondContact O-N 2.81Å; Q455-Q458 PolarHBondContact O-N 3.4Å; Q458-A461 PolarHBondContact O-N 2.77Å; Q458-I462 HydrophobicContact CG-CD1 4.25Å; Q458-I462 WeakPolarHBondContact O-CD1 3.45Å; Q458-I462 WeakPolarHBondContact O-CG1 3.37Å; Q458-I462 PolarHBondContact O-N 2.76Å; Q458-I462 VanDerWaalsContact O-N 3.1Å |
| 459 | Q | 95.5 | Very high | 94.4 | Very high | 119 Ų | 119 | 119.3 Ų | 119.3 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -47.3 | 175.3 | -74.1 | 168.5 | 13.7 | 0 | 0 | 111.4 | Q455 L456 E457 A461 I462 E463 | Q455-Q459 VanDerWaalsContact O-CG 3.27Å; Q455-Q459 WeakPolarHBondContact O-CG 3.47Å; Q455-Q459 PolarHBondContact O-N 3.23Å; L456-Q459 PolarHBondContact O-N 2.9Å; E457-Q459 PolarHBondContact O-N 3.4Å; Q459-A461 VanDerWaalsContact C-N 3.31Å; Q459-A461 PolarHBondContact O-N 2.83Å; Q459-I462 PolarHBondContact O-N 3.28Å; Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 PolarHBondContact O-N 3.5Å |
| 460 | R | 96.4 | Very high | 94.5 | Very high | 180 Ų | 180 | 122 Ų | 122 | 68% | 0.679 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.9 | -36.6 | 175.1 | -74.4 | 172.5 | 177.8 | -177.8 | -0.8 | 112.8 | L456 E457 E463 A464 | L456-R460 WeakPolarHBondContact O-CB 3.29Å; L456-R460 VanDerWaalsContact O-CG 3.3Å; L456-R460 WeakPolarHBondContact O-CG 3.25Å; L456-R460 PolarHBondContact O-N 2.92Å; E457-R460 PolarHBondContact O-N 3Å; R460-E463 PolarHBondContact O-N 2.58Å; R460-A464 WeakPolarHBondContact O-CB 3.19Å; R460-A464 PolarHBondContact O-N 3.15Å |
| 461 | A | 94.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 121.9 Ų | 121.9 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.7 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E457 Q458 Q459 Q465 | E457-A461 WeakPolarHBondContact O-CB 3.34Å; E457-A461 PolarHBondContact O-N 2.85Å; Q458-A461 PolarHBondContact O-N 2.77Å; Q459-A461 VanDerWaalsContact C-N 3.31Å; Q459-A461 PolarHBondContact O-N 2.83Å; A461-Q465 WeakPolarHBondContact O-CG 3.5Å; A461-Q465 PolarHBondContact O-N 3.07Å |
| 462 | I | 95.1 | Very high | 94.4 | Very high | 90 Ų | 90 | 119.8 Ų | 119.8 | 46% | 0.462 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.3 | -44.9 | 174.1 | -66.7 | 162.8 | 0 | 0 | 0 | 110.5 | Q458 Q459 Q465 M466 | Q458-I462 HydrophobicContact CG-CD1 4.25Å; Q458-I462 WeakPolarHBondContact O-CD1 3.45Å; Q458-I462 WeakPolarHBondContact O-CG1 3.37Å; Q458-I462 PolarHBondContact O-N 2.76Å; Q458-I462 VanDerWaalsContact O-N 3.1Å; Q459-I462 PolarHBondContact O-N 3.28Å; I462-Q465 PolarHBondContact O-N 3.38Å; I462-M466 WeakPolarHBondContact O-CG 3.32Å; I462-M466 PolarHBondContact O-N 3.33Å |
| 463 | E | 93.8 | Very high | 94.2 | Very high | 131 Ų | 131 | 118.3 Ų | 118.3 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.4 | -48.4 | 177.1 | -175.5 | 168.7 | -145.1 | 0 | 0 | 111.5 | Q459 R460 Q465 M466 E467 | Q459-E463 WeakPolarHBondContact O-CB 3.4Å; Q459-E463 PolarHBondContact O-N 3.5Å; R460-E463 PolarHBondContact O-N 2.58Å; E463-Q465 PolarHBondContact O-N 2.82Å; E463-M466 PolarHBondContact O-N 2.97Å; E463-M466 VanDerWaalsContact O-N 3.12Å; E463-E467 PolarHBondContact O-N 2.83Å |
| 464 | A | 95.4 | Very high | 94.2 | Very high | 54 Ų | 54 | 117 Ų | 117 | 45% | 0.446 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R460 M466 E467 E468 | R460-A464 WeakPolarHBondContact O-CB 3.19Å; R460-A464 PolarHBondContact O-N 3.15Å; A464-M466 VanDerWaalsContact C-N 3.34Å; A464-M466 PolarHBondContact O-N 3.44Å; A464-E467 PolarHBondContact O-N 2.94Å; A464-E468 WeakPolarHBondContact O-CB 3.28Å; A464-E468 PolarHBondContact O-N 2.87Å |
| 465 | Q | 95.3 | Very high | 94.2 | Very high | 132 Ų | 132 | 116 Ų | 116 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.8 | -36.5 | 173.9 | -79.9 | -169 | -15.5 | 0 | 0 | 112.8 | A461 I462 E463 R469 | A461-Q465 WeakPolarHBondContact O-CG 3.5Å; A461-Q465 PolarHBondContact O-N 3.07Å; I462-Q465 PolarHBondContact O-N 3.38Å; E463-Q465 PolarHBondContact O-N 2.82Å; Q465-R469 VanDerWaalsContact O-CB 3.24Å; Q465-R469 WeakPolarHBondContact O-CB 3.41Å; Q465-R469 PolarHBondContact O-N 3.35Å; Q465-R469 VanDerWaalsContact O-N 3.13Å |
| 466 | M | 92.9 | Very high | 94 | Very high | 132 Ų | 132 | 117.1 Ų | 117.1 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.9 | -36.9 | 175 | -69.3 | -144.6 | -60.8 | 0 | 0 | 112.1 | I462 E463 A464 R470 | I462-M466 WeakPolarHBondContact O-CG 3.32Å; I462-M466 PolarHBondContact O-N 3.33Å; E463-M466 PolarHBondContact O-N 2.97Å; E463-M466 VanDerWaalsContact O-N 3.12Å; A464-M466 VanDerWaalsContact C-N 3.34Å; A464-M466 PolarHBondContact O-N 3.44Å; M466-R470 VanDerWaalsContact O-CB 3.31Å; M466-R470 WeakPolarHBondContact O-CB 3.42Å; M466-R470 PolarHBondContact O-N 3.38Å |
| 467 | E | 94.3 | Very high | 93.9 | Very high | 92 Ų | 92 | 119.3 Ų | 119.3 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.4 | -45.4 | 176.6 | -154.8 | -156.8 | 168.6 | 0 | 0 | 111.9 | E463 A464 R469 R470 R471 | E463-E467 PolarHBondContact O-N 2.83Å; A464-E467 PolarHBondContact O-N 2.94Å; E467-R469 PolarHBondContact O-N 2.92Å; E467-R470 CarbonylContact O-C 3.56Å; E467-R470 WeakPolarHBondContact O-CA 3.28Å; E467-R470 WeakPolarHBondContact O-CB 3.43Å; E467-R470 PolarHBondContact O-N 2.83Å; E467-R471 VanDerWaalsContact CD-NH2 3.29Å; E467-R471 WeakPolarHBondContact O-CG 3.18Å; E467-R471 PolarHBondContact O-N 2.91Å; E467-R471 IonicContact OE1-CZ 3.84Å; E467-R471 IonicContact OE1-NE 2.58Å; E467-R471 PolarHBondContact OE1-NE 3.34Å; E467-R471 IonicContact OE1-NH2 2.74Å; E467-R471 PolarHBondContact OE1-NH2 3.08Å; E467-R471 IonicContact OE2-CZ 3.99Å; E467-R471 IonicContact OE2-NE 3.58Å; E467-R471 IonicContact OE2-NH2 2.83Å; E467-R471 PolarHBondContact OE2-NH2 3.17Å |
| 468 | E | 92.5 | Very high | 93.9 | Very high | 115 Ų | 115 | 115.2 Ų | 115.2 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.2 | -49.1 | 175.5 | -167.9 | -163.3 | 159.3 | 0 | 0 | 110.4 | A464 R470 R471 Q472 | A464-E468 WeakPolarHBondContact O-CB 3.28Å; A464-E468 PolarHBondContact O-N 2.87Å; E468-R470 PolarHBondContact O-N 2.87Å; E468-R471 PolarHBondContact O-N 3.39Å; E468-Q472 VanDerWaalsContact O-CG 3.3Å; E468-Q472 WeakPolarHBondContact O-CG 3.25Å; E468-Q472 PolarHBondContact O-N 2.88Å; E468-Q472 PolarHBondContact OE1-NE2 2.79Å |
| 469 | R | 87.8 | Confident | 93.5 | Very high | 168 Ų | 168 | 114.7 Ų | 114.7 | 63% | 0.634 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.7 | -23.8 | 176.2 | -167.8 | 176.3 | -179.2 | -167.2 | 0.8 | 112.5 | Q465 E467 R473 | Q465-R469 VanDerWaalsContact O-CB 3.24Å; Q465-R469 WeakPolarHBondContact O-CB 3.41Å; Q465-R469 PolarHBondContact O-N 3.35Å; Q465-R469 VanDerWaalsContact O-N 3.13Å; E467-R469 PolarHBondContact O-N 2.92Å; R469-R473 PolarHBondContact O-NE 3.36Å; R469-R473 PolarHBondContact O-NH2 3.19Å; R469-R473 VanDerWaalsContact O-NH2 3.17Å |
| 470 | R | 94.1 | Very high | 93.4 | Very high | 148 Ų | 148 | 117 Ų | 117 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74 | -52.2 | 171.3 | 178.1 | -178.9 | 169 | -173.8 | -8.5 | 110.6 | M466 E467 E468 Q472 R473 E474 | M466-R470 VanDerWaalsContact O-CB 3.31Å; M466-R470 WeakPolarHBondContact O-CB 3.42Å; M466-R470 PolarHBondContact O-N 3.38Å; E467-R470 CarbonylContact O-C 3.56Å; E467-R470 WeakPolarHBondContact O-CA 3.28Å; E467-R470 WeakPolarHBondContact O-CB 3.43Å; E467-R470 PolarHBondContact O-N 2.83Å; E468-R470 PolarHBondContact O-N 2.87Å; R470-Q472 PolarHBondContact O-N 3.44Å; R470-R473 WeakPolarHBondContact O-CB 3.21Å; R470-R473 PolarHBondContact O-N 2.65Å; R470-E474 HydrophobicContact CG-CG 4.42Å; R470-E474 IonicContact CZ-OE1 3.37Å; R470-E474 IonicContact NE-OE1 3.63Å; R470-E474 PolarHBondContact NE-OE1 2.88Å; R470-E474 IonicContact NE-OE2 2.88Å; R470-E474 IonicContact NH2-OE1 2.64Å; R470-E474 PolarHBondContact NH2-OE1 3.27Å; R470-E474 PolarHBondContact O-N 2.97Å |
| 471 | R | 96.6 | Very high | 93 | Very high | 141 Ų | 141 | 114.2 Ų | 114.2 | 53% | 0.532 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -57.3 | -37.3 | 176.9 | -66.3 | 179.3 | -173.4 | -169.1 | 5.2 | 112 | E467 E468 R473 E474 L475 | E467-R471 VanDerWaalsContact CD-NH2 3.29Å; E467-R471 WeakPolarHBondContact O-CG 3.18Å; E467-R471 PolarHBondContact O-N 2.91Å; E467-R471 IonicContact OE1-CZ 3.84Å; E467-R471 IonicContact OE1-NE 2.58Å; E467-R471 PolarHBondContact OE1-NE 3.34Å; E467-R471 IonicContact OE1-NH2 2.74Å; E467-R471 PolarHBondContact OE1-NH2 3.08Å; E467-R471 IonicContact OE2-CZ 3.99Å; E467-R471 IonicContact OE2-NE 3.58Å; E467-R471 IonicContact OE2-NH2 2.83Å; E467-R471 PolarHBondContact OE2-NH2 3.17Å; E468-R471 PolarHBondContact O-N 3.39Å; R471-R473 PolarHBondContact O-N 3.31Å; R471-E474 PolarHBondContact O-N 2.97Å; R471-L475 WeakPolarHBondContact O-CB 3.42Å; R471-L475 VanDerWaalsContact O-CG 3.28Å; R471-L475 WeakPolarHBondContact O-CG 3.36Å; R471-L475 PolarHBondContact O-N 3.21Å |
| 472 | Q | 88.3 | Confident | 92.9 | Very high | 101 Ų | 101 | 119.1 Ų | 119.1 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 173.1 | -74 | 171.5 | 8.3 | 0 | 0 | 112.5 | E468 R470 L475 E476 | E468-Q472 VanDerWaalsContact O-CG 3.3Å; E468-Q472 WeakPolarHBondContact O-CG 3.25Å; E468-Q472 PolarHBondContact O-N 2.88Å; E468-Q472 PolarHBondContact OE1-NE2 2.79Å; R470-Q472 PolarHBondContact O-N 3.44Å; Q472-L475 PolarHBondContact O-N 2.88Å; Q472-E476 WeakPolarHBondContact O-CB 3.49Å; Q472-E476 PolarHBondContact O-N 2.95Å |
| 473 | R | 91.3 | Very high | 92.7 | Very high | 116 Ų | 116 | 121.3 Ų | 121.3 | 44% | 0.438 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -70.4 | -41.4 | 175.8 | -77.4 | 168.7 | -72.8 | -175.4 | 2.7 | 112.3 | R469 R470 R471 L475 E476 E477 | R469-R473 PolarHBondContact O-NE 3.36Å; R469-R473 PolarHBondContact O-NH2 3.19Å; R469-R473 VanDerWaalsContact O-NH2 3.17Å; R470-R473 WeakPolarHBondContact O-CB 3.21Å; R470-R473 PolarHBondContact O-N 2.65Å; R471-R473 PolarHBondContact O-N 3.31Å; R473-L475 PolarHBondContact O-N 2.84Å; R473-E476 PolarHBondContact O-N 3.36Å; R473-E477 WeakPolarHBondContact O-CB 3.1Å; R473-E477 WeakPolarHBondContact O-CG 3.33Å; R473-E477 PolarHBondContact O-N 2.99Å |
| 474 | E | 95.4 | Very high | 92.5 | Very high | 84 Ų | 84 | 120.4 Ų | 120.4 | 39% | 0.393 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -32.6 | 176.9 | -69.4 | 170 | 159.7 | 0 | 0 | 111.4 | R470 R471 A478 | R470-E474 HydrophobicContact CG-CG 4.42Å; R470-E474 IonicContact CZ-OE1 3.37Å; R470-E474 IonicContact NE-OE1 3.63Å; R470-E474 PolarHBondContact NE-OE1 2.88Å; R470-E474 IonicContact NE-OE2 2.88Å; R470-E474 IonicContact NH2-OE1 2.64Å; R470-E474 PolarHBondContact NH2-OE1 3.27Å; R470-E474 PolarHBondContact O-N 2.97Å; R471-E474 PolarHBondContact O-N 2.97Å; E474-A478 WeakPolarHBondContact O-CB 3.45Å; E474-A478 PolarHBondContact O-N 3.47Å |
| 475 | L | 95.3 | Very high | 92.3 | Very high | 119 Ų | 119 | 121.5 Ų | 121.5 | 62% | 0.623 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.6 | -40.4 | 171.1 | -71.5 | 169.4 | 0 | 0 | 0 | 113.1 | R471 Q472 R473 A478 M479 | R471-L475 WeakPolarHBondContact O-CB 3.42Å; R471-L475 VanDerWaalsContact O-CG 3.28Å; R471-L475 WeakPolarHBondContact O-CG 3.36Å; R471-L475 PolarHBondContact O-N 3.21Å; Q472-L475 PolarHBondContact O-N 2.88Å; R473-L475 PolarHBondContact O-N 2.84Å; L475-A478 PolarHBondContact O-N 2.83Å; L475-M479 WeakPolarHBondContact O-CB 3.46Å; L475-M479 WeakPolarHBondContact O-CG 3.33Å; L475-M479 PolarHBondContact O-N 3.24Å |
| 476 | E | 92.1 | Very high | 92.1 | Very high | 138 Ų | 138 | 120.8 Ų | 120.8 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | 174.8 | -173.8 | 178.8 | 175 | 0 | 0 | 111.2 | Q472 R473 M479 R480 | Q472-E476 WeakPolarHBondContact O-CB 3.49Å; Q472-E476 PolarHBondContact O-N 2.95Å; R473-E476 PolarHBondContact O-N 3.36Å; E476-M479 PolarHBondContact O-N 3.35Å; E476-R480 WeakPolarHBondContact O-CB 3.24Å; E476-R480 PolarHBondContact O-N 3.39Å |
| 477 | E | 93.9 | Very high | 91.9 | Very high | 130 Ų | 130 | 120.7 Ų | 120.7 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 175 | -71.4 | 172.3 | -168.1 | 0 | 0 | 111.9 | R473 K481 | R473-E477 WeakPolarHBondContact O-CB 3.1Å; R473-E477 WeakPolarHBondContact O-CG 3.33Å; R473-E477 PolarHBondContact O-N 2.99Å; E477-K481 VanDerWaalsContact O-CB 3.28Å; E477-K481 WeakPolarHBondContact O-CB 3.3Å; E477-K481 PolarHBondContact O-N 2.84Å |
| 478 | A | 94.9 | Very high | 91.9 | Very high | 48 Ų | 48 | 122.9 Ų | 122.9 | 40% | 0.397 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.4 | -35.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E474 L475 R482 | E474-A478 WeakPolarHBondContact O-CB 3.45Å; E474-A478 PolarHBondContact O-N 3.47Å; L475-A478 PolarHBondContact O-N 2.83Å; A478-R482 PolarHBondContact O-N 3.23Å |
| 479 | M | 87.5 | Confident | 92 | Very high | 116 Ų | 116 | 125.8 Ų | 125.8 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.7 | -46.9 | 173.4 | -76 | -59.7 | -58.6 | 0 | 0 | 111.2 | L475 E476 K481 R482 E483 | L475-M479 WeakPolarHBondContact O-CB 3.46Å; L475-M479 WeakPolarHBondContact O-CG 3.33Å; L475-M479 PolarHBondContact O-N 3.24Å; E476-M479 PolarHBondContact O-N 3.35Å; M479-K481 VanDerWaalsContact C-N 3.29Å; M479-K481 PolarHBondContact O-N 3.21Å; M479-R482 WeakPolarHBondContact O-CB 3.42Å; M479-R482 PolarHBondContact O-N 2.88Å; M479-R482 VanDerWaalsContact O-N 3.16Å; M479-E483 PolarHBondContact O-N 2.84Å; M479-E483 VanDerWaalsContact O-N 3.1Å |
| 480 | R | 93.7 | Very high | 92.4 | Very high | 167 Ų | 167 | 126.8 Ų | 126.8 | 63% | 0.63 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.3 | -41.1 | 174.3 | 179.5 | -179.3 | 165.8 | -171.8 | -5.3 | 112 | E476 R482 E483 E484 | E476-R480 WeakPolarHBondContact O-CB 3.24Å; E476-R480 PolarHBondContact O-N 3.39Å; R480-R482 VanDerWaalsContact C-N 3.3Å; R480-R482 PolarHBondContact O-N 3.15Å; R480-E483 WeakPolarHBondContact O-CB 3.29Å; R480-E483 PolarHBondContact O-N 3.36Å; R480-E484 WeakPolarHBondContact O-CB 3.3Å; R480-E484 PolarHBondContact O-N 3.06Å |
| 481 | K | 88.4 | Confident | 92.4 | Very high | 121 Ų | 121 | 122 Ų | 122 | 53% | 0.526 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.2 | -33.3 | 178.4 | -171.5 | 173.8 | -172.2 | -67.5 | 0 | 112.7 | E477 M479 E485 | E477-K481 VanDerWaalsContact O-CB 3.28Å; E477-K481 WeakPolarHBondContact O-CB 3.3Å; E477-K481 PolarHBondContact O-N 2.84Å; M479-K481 VanDerWaalsContact C-N 3.29Å; M479-K481 PolarHBondContact O-N 3.21Å; K481-E485 IonicContact NZ-OE1 2.9Å; K481-E485 PolarHBondContact NZ-OE1 3.26Å; K481-E485 WeakPolarHBondContact O-CB 3.41Å; K481-E485 VanDerWaalsContact O-CG 3.28Å; K481-E485 WeakPolarHBondContact O-CG 3.38Å; K481-E485 PolarHBondContact O-N 3.15Å |
| 482 | R | 92.5 | Very high | 92.3 | Very high | 159 Ų | 159 | 117.8 Ų | 117.8 | 60% | 0.6 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.3 | -40.8 | 172.5 | -73.8 | 174.4 | 173.5 | 172.4 | -2.7 | 112.3 | A478 M479 R480 E484 E485 E486 | A478-R482 PolarHBondContact O-N 3.23Å; M479-R482 WeakPolarHBondContact O-CB 3.42Å; M479-R482 PolarHBondContact O-N 2.88Å; M479-R482 VanDerWaalsContact O-N 3.16Å; R480-R482 VanDerWaalsContact C-N 3.3Å; R480-R482 PolarHBondContact O-N 3.15Å; R482-E484 VanDerWaalsContact C-N 3.32Å; R482-E485 PolarHBondContact O-N 3.49Å; R482-E486 WeakPolarHBondContact O-CG 3.31Å; R482-E486 PolarHBondContact O-N 2.84Å |
| 483 | E | 90.1 | Very high | 92.6 | Very high | 136 Ų | 136 | 117.8 Ų | 117.8 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 173.8 | -172.2 | 172.5 | -154.9 | 0 | 0 | 111 | M479 R480 E486 E487 | M479-E483 PolarHBondContact O-N 2.84Å; M479-E483 VanDerWaalsContact O-N 3.1Å; R480-E483 WeakPolarHBondContact O-CB 3.29Å; R480-E483 PolarHBondContact O-N 3.36Å; E483-E486 PolarHBondContact O-N 3.49Å; E483-E487 WeakPolarHBondContact O-CB 3Å; E483-E487 PolarHBondContact O-N 3.49Å |
| 484 | E | 89.5 | Confident | 92.7 | Very high | 112 Ų | 112 | 117.8 Ų | 117.8 | 52% | 0.523 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 175.1 | -167.6 | 166.2 | -179.6 | 0 | 0 | 112.4 | R480 R482 E487 E488 | R480-E484 WeakPolarHBondContact O-CB 3.3Å; R480-E484 PolarHBondContact O-N 3.06Å; R482-E484 VanDerWaalsContact C-N 3.32Å; E484-E487 PolarHBondContact O-N 3.03Å; E484-E488 VanDerWaalsContact O-CB 3.3Å; E484-E488 WeakPolarHBondContact O-CB 3.4Å; E484-E488 PolarHBondContact O-N 3.15Å |
| 485 | E | 91.3 | Very high | 92.7 | Very high | 76 Ų | 76 | 122.1 Ų | 122.1 | 36% | 0.355 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.9 | -31.4 | 172.2 | -77 | 169.2 | -158.7 | 0 | 0 | 113.2 | K481 R482 R489 | K481-E485 IonicContact NZ-OE1 2.9Å; K481-E485 PolarHBondContact NZ-OE1 3.26Å; K481-E485 WeakPolarHBondContact O-CB 3.41Å; K481-E485 VanDerWaalsContact O-CG 3.28Å; K481-E485 WeakPolarHBondContact O-CG 3.38Å; K481-E485 PolarHBondContact O-N 3.15Å; R482-E485 PolarHBondContact O-N 3.49Å; E485-R489 WeakPolarHBondContact O-CG 3.4Å; E485-R489 PolarHBondContact O-N 3.41Å |
| 486 | E | 92.1 | Very high | 92.7 | Very high | 118 Ų | 118 | 120 Ų | 120 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -78.2 | -36.9 | 174.3 | -75.5 | -175.2 | -155.4 | 0 | 0 | 112.4 | R482 E483 R489 R490 | R482-E486 WeakPolarHBondContact O-CG 3.31Å; R482-E486 PolarHBondContact O-N 2.84Å; E483-E486 PolarHBondContact O-N 3.49Å; E486-R489 PolarHBondContact O-N 2.82Å; E486-R490 WeakPolarHBondContact O-CG 3.16Å; E486-R490 PolarHBondContact O-N 2.88Å; E486-R490 VanDerWaalsContact O-N 3.12Å |
| 487 | E | 88.9 | Confident | 92.9 | Very high | 129 Ų | 129 | 119.6 Ų | 119.6 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.6 | -44.5 | 172 | -172.7 | 170.5 | -160.9 | 0 | 0 | 111.1 | E483 E484 R489 R490 V491 | E483-E487 WeakPolarHBondContact O-CB 3Å; E483-E487 PolarHBondContact O-N 3.49Å; E484-E487 PolarHBondContact O-N 3.03Å; E487-R489 VanDerWaalsContact C-N 3.28Å; E487-R489 PolarHBondContact O-N 3.15Å; E487-R490 WeakPolarHBondContact O-CB 3.29Å; E487-R490 PolarHBondContact O-N 3.19Å; E487-V491 HydrophobicContact CG-CG2 4.46Å; E487-V491 WeakPolarHBondContact O-CG2 3.35Å; E487-V491 PolarHBondContact O-N 3.36Å |
| 488 | E | 93.3 | Very high | 93 | Very high | 139 Ų | 139 | 117.9 Ų | 117.9 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -57 | -41.3 | 174.2 | -177.1 | 174.1 | -146.4 | 0 | 0 | 111.3 | E484 R490 V491 A492 | E484-E488 VanDerWaalsContact O-CB 3.3Å; E484-E488 WeakPolarHBondContact O-CB 3.4Å; E484-E488 PolarHBondContact O-N 3.15Å; E488-R490 PolarHBondContact O-N 2.87Å; E488-V491 PolarHBondContact O-N 2.83Å; E488-A492 VanDerWaalsContact O-CB 3.26Å; E488-A492 WeakPolarHBondContact O-CB 3.3Å; E488-A492 PolarHBondContact O-N 3.03Å |
| 489 | R | 95.4 | Very high | 93 | Very high | 176 Ų | 176 | 120.9 Ų | 120.9 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 173.6 | -79.1 | 174.4 | 177.7 | 162.2 | 3.8 | 113 | E485 E486 E487 A492 M493 | E485-R489 WeakPolarHBondContact O-CG 3.4Å; E485-R489 PolarHBondContact O-N 3.41Å; E486-R489 PolarHBondContact O-N 2.82Å; E487-R489 VanDerWaalsContact C-N 3.28Å; E487-R489 PolarHBondContact O-N 3.15Å; R489-A492 PolarHBondContact O-N 3.42Å; R489-M493 WeakPolarHBondContact O-CG 3.44Å; R489-M493 PolarHBondContact O-N 2.84Å |
| 490 | R | 96.4 | Very high | 93.4 | Very high | 189 Ų | 189 | 120.3 Ų | 120.3 | 71% | 0.713 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.4 | -46.8 | 175.7 | -69.6 | 178.8 | -173 | -158.4 | 4.7 | 111.2 | E486 E487 E488 A492 M493 E494 | E486-R490 WeakPolarHBondContact O-CG 3.16Å; E486-R490 PolarHBondContact O-N 2.88Å; E486-R490 VanDerWaalsContact O-N 3.12Å; E487-R490 WeakPolarHBondContact O-CB 3.29Å; E487-R490 PolarHBondContact O-N 3.19Å; E488-R490 PolarHBondContact O-N 2.87Å; R490-A492 VanDerWaalsContact C-N 3.31Å; R490-A492 PolarHBondContact O-N 3.47Å; R490-M493 PolarHBondContact O-N 3.01Å; R490-E494 PolarHBondContact O-N 3.21Å |
| 491 | V | 92.7 | Very high | 93.5 | Very high | 48 Ų | 48 | 118.3 Ų | 118.3 | 29% | 0.291 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 177.7 | 174 | 0 | 0 | 0 | 0 | 111.4 | E487 E488 E494 R495 | E487-V491 HydrophobicContact CG-CG2 4.46Å; E487-V491 WeakPolarHBondContact O-CG2 3.35Å; E487-V491 PolarHBondContact O-N 3.36Å; E488-V491 PolarHBondContact O-N 2.83Å; V491-E494 PolarHBondContact O-N 3.02Å; V491-R495 HydrophobicContact CG1-CG 4.43Å; V491-R495 WeakPolarHBondContact O-CB 3.49Å; V491-R495 VanDerWaalsContact O-CG 3.26Å; V491-R495 WeakPolarHBondContact O-CG 3.25Å; V491-R495 PolarHBondContact O-N 3.32Å |
| 492 | A | 96.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 119.5 Ų | 119.5 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | E488 R489 R490 E494 R495 E496 | E488-A492 VanDerWaalsContact O-CB 3.26Å; E488-A492 WeakPolarHBondContact O-CB 3.3Å; E488-A492 PolarHBondContact O-N 3.03Å; R489-A492 PolarHBondContact O-N 3.42Å; R490-A492 VanDerWaalsContact C-N 3.31Å; R490-A492 PolarHBondContact O-N 3.47Å; A492-E494 VanDerWaalsContact C-N 3.26Å; A492-E494 PolarHBondContact O-N 3.48Å; A492-R495 PolarHBondContact O-N 3.37Å; A492-E496 WeakPolarHBondContact O-CB 3.34Å; A492-E496 PolarHBondContact O-N 2.76Å |
| 493 | M | 93.9 | Very high | 94 | Very high | 101 Ų | 101 | 116 Ų | 116 | 50% | 0.498 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -28.9 | 174.6 | -65.4 | -57.1 | -50.6 | 0 | 0 | 112.8 | R489 R490 E496 K497 | R489-M493 WeakPolarHBondContact O-CG 3.44Å; R489-M493 PolarHBondContact O-N 2.84Å; R490-M493 PolarHBondContact O-N 3.01Å; M493-E496 VanDerWaalsContact CE-OE2 3.22Å; M493-E496 WeakPolarHBondContact CE-OE2 3.36Å; M493-K497 WeakPolarHBondContact O-CD 3.28Å; M493-K497 VanDerWaalsContact O-CG 3.23Å; M493-K497 WeakPolarHBondContact O-CG 3.44Å; M493-K497 PolarHBondContact O-N 2.96Å |
| 494 | E | 93.6 | Very high | 94.3 | Very high | 117 Ų | 117 | 115 Ų | 115 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.3 | -47.2 | 173.4 | -172.2 | -179.8 | 169.2 | 0 | 0 | 111.6 | R490 V491 A492 E496 K497 L498 | R490-E494 PolarHBondContact O-N 3.21Å; V491-E494 PolarHBondContact O-N 3.02Å; A492-E494 VanDerWaalsContact C-N 3.26Å; A492-E494 PolarHBondContact O-N 3.48Å; E494-E496 VanDerWaalsContact C-N 3.31Å; E494-E496 PolarHBondContact O-N 3.29Å; E494-K497 WeakPolarHBondContact O-CB 3.49Å; E494-K497 PolarHBondContact O-N 2.67Å; E494-K497 VanDerWaalsContact O-N 3.16Å; E494-L498 HydrophobicContact CG-CD1 4.27Å; E494-L498 WeakPolarHBondContact O-CG 3.37Å; E494-L498 PolarHBondContact O-N 3.17Å |
| 495 | R | 94.9 | Very high | 94.5 | Very high | 175 Ų | 175 | 114 Ų | 114 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58 | -42.2 | 173.4 | -73.6 | 173.2 | -177.8 | -172.8 | 4.4 | 111.8 | V491 A492 K497 L498 Q499 | V491-R495 HydrophobicContact CG1-CG 4.43Å; V491-R495 WeakPolarHBondContact O-CB 3.49Å; V491-R495 VanDerWaalsContact O-CG 3.26Å; V491-R495 WeakPolarHBondContact O-CG 3.25Å; V491-R495 PolarHBondContact O-N 3.32Å; A492-R495 PolarHBondContact O-N 3.37Å; R495-K497 PolarHBondContact O-N 2.77Å; R495-L498 PolarHBondContact O-N 2.78Å; R495-Q499 WeakPolarHBondContact O-CB 3.46Å; R495-Q499 PolarHBondContact O-N 3.25Å |
| 496 | E | 95.2 | Very high | 94.7 | Very high | 73 Ų | 73 | 112.9 Ų | 112.9 | 34% | 0.341 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 176.1 | -166.5 | -159.7 | 167.6 | 0 | 0 | 111.8 | A492 M493 E494 Q499 K500 | A492-E496 WeakPolarHBondContact O-CB 3.34Å; A492-E496 PolarHBondContact O-N 2.76Å; M493-E496 VanDerWaalsContact CE-OE2 3.22Å; M493-E496 WeakPolarHBondContact CE-OE2 3.36Å; E494-E496 VanDerWaalsContact C-N 3.31Å; E494-E496 PolarHBondContact O-N 3.29Å; E496-Q499 PolarHBondContact O-N 2.98Å; E496-K500 HydrophobicContact CG-CD 4.36Å; E496-K500 WeakPolarHBondContact O-CB 3.36Å; E496-K500 WeakPolarHBondContact O-CG 3.49Å; E496-K500 PolarHBondContact O-N 3.12Å; E496-K500 VanDerWaalsContact OE1-CE 3.31Å; E496-K500 WeakPolarHBondContact OE1-CE 3.44Å; E496-K500 IonicContact OE1-NZ 3.77Å; E496-K500 PolarHBondContact OE1-NZ 3.14Å |
| 497 | K | 96.7 | Very high | 94.9 | Very high | 130 Ų | 130 | 112.3 Ų | 112.3 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 175.1 | -73.8 | 166.1 | -174.7 | 176 | 0 | 111.9 | M493 E494 R495 K500 Q501 | M493-K497 WeakPolarHBondContact O-CD 3.28Å; M493-K497 VanDerWaalsContact O-CG 3.23Å; M493-K497 WeakPolarHBondContact O-CG 3.44Å; M493-K497 PolarHBondContact O-N 2.96Å; E494-K497 WeakPolarHBondContact O-CB 3.49Å; E494-K497 PolarHBondContact O-N 2.67Å; E494-K497 VanDerWaalsContact O-N 3.16Å; R495-K497 PolarHBondContact O-N 2.77Å; K497-K500 PolarHBondContact O-N 3.01Å; K497-Q501 WeakPolarHBondContact O-CG 3.16Å; K497-Q501 PolarHBondContact O-N 3.13Å |
| 498 | L | 95.7 | Very high | 95.1 | Very high | 95 Ų | 95 | 112.5 Ų | 112.5 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 176.6 | -71.8 | 166.7 | 0 | 0 | 0 | 111.5 | E494 R495 Q501 Y502 | E494-L498 HydrophobicContact CG-CD1 4.27Å; E494-L498 WeakPolarHBondContact O-CG 3.37Å; E494-L498 PolarHBondContact O-N 3.17Å; R495-L498 PolarHBondContact O-N 2.78Å; L498-Q501 PolarHBondContact O-N 3.43Å; L498-Y502 PolarHBondContact O-N 2.68Å |
| 499 | Q | 94.4 | Very high | 95 | Very high | 111 Ų | 111 | 110.6 Ų | 110.6 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 173.5 | -178.9 | -178.5 | -24.7 | 0 | 0 | 111.1 | R495 E496 Q501 Y502 E503 | R495-Q499 WeakPolarHBondContact O-CB 3.46Å; R495-Q499 PolarHBondContact O-N 3.25Å; E496-Q499 PolarHBondContact O-N 2.98Å; Q499-Q501 VanDerWaalsContact C-N 3.31Å; Q499-Q501 PolarHBondContact O-N 3.37Å; Q499-Y502 WeakPolarHBondContact O-CB 3.22Å; Q499-Y502 PolarHBondContact O-N 2.82Å; Q499-Y502 VanDerWaalsContact O-N 3.13Å; Q499-E503 HydrophobicContact CG-CG 4.44Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.32Å; Q499-E503 PolarHBondContact NE2-OE1 3.49Å; Q499-E503 WeakPolarHBondContact O-CG 3.19Å; Q499-E503 PolarHBondContact O-N 3.01Å |
| 500 | K | 97 | Very high | 94.9 | Very high | 103 Ų | 103 | 108.6 Ų | 108.6 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 176.4 | -76.8 | 171.4 | 172.9 | 174.9 | 0 | 112.8 | E496 K497 L504 | E496-K500 HydrophobicContact CG-CD 4.36Å; E496-K500 WeakPolarHBondContact O-CB 3.36Å; E496-K500 WeakPolarHBondContact O-CG 3.49Å; E496-K500 PolarHBondContact O-N 3.12Å; E496-K500 VanDerWaalsContact OE1-CE 3.31Å; E496-K500 WeakPolarHBondContact OE1-CE 3.44Å; E496-K500 IonicContact OE1-NZ 3.77Å; E496-K500 PolarHBondContact OE1-NZ 3.14Å; K497-K500 PolarHBondContact O-N 3.01Å; K500-L504 WeakPolarHBondContact O-CB 3.33Å; K500-L504 WeakPolarHBondContact O-CD1 3.39Å; K500-L504 WeakPolarHBondContact O-CG 3.48Å; K500-L504 PolarHBondContact O-N 2.97Å |
| 501 | Q | 95 | Very high | 94.6 | Very high | 126 Ų | 126 | 105.6 Ų | 105.6 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.2 | -44 | 172.6 | -76 | 174.1 | -8.2 | 0 | 0 | 111.6 | K497 L498 Q499 L504 E505 | K497-Q501 WeakPolarHBondContact O-CG 3.16Å; K497-Q501 PolarHBondContact O-N 3.13Å; L498-Q501 PolarHBondContact O-N 3.43Å; Q499-Q501 VanDerWaalsContact C-N 3.31Å; Q499-Q501 PolarHBondContact O-N 3.37Å; Q501-L504 PolarHBondContact O-N 3.06Å; Q501-E505 WeakPolarHBondContact O-CB 3.44Å; Q501-E505 PolarHBondContact O-N 2.83Å |
| 502 | Y | 95.4 | Very high | 94.4 | Very high | 145 Ų | 145 | 109.8 Ų | 109.8 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 176.3 | 178.3 | -115 | 0 | 0 | 0 | 112.6 | L498 Q499 E505 I506 | L498-Y502 PolarHBondContact O-N 2.68Å; Q499-Y502 WeakPolarHBondContact O-CB 3.22Å; Q499-Y502 PolarHBondContact O-N 2.82Å; Q499-Y502 VanDerWaalsContact O-N 3.13Å; Y502-E505 PolarHBondContact O-N 2.77Å; Y502-I506 HydrophobicContact CD1-CD1 3.84Å; Y502-I506 HydrophobicContact CD2-CD1 4.48Å; Y502-I506 HydrophobicContact CE1-CD1 3.47Å; Y502-I506 VanDerWaalsContact CE1-CD1 3.47Å; Y502-I506 HydrophobicContact CE2-CD1 4.16Å; Y502-I506 HydrophobicContact CE2-CG1 4.38Å; Y502-I506 HydrophobicContact CG-CD1 4.34Å; Y502-I506 WeakPolarHBondContact O-CG1 3.41Å; Y502-I506 PolarHBondContact O-N 3.33Å |
| 503 | E | 96.6 | Very high | 94.1 | Very high | 86 Ų | 86 | 112.3 Ų | 112.3 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 174.4 | -72.4 | 168.2 | -178.4 | 0 | 0 | 111.9 | Q499 E505 I506 L507 | Q499-E503 HydrophobicContact CG-CG 4.44Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.32Å; Q499-E503 PolarHBondContact NE2-OE1 3.49Å; Q499-E503 WeakPolarHBondContact O-CG 3.19Å; Q499-E503 PolarHBondContact O-N 3.01Å; E503-E505 VanDerWaalsContact C-N 3.34Å; E503-I506 PolarHBondContact O-N 3.47Å; E503-L507 WeakPolarHBondContact O-CG 3.34Å; E503-L507 PolarHBondContact O-N 3Å |
| 504 | L | 95.8 | Very high | 93.7 | Very high | 114 Ų | 114 | 113 Ų | 113 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -36.5 | 174.2 | -72.2 | 169.3 | 0 | 0 | 0 | 112.3 | K500 Q501 L507 K508 | K500-L504 WeakPolarHBondContact O-CB 3.33Å; K500-L504 WeakPolarHBondContact O-CD1 3.39Å; K500-L504 WeakPolarHBondContact O-CG 3.48Å; K500-L504 PolarHBondContact O-N 2.97Å; Q501-L504 PolarHBondContact O-N 3.06Å; L504-L507 PolarHBondContact O-N 3.44Å; L504-K508 WeakPolarHBondContact O-CB 3.37Å; L504-K508 PolarHBondContact O-N 3.09Å |
| 505 | E | 93.4 | Very high | 93.2 | Very high | 92 Ų | 92 | 110.6 Ų | 110.6 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 175.5 | -153.4 | -154.1 | 170.6 | 0 | 0 | 111.7 | Q501 Y502 E503 K508 K509 | Q501-E505 WeakPolarHBondContact O-CB 3.44Å; Q501-E505 PolarHBondContact O-N 2.83Å; Y502-E505 PolarHBondContact O-N 2.77Å; E503-E505 VanDerWaalsContact C-N 3.34Å; E505-K508 PolarHBondContact O-N 3.45Å; E505-K509 VanDerWaalsContact CD-CE 3.45Å; E505-K509 HydrophobicContact CG-CD 4.38Å; E505-K509 WeakPolarHBondContact O-CB 3.36Å; E505-K509 WeakPolarHBondContact O-CD 3.44Å; E505-K509 VanDerWaalsContact O-CG 3.26Å; E505-K509 WeakPolarHBondContact O-CG 3.37Å; E505-K509 PolarHBondContact O-N 3.32Å; E505-K509 WeakPolarHBondContact OE1-CE 3.27Å; E505-K509 IonicContact OE1-NZ 2.79Å; E505-K509 PolarHBondContact OE1-NZ 2.87Å; E505-K509 IonicContact OE2-NZ 2.65Å; E505-K509 PolarHBondContact OE2-NZ 2.67Å |
| 506 | I | 96.8 | Very high | 92.6 | Very high | 52 Ų | 52 | 107.8 Ų | 107.8 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 171.4 | -73.3 | 163.7 | 0 | 0 | 0 | 110.6 | Y502 E503 K509 K510 | Y502-I506 HydrophobicContact CD1-CD1 3.84Å; Y502-I506 HydrophobicContact CD2-CD1 4.48Å; Y502-I506 HydrophobicContact CE1-CD1 3.47Å; Y502-I506 VanDerWaalsContact CE1-CD1 3.47Å; Y502-I506 HydrophobicContact CE2-CD1 4.16Å; Y502-I506 HydrophobicContact CE2-CG1 4.38Å; Y502-I506 HydrophobicContact CG-CD1 4.34Å; Y502-I506 WeakPolarHBondContact O-CG1 3.41Å; Y502-I506 PolarHBondContact O-N 3.33Å; E503-I506 PolarHBondContact O-N 3.47Å; I506-K509 PolarHBondContact O-N 2.86Å; I506-K510 HydrophobicContact CG2-CD 4.1Å; I506-K510 WeakPolarHBondContact O-CG 3.44Å; I506-K510 PolarHBondContact O-N 2.79Å |
| 507 | L | 95.2 | Very high | 91.6 | Very high | 107 Ų | 107 | 111 Ų | 111 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62 | -45 | 178 | -70.1 | 173 | 0 | 0 | 0 | 111.2 | E503 L504 K509 K510 E511 | E503-L507 WeakPolarHBondContact O-CG 3.34Å; E503-L507 PolarHBondContact O-N 3Å; L504-L507 PolarHBondContact O-N 3.44Å; L507-K509 VanDerWaalsContact C-N 3.34Å; L507-K509 PolarHBondContact O-N 2.94Å; L507-K510 PolarHBondContact O-N 2.73Å; L507-E511 WeakPolarHBondContact O-CB 3.47Å; L507-E511 PolarHBondContact O-N 2.99Å |
| 508 | K | 93.6 | Very high | 90.3 | Very high | 132 Ų | 132 | 112.2 Ų | 112.2 | 57% | 0.574 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66 | -32.4 | 177 | -168 | 170.5 | -172.7 | 171.6 | 0 | 113.3 | L504 E505 K512 | L504-K508 WeakPolarHBondContact O-CB 3.37Å; L504-K508 PolarHBondContact O-N 3.09Å; E505-K508 PolarHBondContact O-N 3.45Å; K508-K512 WeakPolarHBondContact O-CB 3.24Å; K508-K512 WeakPolarHBondContact O-CG 3.27Å; K508-K512 PolarHBondContact O-N 3.21Å |
| 509 | K | 91.6 | Very high | 89 | Confident | 99 Ų | 99 | 113.4 Ų | 113.4 | 43% | 0.43 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 171.3 | -78.1 | 163.2 | 174.5 | 164.6 | 0 | 111.1 | E505 I506 L507 K512 L513 | E505-K509 VanDerWaalsContact CD-CE 3.45Å; E505-K509 HydrophobicContact CG-CD 4.38Å; E505-K509 WeakPolarHBondContact O-CB 3.36Å; E505-K509 WeakPolarHBondContact O-CD 3.44Å; E505-K509 VanDerWaalsContact O-CG 3.26Å; E505-K509 WeakPolarHBondContact O-CG 3.37Å; E505-K509 PolarHBondContact O-N 3.32Å; E505-K509 WeakPolarHBondContact OE1-CE 3.27Å; E505-K509 IonicContact OE1-NZ 2.79Å; E505-K509 PolarHBondContact OE1-NZ 2.87Å; E505-K509 IonicContact OE2-NZ 2.65Å; E505-K509 PolarHBondContact OE2-NZ 2.67Å; I506-K509 PolarHBondContact O-N 2.86Å; L507-K509 VanDerWaalsContact C-N 3.34Å; L507-K509 PolarHBondContact O-N 2.94Å; K509-K512 PolarHBondContact O-N 3.24Å; K509-L513 WeakPolarHBondContact O-CG 3.38Å; K509-L513 PolarHBondContact O-N 3.31Å |
| 510 | K | 93 | Very high | 87.2 | Confident | 135 Ų | 135 | 113.7 Ų | 113.7 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.9 | -43.5 | 175.2 | -72.4 | 173.1 | 178.1 | 179.8 | 0 | 112.4 | I506 L507 L513 L514 | I506-K510 HydrophobicContact CG2-CD 4.1Å; I506-K510 WeakPolarHBondContact O-CG 3.44Å; I506-K510 PolarHBondContact O-N 2.79Å; L507-K510 PolarHBondContact O-N 2.73Å; K510-L513 PolarHBondContact O-N 3.47Å; K510-L514 WeakPolarHBondContact O-CB 3.43Å; K510-L514 PolarHBondContact O-N 2.89Å |
| 511 | E | 89.1 | Confident | 85.2 | Confident | 126 Ų | 126 | 114.3 Ų | 114.3 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.2 | -50.5 | 173.6 | -179.5 | -175 | -155.5 | 0 | 0 | 111.2 | L507 L513 L514 V515 | L507-E511 WeakPolarHBondContact O-CB 3.47Å; L507-E511 PolarHBondContact O-N 2.99Å; E511-L513 PolarHBondContact O-N 2.7Å; E511-L514 PolarHBondContact O-N 3.44Å; E511-V515 WeakPolarHBondContact O-CG2 3.44Å; E511-V515 PolarHBondContact O-N 3.38Å |
| 512 | K | 89.8 | Confident | 83.2 | Confident | 136 Ų | 136 | 114.7 Ų | 114.7 | 59% | 0.591 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -55.6 | -49.9 | 175.3 | -82.3 | -175.8 | 168.6 | -161.2 | 0 | 112.7 | K508 K509 L514 V515 E516 | K508-K512 WeakPolarHBondContact O-CB 3.24Å; K508-K512 WeakPolarHBondContact O-CG 3.27Å; K508-K512 PolarHBondContact O-N 3.21Å; K509-K512 PolarHBondContact O-N 3.24Å; K512-L514 VanDerWaalsContact C-N 3.28Å; K512-L514 PolarHBondContact O-N 3.18Å; K512-V515 PolarHBondContact O-N 2.98Å; K512-E516 VanDerWaalsContact O-CB 3.24Å; K512-E516 WeakPolarHBondContact O-CB 3.33Å; K512-E516 PolarHBondContact O-N 2.82Å |
| 513 | L | 89.3 | Confident | 81.1 | Confident | 104 Ų | 104 | 112.8 Ų | 112.8 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -34.3 | 179.7 | -72.2 | 169.6 | 0 | 0 | 0 | 112.4 | K509 K510 E511 E516 L517 | K509-L513 WeakPolarHBondContact O-CG 3.38Å; K509-L513 PolarHBondContact O-N 3.31Å; K510-L513 PolarHBondContact O-N 3.47Å; E511-L513 PolarHBondContact O-N 2.7Å; L513-E516 PolarHBondContact O-N 3.24Å; L513-L517 PolarHBondContact O-N 3.47Å |
| 514 | L | 85 | Confident | 78.9 | Confident | 115 Ų | 115 | 114.1 Ų | 114.1 | 60% | 0.602 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.4 | -40.6 | 176.9 | -167.5 | 151.7 | 0 | 0 | 0 | 111.4 | K510 E511 K512 L517 Q518 | K510-L514 WeakPolarHBondContact O-CB 3.43Å; K510-L514 PolarHBondContact O-N 2.89Å; E511-L514 PolarHBondContact O-N 3.44Å; K512-L514 VanDerWaalsContact C-N 3.28Å; K512-L514 PolarHBondContact O-N 3.18Å; L514-L517 PolarHBondContact O-N 2.95Å; L514-Q518 WeakPolarHBondContact O-CB 3.47Å; L514-Q518 PolarHBondContact O-N 3.39Å |
| 515 | V | 84.6 | Confident | 76.8 | Confident | 66 Ų | 66 | 114.4 Ų | 114.4 | 40% | 0.4 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.1 | -36.6 | 172.2 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | E511 K512 Q518 N519 | E511-V515 WeakPolarHBondContact O-CG2 3.44Å; E511-V515 PolarHBondContact O-N 3.38Å; K512-V515 PolarHBondContact O-N 2.98Å; V515-Q518 PolarHBondContact O-N 3.41Å; V515-N519 WeakPolarHBondContact CG1-ND2 3.24Å; V515-N519 WeakPolarHBondContact O-CB 3.42Å; V515-N519 PolarHBondContact O-N 2.96Å; V515-N519 PolarHBondContact O-ND2 2.91Å |
| 516 | E | 81.1 | Confident | 74.3 | Confident | 117 Ų | 117 | 119.1 Ų | 119.1 | 55% | 0.547 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70 | -35.9 | 177.2 | -170.9 | 164.8 | -158.1 | 0 | 0 | 112.2 | K512 L513 N520 | K512-E516 VanDerWaalsContact O-CB 3.24Å; K512-E516 WeakPolarHBondContact O-CB 3.33Å; K512-E516 PolarHBondContact O-N 2.82Å; L513-E516 PolarHBondContact O-N 3.24Å; E516-N520 PolarHBondContact O-ND2 3.36Å |
| 517 | L | 74.9 | Confident | 71.6 | Confident | 141 Ų | 141 | 125 Ų | 125 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.9 | -41.6 | 165.8 | -109.1 | 67.9 | 0 | 0 | 0 | 112.1 | L513 L514 | L513-L517 PolarHBondContact O-N 3.47Å; L514-L517 PolarHBondContact O-N 2.95Å |
| 518 | Q | 69.6 | Low | 69.3 | Low | 155 Ų | 155 | 125.9 Ų | 125.9 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75.2 | -22.8 | -176.9 | -168.8 | 163.1 | 20.3 | 0 | 0 | 113.7 | L514 V515 | L514-Q518 WeakPolarHBondContact O-CB 3.47Å; L514-Q518 PolarHBondContact O-N 3.39Å; V515-Q518 PolarHBondContact O-N 3.41Å |
| 519 | N | 68.6 | Low | 66.7 | Low | 119 Ų | 119 | 127 Ų | 127 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 0.4 | 179 | -73.3 | -25.6 | 0 | 0 | 0 | 114.3 | V515 P521 | V515-N519 WeakPolarHBondContact CG1-ND2 3.24Å; V515-N519 WeakPolarHBondContact O-CB 3.42Å; V515-N519 PolarHBondContact O-N 2.96Å; V515-N519 PolarHBondContact O-ND2 2.91Å; N519-P521 WeakPolarHBondContact O-CD 3.31Å |
| 520 | N | 55.7 | Low | 64.3 | Low | 117 Ų | 117 | 129.1 Ų | 129.1 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -91.7 | 109.7 | 173.1 | -88.1 | -81.3 | 0 | 0 | 0 | 110.7 | E516 V522 | E516-N520 PolarHBondContact O-ND2 3.36Å; N520-V522 PolarHBondContact O-N 3.2Å |
| 521 | P | 55.2 | Low | 61.4 | Low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.1 | 176.9 | 29.8 | -33.5 | 0 | 0 | 0 | 111 | N519 | N519-P521 WeakPolarHBondContact O-CD 3.31Š|
| 522 | V | 53 | Low | 58.6 | Low | 133 Ų | 133 | 127.4 Ų | 127.4 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 128.2 | 169.2 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | N520 | N520-V522 PolarHBondContact O-N 3.2Š|
| 523 | P | 50.7 | Low | 55.7 | Low | 105 Ų | 105 | 124.8 Ų | 124.8 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -68 | 144.9 | 175.7 | 28.5 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 524 | P | 51.7 | Low | 53.2 | Low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -65 | 142.2 | 179.4 | -19 | 31.8 | 0 | 0 | 0 | 112 | ||
| 525 | P | 50.6 | Low | 50.8 | Low | 121 Ų | 121 | 127.2 Ų | 127.2 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 132.4 | 166.7 | 30.5 | -32.7 | 0 | 0 | 0 | 110.1 | ||
| 526 | E | 40.9 | Very low | 48.3 | Very low | 190 Ų | 190 | 131.1 Ų | 131.1 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 137.9 | 174.2 | -62.7 | -178.5 | 152.1 | 0 | 0 | 110.9 | ||
| 527 | Q | 40.8 | Very low | 46 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 131.7 | 172.2 | -64.6 | -171.8 | -86.4 | 0 | 0 | 110.9 | ||
| 528 | P | 46.6 | Very low | 44.7 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 135.5 | 151.5 | 33 | -28.6 | 0 | 0 | 0 | 110 | ||
| 529 | E | 37.9 | Very low | 42.9 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 148.3 | 178.5 | -75 | -154.7 | 132.3 | 0 | 0 | 113.3 | ||
| 530 | I | 41.3 | Very low | 41.2 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | 66.8 | 139 | 153.4 | -65.6 | 158.5 | 0 | 0 | 0 | 114.7 | ||||
| 531 | D | 32.9 | Very low | 40 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | cis | -144.1 | 160.2 | 19.3 | -147.4 | 9 | 0 | 0 | 0 | 108.5 | ||||
| 532 | G | 31.2 | Very low | 38.8 | Very low | 67 Ų | 67 | 130.8 Ų | 130.8 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | cis | 172 | 168.6 | 0.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 533 | G | 29.1 | Very low | 37.8 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | 124.2 | 113.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 534 | S | 35.6 | Very low | 37 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | trans | -32.6 | 159.7 | 158.8 | -60 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 535 | E | 34.6 | Very low | 35.9 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | cis | -167.6 | 179.2 | -5.7 | -108.1 | 152.9 | -121.9 | 0 | 0 | 106.8 | ||||
| 536 | E | 32.3 | Very low | 35 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | cis | -149.2 | -175 | 10.6 | -141.2 | -93.8 | 88.6 | 0 | 0 | 109.8 | ||||
| 537 | T | 32.9 | Very low | 34.5 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | trans | -97.1 | -165.1 | 172.7 | 4.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 538 | P | 47.9 | Very low | 33.9 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | cis | -128.7 | -178.2 | -22.1 | 28.5 | -7.6 | 0 | 0 | 0 | 114.2 | ||||
| 539 | G | 30.6 | Very low | 33.3 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | 147 | 79.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 540 | S | 33.9 | Very low | 33 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | 55.5 | 103.8 | 126.8 | -149.8 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 541 | R | 29.7 | Very low | 32.6 | Very low | 222 Ų | 222 | 131.1 Ų | 131.1 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | 79.2 | 152 | 119.3 | -148.1 | -166.7 | -165.6 | -143.7 | 7.3 | 121.8 | |||||
| 542 | I | 31.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 63% | 0.631 | 74% | 0.742 | S | S | * | * | trans | 93.9 | 96.6 | 158.7 | -53.1 | -168.5 | 0 | 0 | 0 | 119.7 | ||||
| 543 | T | 31 | Very low | 32.5 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | trans | 36.8 | 139.9 | 134.9 | 76.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 544 | R | 33.2 | Very low | 33.1 | Very low | 200 Ų | 200 | 133 Ų | 133 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | 93.5 | 132.3 | 128 | -89.5 | 170.7 | 175.1 | 140.1 | 3.9 | 122.3 | |||||
| 545 | E | 29.8 | Very low | 32.8 | Very low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | 81.2 | 128.4 | 133.4 | -74.4 | 157.3 | -149.3 | 0 | 0 | 122.4 | ||||
| 546 | T | 31 | Very low | 32.9 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | 62.2 | 110.7 | 144.6 | 54.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 547 | E | 31 | Very low | 33.1 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | 77.4 | 140.2 | 124.1 | -64.3 | -170.2 | 160.5 | 0 | 0 | 123.1 | |||||
| 548 | S | 29.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | 89.1 | 121.5 | 141.7 | -71.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 549 | V | 32.7 | Very low | 32.3 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | 83.2 | 107 | 133.9 | 171.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 550 | E | 32.1 | Very low | 32.5 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | trans | 59.4 | 153.1 | 140.5 | -61.1 | -166.3 | 147.5 | 0 | 0 | 121 | ||||
| 551 | N | 32.3 | Very low | 32.7 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | cis | -159.8 | 134.7 | -22.3 | -101.7 | -27.7 | 0 | 0 | 0 | 106.3 | ||||
| 552 | G | 31.1 | Very low | 33 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -169.2 | 57.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 553 | D | 31 | Very low | 33 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | 45.6 | 128.3 | 152.4 | -154.6 | 17.5 | 0 | 0 | 0 | 123.8 | ||||
| 554 | S | 41.7 | Very low | 33.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 52.7 | 116.5 | 151.7 | -70.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 555 | G | 30.5 | Very low | 33.2 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | -166.6 | 29 | 176.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 556 | S | 35.4 | Very low | 33.5 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | 51.1 | 123.2 | 168.4 | -178 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 557 | S | 37 | Very low | 33.7 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | -9 | 157.8 | 144.9 | 69.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 558 | F | 29.2 | Very low | 33.7 | Very low | 198 Ų | 198 | 130.3 Ų | 130.3 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | cis | -158.5 | 135 | 36.8 | -144.6 | -79.3 | 0 | 0 | 0 | 113.2 | ||||
| 559 | K | 35 | Very low | 35 | Very low | 194 Ų | 194 | 131 Ų | 131 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -165.8 | 169.3 | 175.5 | -83.1 | -161 | -178.2 | -174.4 | 0 | 108.6 | ||||
| 560 | D | 33.5 | Very low | 36.4 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | cis | -178.5 | 153.6 | -28.5 | 179.6 | 14.7 | 0 | 0 | 0 | 106.8 | ||||
| 561 | S | 39.3 | Very low | 37.2 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | 51 | 129.2 | 154.6 | -73.1 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 562 | S | 35.9 | Very low | 37.2 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 72 | 167.6 | 140.5 | -155.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 563 | V | 31.6 | Very low | 37.2 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | 161 | 128.1 | 144.6 | 155.6 | 0 | 0 | 0 | 0 | 111 | T565 | V563-T565 WeakPolarHBondContact CG1-OG1 3.27Š| ||
| 564 | Q | 33.3 | Very low | 37.5 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -92.6 | 147.8 | 157.1 | -60.6 | 171.7 | -90.1 | 0 | 0 | 109 | ||||
| 565 | T | 34.3 | Very low | 37 | Very low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -151.2 | 151.5 | 167.2 | -38.1 | 0 | 0 | 0 | 0 | 112.9 | V563 | V563-T565 WeakPolarHBondContact CG1-OG1 3.27Š| ||
| 566 | E | 36.2 | Very low | 37.2 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | -125.3 | -177.2 | -175.7 | -59.8 | 178.7 | -148.9 | 0 | 0 | 111.1 | ||||
| 567 | D | 35.5 | Very low | 37.1 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -42.4 | 128.5 | -163.5 | -82.6 | -46.7 | 0 | 0 | 0 | 121.1 | ||||
| 568 | A | 31.1 | Very low | 37 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | 43.6 | 171.8 | 110.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 569 | P | 55.8 | Low | 36.9 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | -135.2 | -139 | -52.1 | 39.4 | -19.4 | 0 | 0 | 0 | 111.2 | |||||
| 570 | P | 62.3 | Low | 36.6 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | -109.8 | -172 | -67.1 | 41.7 | -25.6 | 0 | 0 | 0 | 112.9 | |||||
| 571 | P | 48.9 | Very low | 36.2 | Very low | 131 Ų | 131 | 132 Ų | 132 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | -146.2 | -165.3 | 85.1 | 36.6 | -15.5 | 0 | 0 | 0 | 114.1 | |||||
| 572 | A | 32.4 | Very low | 35.9 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -152.5 | 157.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 573 | A | 30.6 | Very low | 35.8 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -158.4 | 136 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 574 | A | 37.6 | Very low | 36 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | cis | 88.3 | 98.9 | 42.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 575 | D | 32.7 | Very low | 35.8 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | -165.6 | -152.1 | 117.6 | -146 | -18.4 | 0 | 0 | 0 | 112.7 | |||||
| 576 | R | 34.2 | Very low | 35.7 | Very low | 223 Ų | 223 | 133.8 Ų | 133.8 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -148 | 176.7 | -146.3 | -173 | -176.4 | -179.5 | -170.4 | 0.7 | 113 | ||||
| 577 | V | 32.5 | Very low | 35.8 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 65% | 0.648 | 78% | 0.782 | S | S | * | * | trans | 106.8 | 105.1 | 154.8 | -176.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 578 | Q | 34.3 | Very low | 35.3 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | 56.6 | 121.1 | 131.1 | -59 | 173.9 | 6.4 | 0 | 0 | 125.8 | ||||
| 579 | T | 27.6 | Very low | 35.1 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | 33.5 | 136 | 130 | 64.5 | 0 | 0 | 0 | 0 | 124 | |||||
| 580 | A | 29.1 | Very low | 34.9 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | 174.7 | 167.4 | 112.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 581 | D | 26 | Very low | 33.4 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | trans | -105.2 | -173.9 | -173.7 | -102.6 | -65.4 | 0 | 0 | 0 | 114.1 | ||||
| 582 | I | 32.3 | Very low | 33.3 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | 93.3 | 143 | 159.5 | -50.6 | 171.4 | 0 | 0 | 0 | 116.6 | ||||
| 583 | S | 34.5 | Very low | 32.9 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | 178.6 | -178.2 | -34.2 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 584 | V | 34.4 | Very low | 32.8 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | trans | 75.9 | 144.4 | 164.3 | -168.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 585 | Q | 29.2 | Very low | 32.3 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | cis | -139.6 | 156.3 | 2.8 | -132.1 | 142.3 | -0.8 | 0 | 0 | 108.6 | ||||
| 586 | N | 32.1 | Very low | 31.9 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | cis | 69.8 | 140.4 | 39.7 | -89.6 | -24.5 | 0 | 0 | 0 | 115.6 | ||||
| 587 | Q | 39.8 | Very low | 31.5 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | cis | -176.4 | 177.5 | -14.6 | -147.6 | -166.6 | 90 | 0 | 0 | 113.1 | ||||
| 588 | N | 24.6 | Very low | 32.1 | Very low | 133 Ų | 133 | 130.6 Ų | 130.6 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -159.8 | 155.8 | 139.8 | -93.2 | -55.6 | 0 | 0 | 0 | 108.6 | ||||
| 589 | R | 26.9 | Very low | 31.6 | Very low | 203 Ų | 203 | 129.6 Ų | 129.6 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | cis | 84 | 144 | 17.5 | -168.6 | -174.5 | -179.3 | -129.4 | 3.5 | 114.6 | ||||
| 590 | P | 51.3 | Low | 31.6 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -108.4 | 162.6 | -4.9 | 8.6 | 17.1 | 0 | 0 | 0 | 114 | ||||
| 591 | A | 30.3 | Very low | 31.6 | Very low | 91 Ų | 91 | 134.2 Ų | 134.2 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | 87.3 | 159.5 | 52.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 592 | P | 46.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -140 | 169.1 | 11.7 | 43.5 | -25.4 | 0 | 0 | 0 | 119.3 | ||||
| 593 | C | 24.8 | Very low | 31.8 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 91% | 0.912 | 77% | 0.769 | S | S | * | * | trans | 45.6 | 142.8 | 152.9 | -58.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 594 | G | 28.1 | Very low | 31.8 | Very low | 71 Ų | 71 | 135.2 Ų | 135.2 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | cis | 166.7 | -176.2 | 4.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 595 | S | 27.3 | Very low | 32.9 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | cis | -179.9 | 148 | -15.6 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 596 | A | 24.7 | Very low | 33.2 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | 86.3 | 147.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 597 | E | 24.8 | Very low | 33.5 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -101.7 | -175 | 161.6 | -126.7 | -159.1 | 172.3 | 0 | 0 | 108.4 | ||||
| 598 | P | 45.5 | Very low | 33.1 | Very low | 102 Ų | 102 | 133 Ų | 133 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | cis | -136.3 | -175.5 | -7.3 | 41.8 | -23.4 | 0 | 0 | 0 | 115.9 | ||||
| 599 | N | 25.4 | Very low | 34.1 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | 59.3 | 114.6 | 145.7 | -168.5 | 11.9 | 0 | 0 | 0 | 121.2 | ||||
| 600 | S | 27.1 | Very low | 34.8 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | 159.8 | 156.7 | 110.9 | 63.8 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 601 | R | 28 | Very low | 34.2 | Very low | 241 Ų | 241 | 135.3 Ų | 135.3 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 66.1 | 115.3 | 152.7 | -74.1 | 169.2 | 178.7 | 178.5 | 0.4 | 122.2 | ||||
| 602 | S | 33.3 | Very low | 34.5 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -25.9 | 134.6 | 147.8 | 174.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 603 | R | 30.3 | Very low | 33.7 | Very low | 240 Ų | 240 | 138.3 Ų | 138.3 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | -171.2 | 159.3 | 117.7 | -129.9 | -178.5 | 179.3 | 171.9 | -0.5 | 113.5 | |||||
| 604 | A | 33 | Very low | 34.6 | Very low | 82 Ų | 82 | 139.5 Ų | 139.5 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -110.1 | -171 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 605 | P | 57.5 | Low | 35.6 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | cis | -134.7 | -155.8 | -7.4 | 41.1 | -21.1 | 0 | 0 | 0 | 112.6 | ||||
| 606 | R | 36.2 | Very low | 36.2 | Very low | 235 Ų | 235 | 142 Ų | 142 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 129.1 | 160.2 | 150 | -63.2 | -128.2 | -166.4 | -138.3 | 1.4 | 113.6 | ||||
| 607 | A | 37.8 | Very low | 36.9 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | 170.6 | 129.7 | -51.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 608 | G | 33 | Very low | 37.8 | Very low | 66 Ų | 66 | 141.5 Ų | 141.5 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | trans | -177.3 | 109.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 609 | K | 45.3 | Very low | 37.7 | Very low | 191 Ų | 191 | 141.8 Ų | 141.8 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | 72.6 | 130.4 | 85.3 | -78.4 | -174.8 | 172 | -161.4 | 0 | 112.7 | |||||
| 610 | E | 40.4 | Very low | 38.9 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | cis | -148.4 | 140.6 | -11.7 | 45.2 | -110.4 | 143.1 | 0 | 0 | 108.6 | ||||
| 611 | N | 39.2 | Very low | 39.7 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | 83.4 | 140.7 | 61 | -116.4 | 1.4 | 0 | 0 | 0 | 114.9 | |||||
| 612 | I | 36.8 | Very low | 40.7 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 74.1 | 131.2 | 167.6 | -63.1 | 162.7 | 0 | 0 | 0 | 115.8 | ||||
| 613 | C | 29.3 | Very low | 41.5 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | cis | -157.9 | 166.1 | -11.2 | -114 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 614 | L | 43 | Very low | 42.2 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | -95.8 | 164.6 | 153.4 | -68 | 173.2 | 0 | 0 | 0 | 109.2 | ||||
| 615 | P | 50.5 | Low | 43 | Very low | 129 Ų | 129 | 131 Ų | 131 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | -144.2 | 173.9 | 106.3 | 39.1 | -25.2 | 0 | 0 | 0 | 116.1 | |||||
| 616 | A | 40.1 | Very low | 42.2 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | trans | -38.6 | 153.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 617 | G | 38.4 | Very low | 42.5 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 166 | 95.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 618 | E | 43.3 | Very low | 42.7 | Very low | 199 Ų | 199 | 136.8 Ų | 136.8 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | trans | -81.7 | 117.5 | 169.8 | -68.8 | -173.2 | 135.7 | 0 | 0 | 109.6 | ||||
| 619 | D | 44.7 | Very low | 43 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 58% | 0.578 | 77% | 0.773 | S | S | * | * | trans | -103.3 | 110.5 | 169.4 | 175.6 | 11.2 | 0 | 0 | 0 | 109.7 | Y621 A622 | D619-Y621 PolarHBondContact O-N 2.84Å; D619-Y621 VanDerWaalsContact O-N 3.12Å; D619-Y621 VanDerWaalsContact OD1-CB 3.28Å; D619-Y621 WeakPolarHBondContact OD1-CB 3.29Å; D619-Y621 PolarHBondContact OD1-N 2.91Å; D619-A622 PolarHBondContact O-N 2.79Å | ||
| 620 | P | 50.8 | Low | 42.7 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -13.8 | 176.8 | -23.5 | 34.9 | 0 | 0 | 0 | 114.8 | P623 | P620-P623 WeakPolarHBondContact O-CD 3.36Š|
| 621 | Y | 41.9 | Very low | 43.2 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -2.7 | -174.7 | -150.2 | -104.7 | 0 | 0 | 0 | 114.6 | D619 P623 | D619-Y621 PolarHBondContact O-N 2.84Å; D619-Y621 VanDerWaalsContact O-N 3.12Å; D619-Y621 VanDerWaalsContact OD1-CB 3.28Å; D619-Y621 WeakPolarHBondContact OD1-CB 3.29Å; D619-Y621 PolarHBondContact OD1-N 2.91Å; Y621-P623 VanDerWaalsContact C-N 3.33Å; Y621-P623 WeakPolarHBondContact O-CD 3.22Å; Y621-P623 VanDerWaalsContact O-N 3.12Å |
| 622 | A | 50.6 | Low | 43.4 | Very low | 63 Ų | 63 | 148.9 Ų | 148.9 | 52% | 0.521 | 78% | 0.783 | S | S | . | * | G | 310 helix | trans | -49.3 | -31.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | D619 F624 A625 | D619-A622 PolarHBondContact O-N 2.79Å; A622-F624 PolarHBondContact O-N 3.23Å; A622-A625 PolarHBondContact O-N 3.21Å |
| 623 | P | 49.1 | Very low | 43.4 | Very low | 104 Ų | 104 | 146.6 Ų | 146.6 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -59.9 | -18.9 | -174.9 | -28.6 | 37.1 | 0 | 0 | 0 | 116.7 | P620 Y621 | P620-P623 WeakPolarHBondContact O-CD 3.36Å; Y621-P623 VanDerWaalsContact C-N 3.33Å; Y621-P623 WeakPolarHBondContact O-CD 3.22Å; Y621-P623 VanDerWaalsContact O-N 3.12Å |
| 624 | F | 46 | Very low | 44.2 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -105.7 | -3.2 | -176 | -63.8 | -76.7 | 0 | 0 | 0 | 114.3 | A622 R626 | A622-F624 PolarHBondContact O-N 3.23Å; F624-R626 PolarHBondContact O-N 2.76Å |
| 625 | A | 48.4 | Very low | 44.6 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | trans | -77.2 | 105.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A622 T627 | A622-A625 PolarHBondContact O-N 3.21Å; A625-T627 PolarHBondContact O-N 2.85Å | ||
| 626 | R | 41.4 | Very low | 44.7 | Very low | 248 Ų | 248 | 154 Ų | 154 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | trans | -62.1 | 106.6 | 175.4 | -74.8 | -179.7 | 168 | -174.3 | -3 | 111 | F624 E628 | F624-R626 PolarHBondContact O-N 2.76Å; R626-E628 PolarHBondContact O-N 2.83Å | ||
| 627 | T | 43.5 | Very low | 45.5 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | -79.9 | 107.5 | 178.7 | 37.7 | 0 | 0 | 0 | 0 | 112.3 | A625 R629 | A625-T627 PolarHBondContact O-N 2.85Å; T627-R629 PolarHBondContact O-N 3.4Å | ||
| 628 | E | 40.6 | Very low | 46.7 | Very low | 192 Ų | 192 | 156.6 Ų | 156.6 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -65.4 | 126.5 | 150.4 | -79.4 | -145.2 | 134.2 | 0 | 0 | 109.3 | R626 | R626-E628 PolarHBondContact O-N 2.83Š| ||
| 629 | R | 40.2 | Very low | 46.8 | Very low | 231 Ų | 231 | 158.7 Ų | 158.7 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | trans | -138 | 104.7 | 157.8 | -76.5 | -160.9 | 172.2 | -164.4 | -1.8 | 112 | T627 | T627-R629 PolarHBondContact O-N 3.4Š| ||
| 630 | S | 38.7 | Very low | 47.4 | Very low | 115 Ų | 115 | 155.5 Ų | 155.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 28.9 | 119.6 | 143.9 | -165.8 | 0 | 0 | 0 | 0 | 119 | R632 | S630-R632 PolarHBondContact O-N 3.45Š| ||
| 631 | R | 50.8 | Low | 47.4 | Very low | 245 Ų | 245 | 154.4 Ų | 154.4 | 93% | 0.925 | 75% | 0.75 | S | S | * | * | trans | -76.6 | 111.4 | 167.7 | -64.7 | -177.8 | -179.5 | -168.2 | 1.7 | 111.3 | ||||
| 632 | R | 42.6 | Very low | 47.9 | Very low | 225 Ų | 225 | 155.3 Ų | 155.3 | 85% | 0.849 | 76% | 0.76 | S | S | * | * | trans | -157 | 149.3 | 150.2 | -113.6 | 165 | -119.5 | -139.8 | 0.6 | 112.3 | S630 K634 | S630-R632 PolarHBondContact O-N 3.45Å; R632-K634 PolarHBondContact O-N 2.8Å | ||
| 633 | S | 37.4 | Very low | 48.2 | Very low | 106 Ų | 106 | 162.7 Ų | 162.7 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 37.5 | 68.5 | 163.5 | 56.9 | 0 | 0 | 0 | 0 | 118.4 | T635 | S633-T635 PolarHBondContact O-N 2.9Š| ||
| 634 | K | 47.2 | Very low | 48.7 | Very low | 209 Ų | 209 | 163.2 Ų | 163.2 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -83.2 | 84.1 | 148.3 | -73.4 | -175.8 | 179.3 | -179.8 | 0 | 108.5 | R632 R636 | R632-K634 PolarHBondContact O-N 2.8Å; K634-R636 PolarHBondContact O-N 3.49Å; K634-R636 VanDerWaalsContact O-N 3.12Å | ||
| 635 | T | 50.3 | Low | 49.3 | Very low | 131 Ų | 131 | 161 Ų | 161 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -61.6 | 114.7 | 172.8 | -53.7 | 0 | 0 | 0 | 0 | 108.3 | S633 | S633-T635 PolarHBondContact O-N 2.9Š| ||
| 636 | R | 52.8 | Low | 50.2 | Low | 216 Ų | 216 | 168.5 Ų | 168.5 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -74.3 | 141 | -177.7 | -160.4 | 177.4 | -167.2 | 176.3 | 3 | 108.7 | K634 E638 | K634-R636 PolarHBondContact O-N 3.49Å; K634-R636 VanDerWaalsContact O-N 3.12Å; R636-E638 PolarHBondContact O-N 2.81Å | ||
| 637 | P | 57.8 | Low | 51.7 | Low | 95 Ų | 95 | 167.4 Ų | 167.4 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | trans | -57 | 127.5 | 173.6 | -25.7 | 35 | 0 | 0 | 0 | 111.1 | W639 | P637-W639 PolarHBondContact O-N 2.97Š| ||
| 638 | E | 62.5 | Low | 53.3 | Low | 146 Ų | 146 | 169.4 Ų | 169.4 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -73.7 | 63.5 | -175.1 | -86.5 | -97.3 | 115.8 | 0 | 0 | 112.4 | R636 G640 T641 | R636-E638 PolarHBondContact O-N 2.81Å; E638-G640 VanDerWaalsContact C-N 3.35Å; E638-G640 PolarHBondContact O-N 3.06Å; E638-T641 WeakPolarHBondContact OE2-CB 3.31Å; E638-T641 WeakPolarHBondContact OE2-CG2 3.36Å; E638-T641 PolarHBondContact OE2-OG1 3.23Å | ||
| 639 | W | 44.8 | Very low | 54.8 | Low | 243 Ų | 243 | 162.6 Ų | 162.6 | 92% | 0.92 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 84.9 | 173.4 | -73.8 | 104.2 | 0 | 0 | 0 | 111.4 | P637 | P637-W639 PolarHBondContact O-N 2.97Š|
| 640 | G | 58.9 | Low | 56.5 | Low | 42 Ų | 42 | 153.7 Ų | 153.7 | 43% | 0.433 | 73% | 0.734 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 147.8 | -7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | E638 Q642 R643 | E638-G640 VanDerWaalsContact C-N 3.35Å; E638-G640 PolarHBondContact O-N 3.06Å; G640-Q642 VanDerWaalsContact C-N 3.29Å; G640-Q642 PolarHBondContact O-N 2.73Å; G640-R643 PolarHBondContact O-N 3.05Å |
| 641 | T | 50.7 | Low | 57.8 | Low | 97 Ų | 97 | 151.4 Ų | 151.4 | 60% | 0.595 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -8.7 | -173.5 | 39.8 | 0 | 0 | 0 | 0 | 115.1 | E638 | E638-T641 WeakPolarHBondContact OE2-CB 3.31Å; E638-T641 WeakPolarHBondContact OE2-CG2 3.36Å; E638-T641 PolarHBondContact OE2-OG1 3.23Å |
| 642 | Q | 52.5 | Low | 58.6 | Low | 192 Ų | 192 | 142.2 Ų | 142.2 | 90% | 0.897 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 45.3 | 162.4 | -68.7 | -164.4 | -2.2 | 0 | 0 | 113.4 | G640 P644 | G640-Q642 VanDerWaalsContact C-N 3.29Å; G640-Q642 PolarHBondContact O-N 2.73Å; Q642-P644 WeakPolarHBondContact O-CD 3.42Å |
| 643 | R | 57.1 | Low | 60 | Low | 218 Ų | 218 | 136.5 Ų | 136.5 | 82% | 0.823 | 68% | 0.678 | S | S | * | * | trans | -89.3 | 100.7 | 159.6 | -77.6 | -172.4 | 175.7 | -141.6 | -2.3 | 109 | G640 | G640-R643 PolarHBondContact O-N 3.05Š| ||
| 644 | P | 58.3 | Low | 61.9 | Low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 67% | 0.672 | S | S | * | * | trans | -57 | 143.6 | 170.9 | 25.6 | -34.3 | 0 | 0 | 0 | 109.3 | Q642 R646 | Q642-P644 WeakPolarHBondContact O-CD 3.42Å; P644-R646 PolarHBondContact O-N 3.33Å | ||
| 645 | S | 59 | Low | 63.2 | Low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | trans | -61.2 | 99.4 | -171.4 | 51.1 | 0 | 0 | 0 | 0 | 111 | R647 | S645-R647 PolarHBondContact O-N 2.91Š| ||
| 646 | R | 66.4 | Low | 64.7 | Low | 230 Ų | 230 | 132 Ų | 132 | 87% | 0.868 | 64% | 0.637 | S | S | * | * | trans | -70.4 | 100.6 | -176.5 | -143.1 | 175.8 | -165.6 | -99.1 | 4.2 | 107.7 | P644 F648 | P644-R646 PolarHBondContact O-N 3.33Å; R646-F648 PolarHBondContact O-N 2.9Å | ||
| 647 | R | 74.3 | Confident | 65.8 | Low | 225 Ų | 225 | 126.6 Ų | 126.6 | 85% | 0.849 | 63% | 0.628 | S | S | * | * | trans | -44.2 | 137.4 | 179.1 | -73.9 | -173.6 | -87.9 | -154.6 | -3.8 | 110.2 | S645 V649 | S645-R647 PolarHBondContact O-N 2.91Å; R647-V649 PolarHBondContact O-N 2.81Å | ||
| 648 | F | 75.4 | Confident | 66.4 | Low | 167 Ų | 167 | 125 Ų | 125 | 73% | 0.732 | 62% | 0.623 | S | S | * | * | trans | -60.4 | 110.5 | -177.5 | 173.1 | -95 | 0 | 0 | 0 | 109.7 | R646 P650 | R646-F648 PolarHBondContact O-N 2.9Å; F648-P650 HydrophobicContact CD1-CG 4.34Å; F648-P650 HydrophobicContact CE1-CB 4.27Å; F648-P650 HydrophobicContact CE1-CG 4.16Å; F648-P650 WeakPolarHBondContact O-CD 3.32Å | ||
| 649 | V | 73.9 | Confident | 67.2 | Low | 49 Ų | 49 | 122.2 Ų | 122.2 | 30% | 0.297 | 61% | 0.612 | S | S | . | * | trans | -84.8 | 114.7 | 172.4 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | R647 E653 R654 | R647-V649 PolarHBondContact O-N 2.81Å; V649-E653 HydrophobicContact CG1-CB 3.48Å; V649-E653 VanDerWaalsContact CG1-CB 3.48Å; V649-R654 HydrophobicContact CB-CG 4.44Å; V649-R654 HydrophobicContact CG1-CG 3.9Å; V649-R654 PolarHBondContact O-NE 2.75Å; V649-R654 PolarHBondContact O-NH2 2.97Å | ||
| 650 | P | 74.5 | Confident | 69 | Low | 43 Ų | 43 | 112.7 Ų | 112.7 | 28% | 0.279 | 58% | 0.578 | S | S | . | * | trans | -57 | 153.8 | 175.3 | -24.3 | 35.4 | 0 | 0 | 0 | 111.9 | F648 S652 E653 | F648-P650 HydrophobicContact CD1-CG 4.34Å; F648-P650 HydrophobicContact CE1-CB 4.27Å; F648-P650 HydrophobicContact CE1-CG 4.16Å; F648-P650 WeakPolarHBondContact O-CD 3.32Å; P650-S652 PolarHBondContact O-N 3.19Å; P650-E653 WeakPolarHBondContact CD-OE2 3.29Å; P650-E653 PolarHBondContact O-N 3.28Å | ||
| 651 | A | 66.9 | Low | 70.2 | Confident | 67 Ų | 67 | 118.1 Ų | 118.1 | 55% | 0.554 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -20.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y655 | A651-Y655 WeakPolarHBondContact O-CD2 3.4Å; A651-Y655 WeakPolarHBondContact O-CE2 3.14Å |
| 652 | S | 66.6 | Low | 71.8 | Confident | 52 Ų | 52 | 117.6 Ų | 117.6 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -33.2 | 172.9 | 39.3 | 0 | 0 | 0 | 0 | 114.3 | P650 Q660 | P650-S652 PolarHBondContact O-N 3.19Å; S652-Q660 WeakPolarHBondContact O-CG 3.33Å |
| 653 | E | 73.1 | Confident | 73 | Confident | 105 Ų | 105 | 114.4 Ų | 114.4 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95 | -0 | -175.3 | -71.3 | 158.5 | -134.6 | 0 | 0 | 112.7 | V649 P650 Y655 | V649-E653 HydrophobicContact CG1-CB 3.48Å; V649-E653 VanDerWaalsContact CG1-CB 3.48Å; P650-E653 WeakPolarHBondContact CD-OE2 3.29Å; P650-E653 PolarHBondContact O-N 3.28Å; E653-Y655 VanDerWaalsContact C-N 3.29Å |
| 654 | R | 77.1 | Confident | 74.4 | Confident | 160 Ų | 160 | 108 Ų | 108 | 60% | 0.604 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -3 | 175 | -61.8 | -176.2 | -169.9 | -162.4 | 1.4 | 113.6 | V649 | V649-R654 HydrophobicContact CB-CG 4.44Å; V649-R654 HydrophobicContact CG1-CG 3.9Å; V649-R654 PolarHBondContact O-NE 2.75Å; V649-R654 PolarHBondContact O-NH2 2.97Å |
| 655 | Y | 74.1 | Confident | 75.9 | Confident | 102 Ų | 102 | 106.7 Ų | 106.7 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -105.5 | 151.4 | 178.2 | -66.5 | -93 | 0 | 0 | 0 | 109.9 | A651 E653 R663 | A651-Y655 WeakPolarHBondContact O-CD2 3.4Å; A651-Y655 WeakPolarHBondContact O-CE2 3.14Å; E653-Y655 VanDerWaalsContact C-N 3.29Å; Y655-R663 PolarHBondContact OH-NH1 3.03Å |
| 656 | P | 81.4 | Confident | 77.4 | Confident | 89 Ų | 89 | 104.5 Ų | 104.5 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | trans | -50.9 | 143.2 | 170.3 | -27.3 | 34.9 | 0 | 0 | 0 | 112.2 | A658 L659 Q660 | P656-A658 PolarHBondContact O-N 2.93Å; P656-L659 HydrophobicContact CG-CD1 4.49Å; P656-L659 PolarHBondContact O-N 2.88Å; P656-Q660 PolarHBondContact O-N 2.92Å | ||
| 657 | V | 75.6 | Confident | 78.6 | Confident | 103 Ų | 103 | 100.1 Ų | 100.1 | 62% | 0.624 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -55.9 | -32.8 | -170.2 | -179.2 | 0 | 0 | 0 | 0 | 113 | Q660 R661 | V657-Q660 PolarHBondContact O-N 3.07Å; V657-R661 WeakPolarHBondContact O-CG 3.4Å; V657-R661 PolarHBondContact O-N 3.16Å |
| 658 | A | 72.4 | Confident | 79.5 | Confident | 63 Ų | 63 | 94.6 Ų | 94.6 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.5 | -58.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P656 Q660 R661 D662 | P656-A658 PolarHBondContact O-N 2.93Å; A658-Q660 PolarHBondContact O-N 3.14Å; A658-Q660 VanDerWaalsContact O-N 3.16Å; A658-R661 CarbonylContact O-C 3.59Å; A658-R661 WeakPolarHBondContact O-CA 3.32Å; A658-R661 WeakPolarHBondContact O-CB 3.44Å; A658-R661 PolarHBondContact O-N 3.1Å; A658-D662 PolarHBondContact O-N 2.93Å |
| 659 | L | 78.1 | Confident | 80.3 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.3 | -25.3 | 178.8 | -69.5 | 170.3 | 0 | 0 | 0 | 113.4 | P656 R663 | P656-L659 HydrophobicContact CG-CD1 4.49Å; P656-L659 PolarHBondContact O-N 2.88Å; L659-R663 WeakPolarHBondContact O-CB 3.21Å; L659-R663 WeakPolarHBondContact O-CG 3.44Å; L659-R663 PolarHBondContact O-N 3.45Å; L659-R663 VanDerWaalsContact O-N 3.14Å |
| 660 | Q | 82.5 | Confident | 81.1 | Confident | 42 Ų | 42 | 100.2 Ų | 100.2 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 170.7 | -174.6 | 176.5 | 3 | 0 | 0 | 111.5 | S652 P656 V657 A658 Q664 | S652-Q660 WeakPolarHBondContact O-CG 3.33Å; P656-Q660 PolarHBondContact O-N 2.92Å; V657-Q660 PolarHBondContact O-N 3.07Å; A658-Q660 PolarHBondContact O-N 3.14Å; A658-Q660 VanDerWaalsContact O-N 3.16Å; Q660-Q664 WeakPolarHBondContact O-CG 3.42Å; Q660-Q664 PolarHBondContact O-N 3.19Å |
| 661 | R | 83.8 | Confident | 81.9 | Confident | 157 Ų | 157 | 103.6 Ų | 103.6 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.9 | -45 | 174.2 | -66.6 | -175.2 | 81.7 | 96.7 | -1.4 | 111.5 | V657 A658 R663 Q664 E665 | V657-R661 WeakPolarHBondContact O-CG 3.4Å; V657-R661 PolarHBondContact O-N 3.16Å; A658-R661 CarbonylContact O-C 3.59Å; A658-R661 WeakPolarHBondContact O-CA 3.32Å; A658-R661 WeakPolarHBondContact O-CB 3.44Å; A658-R661 PolarHBondContact O-N 3.1Å; R661-R663 PolarHBondContact O-N 3.39Å; R661-Q664 CarbonylContact O-C 3.57Å; R661-Q664 WeakPolarHBondContact O-CA 3.39Å; R661-Q664 WeakPolarHBondContact O-CB 3.42Å; R661-Q664 PolarHBondContact O-N 3.36Å; R661-E665 PolarHBondContact O-N 3.33Å |
| 662 | D | 84.6 | Confident | 82.9 | Confident | 86 Ų | 86 | 103.2 Ų | 103.2 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.3 | -38.8 | 177.6 | -53.6 | -23.8 | 0 | 0 | 0 | 111.4 | A658 S666 | A658-D662 PolarHBondContact O-N 2.93Å; D662-S666 WeakPolarHBondContact O-CB 3.44Å; D662-S666 PolarHBondContact O-N 3.38Å |
| 663 | R | 78.9 | Confident | 84 | Confident | 125 Ų | 125 | 106.2 Ų | 106.2 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.2 | -28.3 | 173.3 | -78.9 | -179 | 168.4 | -177.5 | 1.5 | 114.3 | Y655 L659 R661 R667 | Y655-R663 PolarHBondContact OH-NH1 3.03Å; L659-R663 WeakPolarHBondContact O-CB 3.21Å; L659-R663 WeakPolarHBondContact O-CG 3.44Å; L659-R663 PolarHBondContact O-N 3.45Å; L659-R663 VanDerWaalsContact O-N 3.14Å; R661-R663 PolarHBondContact O-N 3.39Å; R663-R667 VanDerWaalsContact O-CG 3.32Å; R663-R667 WeakPolarHBondContact O-CG 3.36Å; R663-R667 PolarHBondContact O-N 2.95Å; R663-R667 PolarHBondContact O-NE 2.79Å |
| 664 | Q | 86.6 | Confident | 84.9 | Confident | 82 Ų | 82 | 106.2 Ų | 106.2 | 38% | 0.383 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.9 | -49.2 | 170.9 | -76.6 | 167.2 | -25.8 | 0 | 0 | 109.8 | Q660 R661 R667 L668 | Q660-Q664 WeakPolarHBondContact O-CG 3.42Å; Q660-Q664 PolarHBondContact O-N 3.19Å; R661-Q664 CarbonylContact O-C 3.57Å; R661-Q664 WeakPolarHBondContact O-CA 3.39Å; R661-Q664 WeakPolarHBondContact O-CB 3.42Å; R661-Q664 PolarHBondContact O-N 3.36Å; Q664-R667 PolarHBondContact O-N 2.89Å; Q664-L668 WeakPolarHBondContact O-CG 3.29Å; Q664-L668 PolarHBondContact O-N 3.14Å |
| 665 | E | 88.4 | Confident | 85.4 | Confident | 89 Ų | 89 | 103 Ų | 103 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 178.3 | -165.1 | -174.1 | 143.9 | 0 | 0 | 112 | R661 R667 L668 R669 | R661-E665 PolarHBondContact O-N 3.33Å; E665-R667 VanDerWaalsContact C-N 3.26Å; E665-R667 PolarHBondContact O-N 2.89Å; E665-L668 PolarHBondContact O-N 3.46Å; E665-L668 VanDerWaalsContact O-N 3.14Å; E665-R669 HydrophobicContact CG-CG 4.36Å; E665-R669 WeakPolarHBondContact O-CB 3.45Å; E665-R669 WeakPolarHBondContact O-CG 3.28Å; E665-R669 PolarHBondContact O-N 3.19Å; E665-R669 IonicContact OE1-CZ 3.88Å; E665-R669 IonicContact OE1-NE 3.38Å; E665-R669 PolarHBondContact OE1-NE 2.83Å; E665-R669 IonicContact OE1-NH2 2.87Å; E665-R669 PolarHBondContact OE1-NH2 2.82Å |
| 666 | S | 90.3 | Very high | 86 | Confident | 71 Ų | 71 | 100.5 Ų | 100.5 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -36.1 | 175.3 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | D662 R670 | D662-S666 WeakPolarHBondContact O-CB 3.44Å; D662-S666 PolarHBondContact O-N 3.38Å; S666-R670 WeakPolarHBondContact O-CB 3.22Å; S666-R670 PolarHBondContact O-N 2.94Å |
| 667 | R | 92.8 | Very high | 86.2 | Confident | 139 Ų | 139 | 100.7 Ų | 100.7 | 53% | 0.525 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71 | -41.8 | 173.9 | -75.6 | 178.9 | -65.4 | 177.8 | 6.2 | 112.2 | R663 Q664 E665 R670 Q671 | R663-R667 VanDerWaalsContact O-CG 3.32Å; R663-R667 WeakPolarHBondContact O-CG 3.36Å; R663-R667 PolarHBondContact O-N 2.95Å; R663-R667 PolarHBondContact O-NE 2.79Å; Q664-R667 PolarHBondContact O-N 2.89Å; E665-R667 VanDerWaalsContact C-N 3.26Å; E665-R667 PolarHBondContact O-N 2.89Å; R667-R670 PolarHBondContact O-N 2.73Å; R667-Q671 WeakPolarHBondContact O-CB 3.4Å; R667-Q671 WeakPolarHBondContact O-CG 3.4Å; R667-Q671 PolarHBondContact O-N 3.25Å |
| 668 | L | 93.4 | Very high | 86.3 | Confident | 109 Ų | 109 | 102 Ų | 102 | 57% | 0.571 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 176.4 | -69.9 | 169.6 | 0 | 0 | 0 | 111.6 | Q664 E665 R670 Q671 A672 | Q664-L668 WeakPolarHBondContact O-CG 3.29Å; Q664-L668 PolarHBondContact O-N 3.14Å; E665-L668 PolarHBondContact O-N 3.46Å; E665-L668 VanDerWaalsContact O-N 3.14Å; L668-R670 PolarHBondContact O-N 3.42Å; L668-Q671 PolarHBondContact O-N 3.34Å; L668-A672 WeakPolarHBondContact O-CB 3.43Å; L668-A672 PolarHBondContact O-N 2.84Å |
| 669 | R | 92.5 | Very high | 86.4 | Confident | 169 Ų | 169 | 107.5 Ų | 107.5 | 64% | 0.638 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -56.8 | -47.7 | 171.7 | -74.3 | 178.4 | -180 | -122.3 | 7.4 | 111 | E665 Q671 A672 E673 | E665-R669 HydrophobicContact CG-CG 4.36Å; E665-R669 WeakPolarHBondContact O-CB 3.45Å; E665-R669 WeakPolarHBondContact O-CG 3.28Å; E665-R669 PolarHBondContact O-N 3.19Å; E665-R669 IonicContact OE1-CZ 3.88Å; E665-R669 IonicContact OE1-NE 3.38Å; E665-R669 PolarHBondContact OE1-NE 2.83Å; E665-R669 IonicContact OE1-NH2 2.87Å; E665-R669 PolarHBondContact OE1-NH2 2.82Å; R669-Q671 PolarHBondContact O-N 2.73Å; R669-A672 PolarHBondContact O-N 2.86Å; R669-E673 VanDerWaalsContact O-CB 3.29Å; R669-E673 WeakPolarHBondContact O-CB 3.35Å; R669-E673 PolarHBondContact O-N 2.88Å |
| 670 | R | 89.8 | Confident | 85.4 | Confident | 165 Ų | 165 | 108.1 Ų | 108.1 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -34.5 | 175.7 | -177.1 | 175.7 | -72.2 | -170.1 | -2 | 113.1 | S666 R667 L668 L674 | S666-R670 WeakPolarHBondContact O-CB 3.22Å; S666-R670 PolarHBondContact O-N 2.94Å; R667-R670 PolarHBondContact O-N 2.73Å; L668-R670 PolarHBondContact O-N 3.42Å; R670-L674 HydrophobicContact CG-CD1 4.15Å; R670-L674 HydrophobicContact CG-CG 4.45Å; R670-L674 WeakPolarHBondContact O-CB 3.45Å; R670-L674 VanDerWaalsContact O-CG 3.25Å; R670-L674 WeakPolarHBondContact O-CG 3.45Å; R670-L674 PolarHBondContact O-N 2.82Å |
| 671 | Q | 91.6 | Very high | 83.8 | Confident | 113 Ų | 113 | 115.1 Ų | 115.1 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 174.1 | -76.9 | 172.6 | -13 | 0 | 0 | 111.3 | R667 L668 R669 L674 L675 | R667-Q671 WeakPolarHBondContact O-CB 3.4Å; R667-Q671 WeakPolarHBondContact O-CG 3.4Å; R667-Q671 PolarHBondContact O-N 3.25Å; L668-Q671 PolarHBondContact O-N 3.34Å; R669-Q671 PolarHBondContact O-N 2.73Å; Q671-L674 PolarHBondContact O-N 3.44Å; Q671-L675 WeakPolarHBondContact O-CB 3.31Å; Q671-L675 VanDerWaalsContact O-CG 3.3Å; Q671-L675 WeakPolarHBondContact O-CG 3.49Å; Q671-L675 PolarHBondContact O-N 3.07Å |
| 672 | A | 87.2 | Confident | 82.1 | Confident | 60 Ų | 60 | 113.4 Ų | 113.4 | 50% | 0.496 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -40.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | L668 R669 L675 A676 | L668-A672 WeakPolarHBondContact O-CB 3.43Å; L668-A672 PolarHBondContact O-N 2.84Å; R669-A672 PolarHBondContact O-N 2.86Å; A672-L675 PolarHBondContact O-N 3.39Å; A672-A676 VanDerWaalsContact O-CB 3.29Å; A672-A676 WeakPolarHBondContact O-CB 3.29Å; A672-A676 PolarHBondContact O-N 2.97Å |
| 673 | E | 90.2 | Very high | 80 | Confident | 114 Ų | 114 | 114.6 Ų | 114.6 | 53% | 0.533 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.1 | -46.7 | 173 | -177.5 | -173 | -175 | 0 | 0 | 111.7 | R669 A676 L677 | R669-E673 VanDerWaalsContact O-CB 3.29Å; R669-E673 WeakPolarHBondContact O-CB 3.35Å; R669-E673 PolarHBondContact O-N 2.88Å; E673-A676 PolarHBondContact O-N 3.06Å; E673-L677 HydrophobicContact CG-CD1 4.33Å; E673-L677 WeakPolarHBondContact O-CB 3.43Å; E673-L677 VanDerWaalsContact O-CG 3.29Å; E673-L677 WeakPolarHBondContact O-CG 3.26Å; E673-L677 PolarHBondContact O-N 3.15Å |
| 674 | L | 91.6 | Very high | 78 | Confident | 105 Ų | 105 | 120.1 Ų | 120.1 | 55% | 0.55 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.5 | -38 | 176 | -73.7 | 169.3 | 0 | 0 | 0 | 112.5 | R670 Q671 L677 Q678 | R670-L674 HydrophobicContact CG-CD1 4.15Å; R670-L674 HydrophobicContact CG-CG 4.45Å; R670-L674 WeakPolarHBondContact O-CB 3.45Å; R670-L674 VanDerWaalsContact O-CG 3.25Å; R670-L674 WeakPolarHBondContact O-CG 3.45Å; R670-L674 PolarHBondContact O-N 2.82Å; Q671-L674 PolarHBondContact O-N 3.44Å; L674-L677 PolarHBondContact O-N 3.01Å; L674-Q678 WeakPolarHBondContact O-CB 3.3Å; L674-Q678 PolarHBondContact O-N 2.96Å |
| 675 | L | 87.8 | Confident | 75.4 | Confident | 94 Ų | 94 | 121.8 Ų | 121.8 | 49% | 0.492 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.4 | -34.9 | 174.3 | -73.2 | 169.5 | 0 | 0 | 0 | 112.2 | Q671 A672 Q678 K679 | Q671-L675 WeakPolarHBondContact O-CB 3.31Å; Q671-L675 VanDerWaalsContact O-CG 3.3Å; Q671-L675 WeakPolarHBondContact O-CG 3.49Å; Q671-L675 PolarHBondContact O-N 3.07Å; A672-L675 PolarHBondContact O-N 3.39Å; L675-Q678 PolarHBondContact O-N 3.37Å; L675-K679 WeakPolarHBondContact O-CB 3.31Å; L675-K679 VanDerWaalsContact O-CG 3.32Å; L675-K679 WeakPolarHBondContact O-CG 3.18Å; L675-K679 PolarHBondContact O-N 3.01Å |
| 676 | A | 87.6 | Confident | 72.9 | Confident | 49 Ų | 49 | 126.3 Ų | 126.3 | 41% | 0.405 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.9 | -50.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | A672 E673 Q678 K679 T680 | A672-A676 VanDerWaalsContact O-CB 3.29Å; A672-A676 WeakPolarHBondContact O-CB 3.29Å; A672-A676 PolarHBondContact O-N 2.97Å; E673-A676 PolarHBondContact O-N 3.06Å; A676-Q678 PolarHBondContact O-N 3.35Å; A676-K679 CarbonylContact O-C 3.54Å; A676-K679 WeakPolarHBondContact O-CA 3.44Å; A676-K679 PolarHBondContact O-N 3.04Å; A676-T680 WeakPolarHBondContact O-CG2 3.42Å; A676-T680 PolarHBondContact O-N 2.78Å; A676-T680 PolarHBondContact O-OG1 2.77Å |
| 677 | L | 84.3 | Confident | 70.3 | Confident | 93 Ų | 93 | 130.6 Ų | 130.6 | 49% | 0.487 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61 | -28.7 | 174.9 | -70.9 | 170.8 | 0 | 0 | 0 | 113.3 | E673 L674 T680 R681 | E673-L677 HydrophobicContact CG-CD1 4.33Å; E673-L677 WeakPolarHBondContact O-CB 3.43Å; E673-L677 VanDerWaalsContact O-CG 3.29Å; E673-L677 WeakPolarHBondContact O-CG 3.26Å; E673-L677 PolarHBondContact O-N 3.15Å; L674-L677 PolarHBondContact O-N 3.01Å; L677-T680 WeakPolarHBondContact CA-OG1 3.3Å; L677-R681 WeakPolarHBondContact O-CG 3.36Å; L677-R681 PolarHBondContact O-N 2.95Å |
| 678 | Q | 78.4 | Confident | 67.5 | Low | 129 Ų | 129 | 129.6 Ų | 129.6 | 60% | 0.603 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.8 | -39.5 | 171.3 | -173.5 | 177.1 | 4.2 | 0 | 0 | 111.7 | L674 L675 A676 | L674-Q678 WeakPolarHBondContact O-CB 3.3Å; L674-Q678 PolarHBondContact O-N 2.96Å; L675-Q678 PolarHBondContact O-N 3.37Å; A676-Q678 PolarHBondContact O-N 3.35Å |
| 679 | K | 73.3 | Confident | 64.7 | Low | 179 Ų | 179 | 128.8 Ų | 128.8 | 78% | 0.778 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -77 | -24.4 | 177.9 | -71.9 | 176.4 | 178 | -172.7 | 0 | 114 | L675 A676 | L675-K679 WeakPolarHBondContact O-CB 3.31Å; L675-K679 VanDerWaalsContact O-CG 3.32Å; L675-K679 WeakPolarHBondContact O-CG 3.18Å; L675-K679 PolarHBondContact O-N 3.01Å; A676-K679 CarbonylContact O-C 3.54Å; A676-K679 WeakPolarHBondContact O-CA 3.44Å; A676-K679 PolarHBondContact O-N 3.04Å |
| 680 | T | 58.8 | Low | 62.1 | Low | 100 Ų | 100 | 126.8 Ų | 126.8 | 61% | 0.613 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 2.4 | 176.1 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | A676 L677 P682 | A676-T680 WeakPolarHBondContact O-CG2 3.42Å; A676-T680 PolarHBondContact O-N 2.78Å; A676-T680 PolarHBondContact O-OG1 2.77Å; L677-T680 WeakPolarHBondContact CA-OG1 3.3Å; T680-P682 WeakPolarHBondContact O-CD 3.36Å |
| 681 | R | 48.7 | Very low | 59.3 | Low | 189 Ų | 189 | 128.3 Ų | 128.3 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -69 | 121 | 161 | -81.4 | 167.5 | -175.9 | -168.1 | -0.3 | 107.5 | L677 S683 | L677-R681 WeakPolarHBondContact O-CG 3.36Å; L677-R681 PolarHBondContact O-N 2.95Å; R681-S683 PolarHBondContact O-N 3.1Å |
| 682 | P | 48.4 | Very low | 56.6 | Low | 122 Ų | 122 | 131.7 Ų | 131.7 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 138.8 | 169.5 | 26.8 | -33.3 | 0 | 0 | 0 | 108.8 | T680 R684 | T680-P682 WeakPolarHBondContact O-CD 3.36Å; P682-R684 PolarHBondContact O-N 3.2Å |
| 683 | S | 39.1 | Very low | 53.8 | Low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 119.8 | 170.5 | 46.6 | 0 | 0 | 0 | 0 | 108.9 | R681 T685 | R681-S683 PolarHBondContact O-N 3.1Å; S683-T685 PolarHBondContact O-N 3.48Å |
| 684 | R | 37.2 | Very low | 51.5 | Low | 242 Ų | 242 | 137.1 Ų | 137.1 | 91% | 0.913 | 73% | 0.73 | S | S | * | * | trans | -65.5 | 101 | 170.6 | 179.8 | -175.2 | -179.3 | -171.3 | 0.1 | 107.8 | P682 E686 | P682-R684 PolarHBondContact O-N 3.2Å; R684-E686 PolarHBondContact O-N 3.01Å | ||
| 685 | T | 32.5 | Very low | 48.6 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | trans | -50.4 | 130.8 | 171.9 | -43.2 | 0 | 0 | 0 | 0 | 109.4 | S683 | S683-T685 PolarHBondContact O-N 3.48Š| ||
| 686 | E | 36.3 | Very low | 45.9 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -67.8 | 144.5 | 169 | -67 | -159 | 131.2 | 0 | 0 | 110 | R684 | R684-E686 PolarHBondContact O-N 3.01Š| ||
| 687 | L | 34.2 | Very low | 43 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -112.1 | 142.4 | 164 | -76.9 | 170.1 | 0 | 0 | 0 | 107.6 | ||||
| 688 | P | 35.7 | Very low | 41 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 153.6 | -167.6 | 28.4 | -36.1 | 0 | 0 | 0 | 112.7 | ||
| 689 | A | 34.2 | Very low | 38.7 | Very low | 91 Ų | 91 | 151.9 Ų | 151.9 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 132.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 690 | P | 36.3 | Very low | 36.7 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 156.5 | 163.6 | 32.1 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 691 | Q | 32.8 | Very low | 35.4 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 171.9 | -169.4 | -70.1 | 178.8 | -63.6 | 0 | 0 | 114.5 | ||
| 692 | Q | 34.7 | Very low | 34.7 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -66 | 148.7 | -173.5 | -54.8 | 159 | 12.6 | 0 | 0 | 113.3 | ||
| 693 | E | 27.9 | Very low | 33.8 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -121.8 | 148.3 | 133.3 | -72.8 | -159.4 | 141.9 | 0 | 0 | 109 | ||||
| 694 | A | 41.1 | Very low | 33.2 | Very low | 87 Ų | 87 | 150.5 Ų | 150.5 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -100.9 | 160.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 695 | R | 32.3 | Very low | 33 | Very low | 222 Ų | 222 | 144.6 Ų | 144.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | 176 | 129.2 | 120.9 | -83.4 | -101 | 179.7 | -174.9 | 0 | 112.7 | |||||
| 696 | L | 30.3 | Very low | 33 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 64.2 | 117.9 | 145.8 | -56.7 | 171.5 | 0 | 0 | 0 | 120.8 | ||||
| 697 | C | 26.8 | Very low | 33.4 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -80.4 | 167.7 | 150.7 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 698 | P | 42.4 | Very low | 33.1 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | -129.6 | -167.7 | 111.2 | 38.1 | -31.5 | 0 | 0 | 0 | 113.8 | |||||
| 699 | N | 30.6 | Very low | 32.9 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -131.2 | 159.2 | -155.5 | -175.1 | 18.3 | 0 | 0 | 0 | 113.6 | ||||
| 700 | G | 29.4 | Very low | 32.7 | Very low | 61 Ų | 61 | 147.1 Ų | 147.1 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | 165.7 | 106 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 701 | Q | 33.2 | Very low | 32.4 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | 63.9 | 135.3 | 69.9 | -62.6 | -155.8 | -11.7 | 0 | 0 | 113.6 | |||||
| 702 | Q | 33 | Very low | 32.3 | Very low | 146 Ų | 146 | 145 Ų | 145 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | cis | -166.2 | 145.8 | 5.2 | -124 | -175.9 | 61.8 | 0 | 0 | 112.1 | ||||
| 703 | S | 30 | Very low | 32 | Very low | 100 Ų | 100 | 141.8 Ų | 141.8 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 67.1 | 170.6 | 149 | 91.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 704 | R | 26.8 | Very low | 32 | Very low | 212 Ų | 212 | 135.1 Ų | 135.1 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | cis | -165.2 | 160 | -21.2 | -119 | 168.9 | 122.2 | -142 | 2.7 | 111 | ||||
| 705 | T | 33.2 | Very low | 31.8 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | 51.9 | 122.5 | 152.2 | 53.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 706 | S | 31.1 | Very low | 31.7 | Very low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -71.9 | 158.7 | 148.4 | -35.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 707 | P | 45 | Very low | 31.7 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | -163.9 | 141.8 | 89.6 | 39.4 | -17.1 | 0 | 0 | 0 | 120.4 | |||||
| 708 | T | 28.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 64.4 | 158.3 | 137.8 | 67.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 709 | K | 31 | Very low | 31.5 | Very low | 193 Ų | 193 | 136.6 Ų | 136.6 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | 79.2 | 124.8 | 168.6 | -54.8 | 171.5 | -171.6 | 174.3 | 0 | 114.3 | ||||
| 710 | K | 29.3 | Very low | 31.6 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | cis | 94 | 142 | 34.3 | -171.2 | -176.6 | 177.5 | -168.6 | 0 | 111.9 | ||||
| 711 | V | 30.4 | Very low | 31.8 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 94.7 | 145.8 | -178.7 | 176.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 712 | E | 30.9 | Very low | 31.8 | Very low | 154 Ų | 154 | 136 Ų | 136 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | -171.9 | 157.2 | -38.6 | -159.4 | 164.6 | 145.7 | 0 | 0 | 108.1 | ||||
| 713 | S | 28.9 | Very low | 31.7 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | trans | 61.9 | 149.8 | 168.8 | -63.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 714 | G | 27.4 | Very low | 31.7 | Very low | 61 Ų | 61 | 138.2 Ų | 138.2 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | cis | 149.4 | 144.6 | -10.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 715 | L | 36.3 | Very low | 31.9 | Very low | 172 Ų | 172 | 140 Ų | 140 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | 68.6 | 160.1 | 165.6 | -53.3 | -177.5 | 0 | 0 | 0 | 115.8 | ||||
| 716 | K | 31.1 | Very low | 32 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | cis | -173.4 | 151.7 | -24.8 | 173.6 | 179.3 | -176.5 | -176.5 | 0 | 108.6 | ||||
| 717 | G | 29.4 | Very low | 32.8 | Very low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | 98.9 | 127.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 718 | N | 32.2 | Very low | 31.9 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | cis | 74 | 102.7 | 10.9 | -155.1 | 97.4 | 0 | 0 | 0 | 117.1 | ||||
| 719 | I | 34.6 | Very low | 32 | Very low | 168 Ų | 168 | 138 Ų | 138 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -157.6 | 150.3 | 142 | -101.2 | 154.5 | 0 | 0 | 0 | 107.5 | ||||
| 720 | D | 31.2 | Very low | 32.1 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -103.3 | -176.7 | -167 | -67.6 | -85.8 | 0 | 0 | 0 | 114.4 | ||||
| 721 | S | 35.1 | Very low | 32.1 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | 93.1 | 108.4 | 144.7 | -89.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 722 | D | 31.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 66% | 0.658 | 79% | 0.787 | S | S | * | * | 99.6 | 130.9 | 112.9 | -89.6 | -71.3 | 0 | 0 | 0 | 124 | |||||
| 723 | R | 30.9 | Very low | 32.2 | Very low | 219 Ų | 219 | 139.5 Ų | 139.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | 67.4 | 78.6 | 129.5 | -163 | 177.9 | -68.8 | -171.3 | -4.9 | 121.3 | |||||
| 724 | G | 31 | Very low | 32.2 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | 72.4 | 148.4 | 95 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 725 | R | 31.6 | Very low | 32.6 | Very low | 248 Ų | 248 | 141 Ų | 141 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | 90.5 | 121.8 | 161.3 | -145.9 | 177.8 | -154.5 | -93.1 | 4.9 | 118.1 | ||||
| 726 | S | 35.4 | Very low | 32.4 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -83.2 | 168.8 | 175.1 | -27.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 727 | P | 46.6 | Very low | 32.5 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | -155.1 | 172.3 | 71.1 | 42.8 | -22.9 | 0 | 0 | 0 | 119.5 | |||||
| 728 | A | 26.7 | Very low | 33.3 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | 77.4 | 134.8 | 144 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 729 | A | 30.2 | Very low | 33.9 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 81.9 | 93.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 730 | Q | 32.7 | Very low | 34.5 | Very low | 199 Ų | 199 | 134 Ų | 134 | 93% | 0.93 | 80% | 0.798 | S | S | * | * | 48.1 | 113.6 | 129 | -61.6 | -179.8 | -3.7 | 0 | 0 | 122.3 | |||||
| 731 | S | 29.1 | Very low | 34.9 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | -161.9 | 177.7 | 107 | -161.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 732 | Q | 34.3 | Very low | 35.5 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -109.6 | 141.2 | -162.5 | -52.5 | 177.6 | 13.7 | 0 | 0 | 114.9 | ||||
| 733 | Q | 29.2 | Very low | 36 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | -176 | 169.6 | 111.7 | -96.5 | 176.6 | 7.8 | 0 | 0 | 111.6 | |||||
| 734 | A | 30.2 | Very low | 36.8 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -86.8 | 168.8 | -161.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 735 | P | 36 | Very low | 37.9 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | -149.9 | 171 | 91.4 | 41.1 | -25.4 | 0 | 0 | 0 | 117.4 | |||||
| 736 | S | 30.9 | Very low | 38.6 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | 72.3 | 137.8 | 156.4 | 71 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 737 | S | 34.4 | Very low | 39 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -118.9 | 133.9 | -177.7 | 47.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 738 | P | 46.4 | Very low | 39.3 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 164.4 | 161.2 | 34.7 | -32.2 | 0 | 0 | 0 | 111.3 | ||
| 739 | P | 43.8 | Very low | 39.8 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 153.9 | -178.4 | 28.8 | -35.9 | 0 | 0 | 0 | 113.4 | ||
| 740 | P | 46.8 | Very low | 40.4 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 138.5 | -174.7 | 30 | -35.3 | 0 | 0 | 0 | 113 | ||
| 741 | A | 38.9 | Very low | 41 | Very low | 92 Ų | 92 | 144 Ų | 144 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 140.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 742 | L | 48.2 | Very low | 42.2 | Very low | 181 Ų | 181 | 146.3 Ų | 146.3 | 95% | 0.948 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 138 | 179 | -72.9 | 168.9 | 0 | 0 | 0 | 111.6 | ||
| 743 | E | 42 | Very low | 42.9 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 145.3 | -170.5 | -62.1 | 177.5 | 121.5 | 0 | 0 | 113.1 | ||
| 744 | F | 48.2 | Very low | 43.6 | Very low | 182 Ų | 182 | 144 Ų | 144 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -90.2 | 111 | 169.3 | 170.6 | -96.2 | 0 | 0 | 0 | 109.3 | P746 | F744-P746 HydrophobicContact CD1-CG 4.18Å; F744-P746 HydrophobicContact CE1-CB 4.19Å; F744-P746 HydrophobicContact CE1-CG 4.01Å; F744-P746 WeakPolarHBondContact O-CD 3.2Å | ||
| 745 | I | 53.7 | Low | 44.2 | Very low | 135 Ų | 135 | 144.3 Ų | 144.3 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -89.2 | 114.7 | 178.4 | -57.9 | 176.7 | 0 | 0 | 0 | 109.7 | Y747 | I745-Y747 PolarHBondContact O-N 3.25Š| ||
| 746 | P | 46.6 | Very low | 44.5 | Very low | 88 Ų | 88 | 146.9 Ų | 146.9 | 57% | 0.571 | 81% | 0.806 | S | S | * | * | trans | -81.1 | 118.6 | 177.1 | -6.9 | 25.6 | 0 | 0 | 0 | 110.9 | F744 L748 | F744-P746 HydrophobicContact CD1-CG 4.18Å; F744-P746 HydrophobicContact CE1-CB 4.19Å; F744-P746 HydrophobicContact CE1-CG 4.01Å; F744-P746 WeakPolarHBondContact O-CD 3.2Å; P746-L748 PolarHBondContact O-N 3.23Å | ||
| 747 | Y | 44.2 | Very low | 44.8 | Very low | 227 Ų | 227 | 148.1 Ų | 148.1 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 109.3 | 170.6 | -102.1 | -100.1 | 0 | 0 | 0 | 110.9 | I745 | I745-Y747 PolarHBondContact O-N 3.25Š| ||
| 748 | L | 52.5 | Low | 46 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 143.4 | 164.3 | -68 | 174.2 | 0 | 0 | 0 | 109.7 | P746 | P746-L748 PolarHBondContact O-N 3.23Š|
| 749 | R | 37.5 | Very low | 45.5 | Very low | 244 Ų | 244 | 149.9 Ų | 149.9 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 116.9 | 170.7 | -68.1 | -173.2 | -179 | 104.6 | -1.6 | 109.1 | ||
| 750 | T | 41.8 | Very low | 45.4 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.5 | 155.5 | 43.4 | 0 | 0 | 0 | 0 | 109 | ||
| 751 | A | 46.9 | Very low | 45.4 | Very low | 100 Ų | 100 | 152 Ų | 152 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | -128.2 | 61.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 752 | E | 53.1 | Low | 45.5 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -119.3 | 138.5 | 179.1 | -68.2 | -174.2 | -175.2 | 0 | 0 | 109.9 | ||||
| 753 | V | 49.3 | Very low | 44.7 | Very low | 127 Ų | 127 | 151.2 Ų | 151.2 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -98 | 120.4 | -173.2 | 176.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 754 | F | 43.2 | Very low | 44.6 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -125.7 | 108 | 162.2 | -109.9 | -87.8 | 0 | 0 | 0 | 109.5 | ||||
| 755 | S | 44.7 | Very low | 44.4 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -74.2 | 133.3 | 172.4 | -52.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 756 | L | 40.5 | Very low | 43.9 | Very low | 168 Ų | 168 | 145 Ų | 145 | 88% | 0.88 | 80% | 0.798 | S | S | * | * | trans | -125.4 | 130.5 | 161.6 | -73.6 | 174.3 | 0 | 0 | 0 | 108.2 | ||||
| 757 | D | 38.9 | Very low | 44.5 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 81% | 0.806 | S | S | * | * | trans | -96.7 | 132.1 | -165.5 | -159.4 | 26.5 | 0 | 0 | 0 | 110.2 | L759 | D757-L759 PolarHBondContact O-N 2.81Š| ||
| 758 | P | 58.7 | Low | 43.8 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -93.9 | 82.9 | -164.7 | 35.6 | -35.1 | 0 | 0 | 0 | 113.9 | ||||
| 759 | L | 36.4 | Very low | 42.9 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -140.6 | 137.8 | 172.1 | -75.3 | 178.8 | 0 | 0 | 0 | 114.7 | D757 | D757-L759 PolarHBondContact O-N 2.81Š| ||
| 760 | E | 41.5 | Very low | 42.9 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 67.4 | 163 | 160.8 | -57.2 | -145.2 | 132.2 | 0 | 0 | 119.7 | ||||
| 761 | P | 46.7 | Very low | 43.3 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | -133.7 | -175 | -69.5 | 39 | -21.5 | 0 | 0 | 0 | 114 | |||||
| 762 | A | 41.7 | Very low | 42.4 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 164.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 763 | N | 30.3 | Very low | 42 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -162.1 | 142.1 | 154.8 | -104.7 | -53.3 | 0 | 0 | 0 | 113.8 | ||||
| 764 | T | 41 | Very low | 42.6 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -135.1 | 149.1 | 172.4 | -34.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 765 | P | 43.4 | Very low | 42.6 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | -150.5 | -178 | 124.8 | 28.5 | -5.4 | 0 | 0 | 0 | 114.7 | |||||
| 766 | P | 43 | Very low | 42.4 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -122.4 | -112.3 | -147.8 | 26.8 | -0.6 | 0 | 0 | 0 | 118.9 | ||||
| 767 | P | 60 | Low | 41.9 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | -129.8 | 174.7 | -123.5 | 41.7 | -23 | 0 | 0 | 0 | 118.1 | |||||
| 768 | R | 29.4 | Very low | 41.7 | Very low | 240 Ų | 240 | 133 Ų | 133 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -159 | 157.3 | 170.7 | -86 | -169.7 | 166.3 | -165.8 | -6.4 | 110.9 | ||||
| 769 | T | 33.4 | Very low | 40.4 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | cis | -168.3 | 157.8 | -45.2 | 17.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 770 | H | 36 | Very low | 40.7 | Very low | 182 Ų | 182 | 132 Ų | 132 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -69.5 | 179.9 | -174.4 | -59 | -72.7 | 0 | 0 | 0 | 116 | ||||
| 771 | P | 51.5 | Low | 40.6 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | cis | -128.2 | -153.3 | 9.7 | 47 | -29 | 0 | 0 | 0 | 113.8 | ||||
| 772 | G | 28.7 | Very low | 40.6 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | cis | -175.7 | -179.6 | 4.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 773 | P | 43.6 | Very low | 40.8 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -132.3 | -165.4 | -165.3 | 42.7 | -26.1 | 0 | 0 | 0 | 115.8 | ||||
| 774 | P | 61.1 | Low | 41 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | -124.2 | -175.5 | -50.7 | 39.5 | -22.7 | 0 | 0 | 0 | 112.2 | |||||
| 775 | P | 44.8 | Very low | 41.2 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | -136.2 | 149.9 | 85.7 | 21.5 | 0.2 | 0 | 0 | 0 | 112.6 | |||||
| 776 | A | 39.1 | Very low | 41.1 | Very low | 93 Ų | 93 | 129 Ų | 129 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | 85.4 | 85.9 | 51.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 777 | E | 30.1 | Very low | 41.1 | Very low | 208 Ų | 208 | 131.9 Ų | 131.9 | 97% | 0.972 | 81% | 0.811 | S | S | * | * | trans | -156.4 | 179.5 | 139.7 | -127.5 | 179.3 | -132.1 | 0 | 0 | 110.5 | ||||
| 778 | A | 34.6 | Very low | 40.4 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -122.9 | 171.9 | -148.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 779 | S | 31.5 | Very low | 41.5 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 80.7 | 155.8 | 173.7 | 81.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 780 | S | 43.4 | Very low | 42.5 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -140.6 | 144.4 | -164.4 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 781 | P | 39.4 | Very low | 43.5 | Very low | 121 Ų | 121 | 125 Ų | 125 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -113.1 | 156.7 | 148.9 | 33.8 | -24.9 | 0 | 0 | 0 | 112.6 | ||||
| 782 | P | 45.6 | Very low | 43.4 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | -88.1 | 167.1 | -168.2 | 35.3 | -37.3 | 0 | 0 | 0 | 115 | ||||
| 783 | P | 46.3 | Very low | 44.6 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | trans | -100.1 | 149.7 | -167.1 | 37.5 | -35 | 0 | 0 | 0 | 115.4 | ||||
| 784 | G | 35.3 | Very low | 45.3 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | -164.3 | 153.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 785 | S | 44.7 | Very low | 45 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | cis | 164.7 | 138.1 | -20.4 | 41.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 786 | L | 42.5 | Very low | 45.3 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | trans | 140.1 | 96.7 | 156.9 | -79.6 | 162.8 | 0 | 0 | 0 | 112.3 | ||||
| 787 | H | 42 | Very low | 46.1 | Very low | 183 Ų | 183 | 128 Ų | 128 | 85% | 0.847 | 73% | 0.73 | S | S | * | * | -168.3 | 128.9 | 114.9 | -156.8 | 48.4 | 0 | 0 | 0 | 107.9 | |||||
| 788 | R | 44.4 | Very low | 47.3 | Very low | 185 Ų | 185 | 124.8 Ų | 124.8 | 70% | 0.698 | 73% | 0.727 | S | S | * | * | trans | -132.2 | 140.1 | 174.6 | -121.7 | -171.8 | -176.5 | -165.3 | 3.3 | 109.3 | H793 | R788-H793 PolarHBondContact NH1-CE1 3.5Å; R788-H793 VanDerWaalsContact NH1-CE1 3.28Å; R788-H793 PolarHBondContact NH1-NE2 2.74Å | ||
| 789 | D | 52.9 | Low | 48.2 | Very low | 83 Ų | 83 | 122 Ų | 122 | 44% | 0.444 | 71% | 0.707 | S | S | . | * | trans | -65.9 | 124.1 | -171.1 | -167.4 | -31.7 | 0 | 0 | 0 | 112.1 | L791 L792 | D789-L791 PolarHBondContact O-N 2.89Å; D789-L791 WeakPolarHBondContact OD1-CB 3.34Å; D789-L791 PolarHBondContact OD1-N 3.46Å; D789-L792 PolarHBondContact O-N 3.33Å | ||
| 790 | P | 54.3 | Low | 50 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 60% | 0.604 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -57.2 | -25.9 | 175.4 | -26 | 35.7 | 0 | 0 | 0 | 114.9 | L792 H793 | P790-L792 PolarHBondContact O-N 2.82Å; P790-H793 PolarHBondContact O-N 3.11Å |
| 791 | L | 56.6 | Low | 51.8 | Low | 155 Ų | 155 | 116.9 Ų | 116.9 | 81% | 0.812 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -68.4 | -17 | 180 | -64.9 | 177.4 | 0 | 0 | 0 | 113.3 | D789 | D789-L791 PolarHBondContact O-N 2.89Å; D789-L791 WeakPolarHBondContact OD1-CB 3.34Å; D789-L791 PolarHBondContact OD1-N 3.46Å |
| 792 | L | 51.2 | Low | 53.8 | Low | 126 Ų | 126 | 119.2 Ų | 119.2 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -105.7 | -0.8 | -179.1 | -59.8 | 177.9 | 0 | 0 | 0 | 113.7 | D789 P790 | D789-L792 PolarHBondContact O-N 3.33Å; P790-L792 PolarHBondContact O-N 2.82Å |
| 793 | H | 53.7 | Low | 56 | Low | 91 Ų | 91 | 118.2 Ų | 118.2 | 42% | 0.421 | 64% | 0.636 | S | S | . | * | trans | -137.9 | 78.7 | -174.8 | -76.9 | -74.4 | 0 | 0 | 0 | 113.1 | R788 P790 E795 M796 | R788-H793 PolarHBondContact NH1-CE1 3.5Å; R788-H793 VanDerWaalsContact NH1-CE1 3.28Å; R788-H793 PolarHBondContact NH1-NE2 2.74Å; P790-H793 PolarHBondContact O-N 3.11Å; H793-E795 PolarHBondContact O-N 2.88Å; H793-E795 VanDerWaalsContact O-N 3.1Å; H793-M796 HydrophobicContact CB-CG 4.12Å; H793-M796 PolarHBondContact O-N 2.64Å; H793-M796 VanDerWaalsContact O-N 3.15Å | ||
| 794 | P | 57 | Low | 58.2 | Low | 88 Ų | 88 | 116.2 Ų | 116.2 | 57% | 0.571 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -8.8 | -178.1 | 28.3 | -36.1 | 0 | 0 | 0 | 115 | S800 | P794-S800 WeakPolarHBondContact O-CB 3.47Å; P794-S800 PolarHBondContact O-OG 2.87Å |
| 795 | E | 55.4 | Low | 60.9 | Low | 159 Ų | 159 | 117.3 Ų | 117.3 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -23 | 174 | -59.2 | -160.1 | 136.7 | 0 | 0 | 113 | H793 L797 | H793-E795 PolarHBondContact O-N 2.88Å; H793-E795 VanDerWaalsContact O-N 3.1Å; E795-L797 PolarHBondContact O-N 2.83Å |
| 796 | M | 50.4 | Low | 63.2 | Low | 150 Ų | 150 | 115.6 Ų | 115.6 | 74% | 0.739 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -77.4 | -5 | -178.7 | -69.6 | -58 | -54.7 | 0 | 0 | 114.2 | H793 P798 | H793-M796 HydrophobicContact CB-CG 4.12Å; H793-M796 PolarHBondContact O-N 2.64Å; H793-M796 VanDerWaalsContact O-N 3.15Å; M796-P798 WeakPolarHBondContact O-CD 3.36Å |
| 797 | L | 56.8 | Low | 65.8 | Low | 101 Ų | 101 | 112.8 Ų | 112.8 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -77.7 | 121.6 | 179.6 | -84.9 | 163.2 | 0 | 0 | 0 | 111.6 | E795 G799 S800 | E795-L797 PolarHBondContact O-N 2.83Å; L797-G799 VanDerWaalsContact C-N 3.27Å; L797-G799 PolarHBondContact O-N 2.82Å; L797-S800 PolarHBondContact O-N 3.07Å |
| 798 | P | 54.7 | Low | 68.4 | Low | 141 Ų | 141 | 111.4 Ų | 111.4 | 92% | 0.916 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 82 | 175.5 | -21 | 35 | 0 | 0 | 0 | 111.9 | M796 | M796-P798 WeakPolarHBondContact O-CD 3.36Š|
| 799 | G | 53.8 | Low | 70.9 | Confident | 31 Ų | 31 | 104.1 Ų | 104.1 | 32% | 0.32 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 154.9 | -18.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L797 Q801 R802 Q803 | L797-G799 VanDerWaalsContact C-N 3.27Å; L797-G799 PolarHBondContact O-N 2.82Å; G799-Q801 PolarHBondContact O-N 2.91Å; G799-R802 WeakPolarHBondContact O-CA 3.32Å; G799-R802 WeakPolarHBondContact O-CB 3.24Å; G799-R802 PolarHBondContact O-N 3.26Å; G799-Q803 WeakPolarHBondContact O-CG 3.43Å; G799-Q803 PolarHBondContact O-N 2.82Å |
| 800 | S | 68.7 | Low | 73 | Confident | 15 Ų | 15 | 104.9 Ų | 104.9 | 11% | 0.105 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -54.1 | -49.3 | -179 | -163.1 | 0 | 0 | 0 | 0 | 112 | P794 L797 R802 Q803 Q804 | P794-S800 WeakPolarHBondContact O-CB 3.47Å; P794-S800 PolarHBondContact O-OG 2.87Å; L797-S800 PolarHBondContact O-N 3.07Å; S800-R802 VanDerWaalsContact C-N 3.33Å; S800-R802 PolarHBondContact O-N 3.35Å; S800-Q803 CarbonylContact O-C 3.57Å; S800-Q803 WeakPolarHBondContact O-CB 3.4Å; S800-Q803 PolarHBondContact O-N 2.91Å; S800-Q804 WeakPolarHBondContact O-CG 3.41Å; S800-Q804 PolarHBondContact O-N 2.98Å; S800-Q804 PolarHBondContact OG-NE2 2.82Å |
| 801 | Q | 81.4 | Confident | 75 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -53.1 | -46 | 173.5 | 179.1 | 62.1 | 23.4 | 0 | 0 | 113 | G799 Q803 Q804 E805 | G799-Q801 PolarHBondContact O-N 2.91Å; Q801-Q803 PolarHBondContact O-N 3.25Å; Q801-Q804 PolarHBondContact O-N 3.27Å; Q801-E805 PolarHBondContact NE2-OE1 2.76Å; Q801-E805 WeakPolarHBondContact O-CB 3.47Å; Q801-E805 WeakPolarHBondContact O-CG 3.18Å; Q801-E805 PolarHBondContact O-N 2.73Å |
| 802 | R | 83 | Confident | 76.9 | Confident | 170 Ų | 170 | 101.5 Ų | 101.5 | 64% | 0.642 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.4 | -35.1 | 178.8 | -177 | 178.5 | 175.8 | -83.5 | -3.1 | 111.8 | G799 S800 I806 | G799-R802 WeakPolarHBondContact O-CA 3.32Å; G799-R802 WeakPolarHBondContact O-CB 3.24Å; G799-R802 PolarHBondContact O-N 3.26Å; S800-R802 VanDerWaalsContact C-N 3.33Å; S800-R802 PolarHBondContact O-N 3.35Å; R802-I806 HydrophobicContact CG-CD1 4.15Å; R802-I806 WeakPolarHBondContact O-CB 3.18Å; R802-I806 WeakPolarHBondContact O-CD1 3.26Å; R802-I806 VanDerWaalsContact O-CG1 3.22Å; R802-I806 WeakPolarHBondContact O-CG1 3.46Å; R802-I806 PolarHBondContact O-N 2.94Å |
| 803 | Q | 91.8 | Very high | 79.1 | Confident | 104 Ų | 104 | 100.9 Ų | 100.9 | 49% | 0.486 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69 | -42.4 | 175.1 | -70.7 | 164.7 | -27.1 | 0 | 0 | 110.9 | G799 S800 Q801 I806 L807 | G799-Q803 WeakPolarHBondContact O-CG 3.43Å; G799-Q803 PolarHBondContact O-N 2.82Å; S800-Q803 CarbonylContact O-C 3.57Å; S800-Q803 WeakPolarHBondContact O-CB 3.4Å; S800-Q803 PolarHBondContact O-N 2.91Å; Q801-Q803 PolarHBondContact O-N 3.25Å; Q803-I806 PolarHBondContact O-N 3.13Å; Q803-L807 WeakPolarHBondContact O-CB 3.38Å; Q803-L807 VanDerWaalsContact O-CG 3.28Å; Q803-L807 WeakPolarHBondContact O-CG 3.31Å; Q803-L807 PolarHBondContact O-N 2.89Å |
| 804 | Q | 92.3 | Very high | 81.1 | Confident | 95 Ų | 95 | 105.4 Ų | 105.4 | 44% | 0.444 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 172.9 | -68.3 | -179.6 | 31.3 | 0 | 0 | 111.8 | S800 Q801 L807 R808 | S800-Q804 WeakPolarHBondContact O-CG 3.41Å; S800-Q804 PolarHBondContact O-N 2.98Å; S800-Q804 PolarHBondContact OG-NE2 2.82Å; Q801-Q804 PolarHBondContact O-N 3.27Å; Q804-L807 PolarHBondContact O-N 2.74Å; Q804-R808 VanDerWaalsContact O-CB 3.26Å; Q804-R808 WeakPolarHBondContact O-CB 3.39Å; Q804-R808 PolarHBondContact O-N 2.79Å |
| 805 | E | 90.8 | Very high | 83 | Confident | 90 Ų | 90 | 107.4 Ų | 107.4 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 174.1 | -78.1 | 172.8 | -167.7 | 0 | 0 | 112.8 | Q801 R808 G809 | Q801-E805 PolarHBondContact NE2-OE1 2.76Å; Q801-E805 WeakPolarHBondContact O-CB 3.47Å; Q801-E805 WeakPolarHBondContact O-CG 3.18Å; Q801-E805 PolarHBondContact O-N 2.73Å; E805-R808 PolarHBondContact O-N 3.48Å; E805-G809 PolarHBondContact O-N 3.35Å |
| 806 | I | 94.3 | Very high | 85 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 38% | 0.379 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 173.3 | -72.8 | 165 | 0 | 0 | 0 | 110.6 | R802 Q803 R808 G809 L810 | R802-I806 HydrophobicContact CG-CD1 4.15Å; R802-I806 WeakPolarHBondContact O-CB 3.18Å; R802-I806 WeakPolarHBondContact O-CD1 3.26Å; R802-I806 VanDerWaalsContact O-CG1 3.22Å; R802-I806 WeakPolarHBondContact O-CG1 3.46Å; R802-I806 PolarHBondContact O-N 2.94Å; Q803-I806 PolarHBondContact O-N 3.13Å; I806-R808 VanDerWaalsContact C-N 3.34Å; I806-R808 PolarHBondContact O-N 2.99Å; I806-G809 PolarHBondContact O-N 3.34Å; I806-L810 HydrophobicContact CG2-CD1 3.95Å; I806-L810 HydrophobicContact CG2-CG 4.44Å; I806-L810 WeakPolarHBondContact O-CB 3.17Å; I806-L810 VanDerWaalsContact O-CG 3.32Å; I806-L810 WeakPolarHBondContact O-CG 3.19Å; I806-L810 PolarHBondContact O-N 3.33Å |
| 807 | L | 96.8 | Very high | 87.2 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -39.2 | 177.4 | -72.1 | 168.7 | 0 | 0 | 0 | 111.8 | Q803 Q804 L810 A811 | Q803-L807 WeakPolarHBondContact O-CB 3.38Å; Q803-L807 VanDerWaalsContact O-CG 3.28Å; Q803-L807 WeakPolarHBondContact O-CG 3.31Å; Q803-L807 PolarHBondContact O-N 2.89Å; Q804-L807 PolarHBondContact O-N 2.74Å; L807-L810 PolarHBondContact O-N 2.71Å; L807-A811 WeakPolarHBondContact O-CB 3.29Å; L807-A811 PolarHBondContact O-N 2.73Å |
| 808 | R | 95.8 | Very high | 89.1 | Confident | 154 Ų | 154 | 99.2 Ų | 99.2 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 172.4 | -174.5 | -178.2 | 69 | 166.9 | -2.4 | 111.5 | Q804 E805 I806 A811 Q812 | Q804-R808 VanDerWaalsContact O-CB 3.26Å; Q804-R808 WeakPolarHBondContact O-CB 3.39Å; Q804-R808 PolarHBondContact O-N 2.79Å; E805-R808 PolarHBondContact O-N 3.48Å; I806-R808 VanDerWaalsContact C-N 3.34Å; I806-R808 PolarHBondContact O-N 2.99Å; R808-A811 PolarHBondContact O-N 2.76Å; R808-Q812 WeakPolarHBondContact O-CB 3.5Å; R808-Q812 WeakPolarHBondContact O-CG 3.27Å; R808-Q812 PolarHBondContact O-N 3.19Å |
| 809 | G | 97.1 | Very high | 91 | Very high | 32 Ų | 32 | 97.5 Ų | 97.5 | 33% | 0.33 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E805 I806 Q812 L813 | E805-G809 PolarHBondContact O-N 3.35Å; I806-G809 PolarHBondContact O-N 3.34Å; G809-Q812 PolarHBondContact O-N 2.95Å; G809-L813 WeakPolarHBondContact O-CB 3.46Å; G809-L813 PolarHBondContact O-N 3.18Å |
| 810 | L | 97.2 | Very high | 92.9 | Very high | 99 Ų | 99 | 102 Ų | 102 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -36.6 | 174.3 | -70.3 | 171.1 | 0 | 0 | 0 | 112.2 | I806 L807 L813 R814 | I806-L810 HydrophobicContact CG2-CD1 3.95Å; I806-L810 HydrophobicContact CG2-CG 4.44Å; I806-L810 WeakPolarHBondContact O-CB 3.17Å; I806-L810 VanDerWaalsContact O-CG 3.32Å; I806-L810 WeakPolarHBondContact O-CG 3.19Å; I806-L810 PolarHBondContact O-N 3.33Å; L807-L810 PolarHBondContact O-N 2.71Å; L810-L813 PolarHBondContact O-N 2.93Å; L810-R814 WeakPolarHBondContact O-CB 3.42Å; L810-R814 PolarHBondContact O-N 3.49Å |
| 811 | A | 95.7 | Very high | 94 | Very high | 58 Ų | 58 | 105.9 Ų | 105.9 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L807 R808 R814 Q815 | L807-A811 WeakPolarHBondContact O-CB 3.29Å; L807-A811 PolarHBondContact O-N 2.73Å; R808-A811 PolarHBondContact O-N 2.76Å; A811-R814 PolarHBondContact O-N 2.78Å; A811-Q815 WeakPolarHBondContact O-CB 3.4Å; A811-Q815 PolarHBondContact O-N 3.17Å |
| 812 | Q | 96.9 | Very high | 94.5 | Very high | 118 Ų | 118 | 107 Ų | 107 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 172.9 | -73.8 | 173.6 | -12.2 | 0 | 0 | 111.8 | R808 G809 Q815 G816 | R808-Q812 WeakPolarHBondContact O-CB 3.5Å; R808-Q812 WeakPolarHBondContact O-CG 3.27Å; R808-Q812 PolarHBondContact O-N 3.19Å; G809-Q812 PolarHBondContact O-N 2.95Å; Q812-Q815 PolarHBondContact O-N 3.3Å; Q812-G816 PolarHBondContact O-N 2.95Å |
| 813 | L | 97.6 | Very high | 94.9 | Very high | 114 Ų | 114 | 101.6 Ų | 101.6 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 175.4 | -176.4 | 62.2 | 0 | 0 | 0 | 111.5 | G809 L810 Q815 G816 L817 | G809-L813 WeakPolarHBondContact O-CB 3.46Å; G809-L813 PolarHBondContact O-N 3.18Å; L810-L813 PolarHBondContact O-N 2.93Å; L813-Q815 VanDerWaalsContact C-N 3.35Å; L813-Q815 PolarHBondContact O-N 2.99Å; L813-G816 PolarHBondContact O-N 2.99Å; L813-L817 VanDerWaalsContact O-CB 3.26Å; L813-L817 WeakPolarHBondContact O-CB 3.44Å; L813-L817 PolarHBondContact O-N 3.46Å |
| 814 | R | 96.1 | Very high | 94.8 | Very high | 186 Ų | 186 | 101.7 Ų | 101.7 | 70% | 0.702 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.4 | -42.7 | 174.3 | -178.1 | -178.8 | 177.9 | -168.9 | -0.4 | 111.6 | L810 A811 L817 L818 | L810-R814 WeakPolarHBondContact O-CB 3.42Å; L810-R814 PolarHBondContact O-N 3.49Å; A811-R814 PolarHBondContact O-N 2.78Å; R814-L817 PolarHBondContact O-N 2.89Å; R814-L818 HydrophobicContact CG-CD1 4.02Å; R814-L818 WeakPolarHBondContact O-CB 3.5Å; R814-L818 WeakPolarHBondContact O-CG 3.45Å; R814-L818 PolarHBondContact O-N 2.84Å |
| 815 | Q | 96.5 | Very high | 94.4 | Very high | 130 Ų | 130 | 101 Ų | 101 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -48.2 | 176.1 | -175.7 | -178.4 | 9.5 | 0 | 0 | 111.3 | A811 Q812 L813 L817 L818 Q819 | A811-Q815 WeakPolarHBondContact O-CB 3.4Å; A811-Q815 PolarHBondContact O-N 3.17Å; Q812-Q815 PolarHBondContact O-N 3.3Å; L813-Q815 VanDerWaalsContact C-N 3.35Å; L813-Q815 PolarHBondContact O-N 2.99Å; Q815-L817 VanDerWaalsContact C-N 3.34Å; Q815-L817 PolarHBondContact O-N 2.72Å; Q815-L818 PolarHBondContact O-N 3.3Å; Q815-Q819 WeakPolarHBondContact O-CB 3.39Å; Q815-Q819 PolarHBondContact O-N 2.72Å |
| 816 | G | 97.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 100 Ų | 100 | 37% | 0.371 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q812 L813 Q819 K820 | Q812-G816 PolarHBondContact O-N 2.95Å; L813-G816 PolarHBondContact O-N 2.99Å; G816-Q819 PolarHBondContact O-N 3.21Å; G816-K820 WeakPolarHBondContact O-CB 3.45Å; G816-K820 WeakPolarHBondContact O-CG 3.08Å; G816-K820 PolarHBondContact O-N 3.08Å |
| 817 | L | 97.4 | Very high | 92.7 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73 | -42.2 | 178.6 | -158.3 | 158.6 | 0 | 0 | 0 | 111.5 | L813 R814 Q815 Q819 K820 Q821 | L813-L817 VanDerWaalsContact O-CB 3.26Å; L813-L817 WeakPolarHBondContact O-CB 3.44Å; L813-L817 PolarHBondContact O-N 3.46Å; R814-L817 PolarHBondContact O-N 2.89Å; Q815-L817 VanDerWaalsContact C-N 3.34Å; Q815-L817 PolarHBondContact O-N 2.72Å; L817-Q819 VanDerWaalsContact C-N 3.32Å; L817-Q819 PolarHBondContact O-N 2.98Å; L817-K820 PolarHBondContact O-N 3.46Å; L817-Q821 PolarHBondContact O-N 3.48Å |
| 818 | L | 96.4 | Very high | 91.3 | Very high | 90 Ų | 90 | 101.3 Ų | 101.3 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 170.1 | -78.2 | 170 | 0 | 0 | 0 | 112.1 | R814 Q815 Q821 K822 | R814-L818 HydrophobicContact CG-CD1 4.02Å; R814-L818 WeakPolarHBondContact O-CB 3.5Å; R814-L818 WeakPolarHBondContact O-CG 3.45Å; R814-L818 PolarHBondContact O-N 2.84Å; Q815-L818 PolarHBondContact O-N 3.3Å; L818-Q821 PolarHBondContact O-N 3.05Å; L818-K822 WeakPolarHBondContact O-CB 3.35Å; L818-K822 PolarHBondContact O-N 3.37Å |
| 819 | Q | 93.7 | Very high | 89.7 | Confident | 106 Ų | 106 | 98.6 Ų | 98.6 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 175.1 | -171.4 | 176.2 | -39.1 | 0 | 0 | 111.3 | Q815 G816 L817 K822 E823 | Q815-Q819 WeakPolarHBondContact O-CB 3.39Å; Q815-Q819 PolarHBondContact O-N 2.72Å; G816-Q819 PolarHBondContact O-N 3.21Å; L817-Q819 VanDerWaalsContact C-N 3.32Å; L817-Q819 PolarHBondContact O-N 2.98Å; Q819-K822 WeakPolarHBondContact O-CB 3.26Å; Q819-K822 PolarHBondContact O-N 3.32Å; Q819-E823 WeakPolarHBondContact CG-OE1 3.33Å; Q819-E823 PolarHBondContact NE2-OE1 3Å; Q819-E823 WeakPolarHBondContact O-CB 3.33Å; Q819-E823 WeakPolarHBondContact O-CG 3.5Å; Q819-E823 PolarHBondContact O-N 3.38Å |
| 820 | K | 94.3 | Very high | 88 | Confident | 125 Ų | 125 | 101 Ų | 101 | 54% | 0.543 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 173.4 | -77.7 | -73.5 | 164.3 | -158.1 | 0 | 113 | G816 L817 E823 L824 | G816-K820 WeakPolarHBondContact O-CB 3.45Å; G816-K820 WeakPolarHBondContact O-CG 3.08Å; G816-K820 PolarHBondContact O-N 3.08Å; L817-K820 PolarHBondContact O-N 3.46Å; K820-E823 WeakPolarHBondContact CD-OE2 3.39Å; K820-E823 VanDerWaalsContact CE-OE2 3.24Å; K820-E823 WeakPolarHBondContact CE-OE2 3.46Å; K820-E823 IonicContact NZ-OE2 2.75Å; K820-E823 PolarHBondContact NZ-OE2 3.31Å; K820-L824 WeakPolarHBondContact O-CB 3.42Å; K820-L824 VanDerWaalsContact O-CG 3.3Å; K820-L824 WeakPolarHBondContact O-CG 3.23Å; K820-L824 PolarHBondContact O-N 3.25Å |
| 821 | Q | 91.8 | Very high | 86.1 | Confident | 97 Ų | 97 | 99.3 Ų | 99.3 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 169.1 | -178.8 | -174.8 | -25.9 | 0 | 0 | 110.6 | L817 L818 E823 L824 E825 | L817-Q821 PolarHBondContact O-N 3.48Å; L818-Q821 PolarHBondContact O-N 3.05Å; Q821-E823 PolarHBondContact O-N 2.95Å; Q821-L824 PolarHBondContact O-N 2.79Å; Q821-E825 HydrophobicContact CG-CG 4.48Å; Q821-E825 PolarHBondContact NE2-OE1 2.84Å; Q821-E825 WeakPolarHBondContact O-CB 3.24Å; Q821-E825 WeakPolarHBondContact O-CG 3.44Å; Q821-E825 PolarHBondContact O-N 2.95Å |
| 822 | K | 90.8 | Very high | 84.3 | Confident | 142 Ų | 142 | 104.5 Ų | 104.5 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -41.6 | 178.5 | -174.9 | 176.9 | 178.9 | 178.6 | 0 | 112.4 | L818 Q819 E825 T826 | L818-K822 WeakPolarHBondContact O-CB 3.35Å; L818-K822 PolarHBondContact O-N 3.37Å; Q819-K822 WeakPolarHBondContact O-CB 3.26Å; Q819-K822 PolarHBondContact O-N 3.32Å; K822-E825 PolarHBondContact O-N 2.92Å; K822-T826 PolarHBondContact O-N 3.16Å; K822-T826 PolarHBondContact O-OG1 3.07Å; K822-T826 VanDerWaalsContact O-OG1 3.08Å |
| 823 | E | 92.3 | Very high | 82.6 | Confident | 58 Ų | 58 | 103.4 Ų | 103.4 | 27% | 0.271 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -51.3 | 175 | -73.9 | 167.8 | -162.1 | 0 | 0 | 110.8 | Q819 K820 Q821 E825 T826 D827 | Q819-E823 WeakPolarHBondContact CG-OE1 3.33Å; Q819-E823 PolarHBondContact NE2-OE1 3Å; Q819-E823 WeakPolarHBondContact O-CB 3.33Å; Q819-E823 WeakPolarHBondContact O-CG 3.5Å; Q819-E823 PolarHBondContact O-N 3.38Å; K820-E823 WeakPolarHBondContact CD-OE2 3.39Å; K820-E823 VanDerWaalsContact CE-OE2 3.24Å; K820-E823 WeakPolarHBondContact CE-OE2 3.46Å; K820-E823 IonicContact NZ-OE2 2.75Å; K820-E823 PolarHBondContact NZ-OE2 3.31Å; Q821-E823 PolarHBondContact O-N 2.95Å; E823-E825 VanDerWaalsContact C-N 3.31Å; E823-E825 PolarHBondContact O-N 2.82Å; E823-T826 WeakPolarHBondContact CA-OG1 3.38Å; E823-T826 PolarHBondContact O-N 3.3Å; E823-T826 PolarHBondContact O-OG1 2.79Å; E823-D827 PolarHBondContact O-N 3.05Å |
| 824 | L | 89.4 | Confident | 80.9 | Confident | 106 Ų | 106 | 106.1 Ų | 106.1 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -37.8 | 175.7 | -70.5 | 171 | 0 | 0 | 0 | 112.5 | K820 Q821 D827 L828 | K820-L824 WeakPolarHBondContact O-CB 3.42Å; K820-L824 VanDerWaalsContact O-CG 3.3Å; K820-L824 WeakPolarHBondContact O-CG 3.23Å; K820-L824 PolarHBondContact O-N 3.25Å; Q821-L824 PolarHBondContact O-N 2.79Å; L824-D827 PolarHBondContact O-N 2.8Å; L824-L828 VanDerWaalsContact O-CB 3.22Å; L824-L828 WeakPolarHBondContact O-CB 3.42Å; L824-L828 WeakPolarHBondContact O-CD1 3.41Å; L824-L828 WeakPolarHBondContact O-CG 3.39Å; L824-L828 PolarHBondContact O-N 2.87Å |
| 825 | E | 84.7 | Confident | 79.3 | Confident | 79 Ų | 79 | 104.4 Ų | 104.4 | 37% | 0.369 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 173.1 | -79.1 | -177.6 | -149.4 | 0 | 0 | 112.7 | Q821 K822 E823 K829 | Q821-E825 HydrophobicContact CG-CG 4.48Å; Q821-E825 PolarHBondContact NE2-OE1 2.84Å; Q821-E825 WeakPolarHBondContact O-CB 3.24Å; Q821-E825 WeakPolarHBondContact O-CG 3.44Å; Q821-E825 PolarHBondContact O-N 2.95Å; K822-E825 PolarHBondContact O-N 2.92Å; E823-E825 VanDerWaalsContact C-N 3.31Å; E823-E825 PolarHBondContact O-N 2.82Å; E825-K829 WeakPolarHBondContact O-CB 3.47Å; E825-K829 WeakPolarHBondContact O-CD 3.41Å; E825-K829 WeakPolarHBondContact O-CG 3.21Å; E825-K829 PolarHBondContact O-N 3.5Å; E825-K829 IonicContact OE2-NZ 2.81Å; E825-K829 PolarHBondContact OE2-NZ 3.47Å; E825-K829 VanDerWaalsContact OE2-NZ 3.15Å |
| 826 | T | 74.9 | Confident | 77.9 | Confident | 69 Ų | 69 | 101.3 Ų | 101.3 | 42% | 0.423 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70 | -33.9 | 174.5 | 44.8 | 0 | 0 | 0 | 0 | 112.4 | K822 E823 P830 | K822-T826 PolarHBondContact O-N 3.16Å; K822-T826 PolarHBondContact O-OG1 3.07Å; K822-T826 VanDerWaalsContact O-OG1 3.08Å; E823-T826 WeakPolarHBondContact CA-OG1 3.38Å; E823-T826 PolarHBondContact O-N 3.3Å; E823-T826 PolarHBondContact O-OG1 2.79Å; T826-P830 WeakPolarHBondContact O-CD 3.24Å |
| 827 | D | 74.7 | Confident | 76.3 | Confident | 109 Ų | 109 | 104.3 Ų | 104.3 | 58% | 0.583 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75 | -32 | 176.8 | -62.6 | -15.5 | 0 | 0 | 0 | 111.8 | E823 L824 P830 | E823-D827 PolarHBondContact O-N 3.05Å; L824-D827 PolarHBondContact O-N 2.8Å; D827-P830 WeakPolarHBondContact O-CD 3.45Å; D827-P830 WeakPolarHBondContact O-CG 3.49Å |
| 828 | L | 67.6 | Low | 75.1 | Confident | 108 Ų | 108 | 103.2 Ų | 103.2 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -82 | -25.9 | 175.8 | -71.1 | 169.1 | 0 | 0 | 0 | 113.5 | L824 V831 R832 | L824-L828 VanDerWaalsContact O-CB 3.22Å; L824-L828 WeakPolarHBondContact O-CB 3.42Å; L824-L828 WeakPolarHBondContact O-CD1 3.41Å; L824-L828 WeakPolarHBondContact O-CG 3.39Å; L824-L828 PolarHBondContact O-N 2.87Å; L828-V831 PolarHBondContact O-N 3.32Å; L828-V831 VanDerWaalsContact O-N 3.15Å; L828-R832 WeakPolarHBondContact O-CB 3.43Å; L828-R832 PolarHBondContact O-N 2.89Å |
| 829 | K | 61.2 | Low | 73.6 | Confident | 98 Ų | 98 | 104.9 Ų | 104.9 | 43% | 0.426 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -54.5 | -47.1 | 177 | -87.8 | 157.2 | -165.7 | 157.6 | 0 | 114.2 | E825 V831 R832 N833 | E825-K829 WeakPolarHBondContact O-CB 3.47Å; E825-K829 WeakPolarHBondContact O-CD 3.41Å; E825-K829 WeakPolarHBondContact O-CG 3.21Å; E825-K829 PolarHBondContact O-N 3.5Å; E825-K829 IonicContact OE2-NZ 2.81Å; E825-K829 PolarHBondContact OE2-NZ 3.47Å; E825-K829 VanDerWaalsContact OE2-NZ 3.15Å; K829-V831 VanDerWaalsContact C-N 3.34Å; K829-V831 PolarHBondContact O-N 3.21Å; K829-R832 PolarHBondContact O-N 3.19Å; K829-N833 VanDerWaalsContact O-CB 3.31Å; K829-N833 WeakPolarHBondContact O-CB 3.5Å; K829-N833 PolarHBondContact O-N 3.32Å; K829-N833 PolarHBondContact O-OD1 3.04Å |
| 830 | P | 61.7 | Low | 72.3 | Confident | 81 Ų | 81 | 108.1 Ų | 108.1 | 53% | 0.526 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 174.9 | 25 | -34 | 0 | 0 | 0 | 112.7 | T826 D827 R834 | T826-P830 WeakPolarHBondContact O-CD 3.24Å; D827-P830 WeakPolarHBondContact O-CD 3.45Å; D827-P830 WeakPolarHBondContact O-CG 3.49Å; P830-R834 WeakPolarHBondContact O-CB 3.48Å; P830-R834 PolarHBondContact O-N 2.94Å |
| 831 | V | 58 | Low | 70.9 | Confident | 65 Ų | 65 | 105 Ų | 105 | 39% | 0.394 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | L828 K829 R835 | L828-V831 PolarHBondContact O-N 3.32Å; L828-V831 VanDerWaalsContact O-N 3.15Å; K829-V831 VanDerWaalsContact C-N 3.34Å; K829-V831 PolarHBondContact O-N 3.21Å; V831-R835 PolarHBondContact O-N 3.46Å |
| 832 | R | 57.9 | Low | 69.5 | Low | 166 Ų | 166 | 105.7 Ų | 105.7 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.5 | -51.2 | 175.8 | 179.9 | 170.5 | 177.6 | 166.3 | 0.7 | 111.2 | L828 K829 R834 R835 D836 | L828-R832 WeakPolarHBondContact O-CB 3.43Å; L828-R832 PolarHBondContact O-N 2.89Å; K829-R832 PolarHBondContact O-N 3.19Å; R832-R834 PolarHBondContact O-N 3.5Å; R832-R834 VanDerWaalsContact O-N 3.15Å; R832-R835 PolarHBondContact O-N 3.13Å; R832-D836 WeakPolarHBondContact CG-OD2 3.25Å; R832-D836 IonicContact NE-OD2 2.74Å; R832-D836 PolarHBondContact NE-OD2 2.73Å; R832-D836 WeakPolarHBondContact O-CB 3.21Å; R832-D836 VanDerWaalsContact O-CG 3.25Å; R832-D836 PolarHBondContact O-N 3.31Å |
| 833 | N | 60.3 | Low | 68.2 | Low | 95 Ų | 95 | 102.6 Ų | 102.6 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.1 | -32.8 | 176.9 | -69.6 | 0.4 | 0 | 0 | 0 | 112.1 | K829 N837 | K829-N833 VanDerWaalsContact O-CB 3.31Å; K829-N833 WeakPolarHBondContact O-CB 3.5Å; K829-N833 PolarHBondContact O-N 3.32Å; K829-N833 PolarHBondContact O-OD1 3.04Å; N833-N837 WeakPolarHBondContact O-CB 3.28Å; N833-N837 PolarHBondContact O-N 3.13Å |
| 834 | R | 61.6 | Low | 66.6 | Low | 172 Ų | 172 | 102.7 Ų | 102.7 | 65% | 0.649 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -49.8 | 173.6 | -161.3 | -169.8 | 179.3 | 156.8 | 14.4 | 111.9 | P830 R832 D836 N837 E838 | P830-R834 WeakPolarHBondContact O-CB 3.48Å; P830-R834 PolarHBondContact O-N 2.94Å; R832-R834 PolarHBondContact O-N 3.5Å; R832-R834 VanDerWaalsContact O-N 3.15Å; R834-D836 PolarHBondContact O-N 3.3Å; R834-N837 PolarHBondContact O-N 2.8Å; R834-E838 WeakPolarHBondContact CD-OE1 3.35Å; R834-E838 WeakPolarHBondContact CG-OE1 3.08Å; R834-E838 IonicContact CZ-OE1 3.46Å; R834-E838 IonicContact NE-OE1 3.15Å; R834-E838 PolarHBondContact NE-OE1 2.65Å; R834-E838 WeakPolarHBondContact O-CB 3.49Å; R834-E838 VanDerWaalsContact O-CG 3.27Å; R834-E838 WeakPolarHBondContact O-CG 3.49Å; R834-E838 PolarHBondContact O-N 3.26Å |
| 835 | R | 63.4 | Low | 65.1 | Low | 150 Ų | 150 | 100.6 Ų | 100.6 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 176.3 | -69.9 | -177.7 | -172.4 | 140.5 | 2.6 | 112.7 | V831 R832 N837 E838 Q839 | V831-R835 PolarHBondContact O-N 3.46Å; R832-R835 PolarHBondContact O-N 3.13Å; R835-N837 VanDerWaalsContact C-N 3.31Å; R835-N837 PolarHBondContact O-N 3.32Å; R835-E838 PolarHBondContact O-N 3.46Å; R835-Q839 WeakPolarHBondContact O-CB 3.47Å; R835-Q839 WeakPolarHBondContact O-CG 3.36Å; R835-Q839 PolarHBondContact O-N 2.93Å |
| 836 | D | 66 | Low | 63.7 | Low | 65 Ų | 65 | 104.8 Ų | 104.8 | 35% | 0.348 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.4 | -34.4 | -179.5 | -63.3 | -5.4 | 0 | 0 | 0 | 110.3 | R832 R834 R840 | R832-D836 WeakPolarHBondContact CG-OD2 3.25Å; R832-D836 IonicContact NE-OD2 2.74Å; R832-D836 PolarHBondContact NE-OD2 2.73Å; R832-D836 WeakPolarHBondContact O-CB 3.21Å; R832-D836 VanDerWaalsContact O-CG 3.25Å; R832-D836 PolarHBondContact O-N 3.31Å; R834-D836 PolarHBondContact O-N 3.3Å; D836-R840 WeakPolarHBondContact O-CB 3.35Å; D836-R840 PolarHBondContact O-N 3.5Å |
| 837 | N | 64.9 | Low | 62.6 | Low | 99 Ų | 99 | 112.5 Ų | 112.5 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73 | -39.3 | 169.4 | -85.8 | -15.8 | 0 | 0 | 0 | 113.3 | N833 R834 R835 R840 A841 | N833-N837 WeakPolarHBondContact O-CB 3.28Å; N833-N837 PolarHBondContact O-N 3.13Å; R834-N837 PolarHBondContact O-N 2.8Å; R835-N837 VanDerWaalsContact C-N 3.31Å; R835-N837 PolarHBondContact O-N 3.32Å; N837-R840 PolarHBondContact O-N 3.02Å; N837-A841 WeakPolarHBondContact O-CB 3.24Å; N837-A841 PolarHBondContact O-N 2.85Å |
| 838 | E | 70.4 | Confident | 61.2 | Low | 88 Ų | 88 | 115.9 Ų | 115.9 | 41% | 0.411 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.5 | -43.1 | 175.4 | -74.8 | 161.7 | 179.5 | 0 | 0 | 110.7 | R834 R835 A841 L842 | R834-E838 WeakPolarHBondContact CD-OE1 3.35Å; R834-E838 WeakPolarHBondContact CG-OE1 3.08Å; R834-E838 IonicContact CZ-OE1 3.46Å; R834-E838 IonicContact NE-OE1 3.15Å; R834-E838 PolarHBondContact NE-OE1 2.65Å; R834-E838 WeakPolarHBondContact O-CB 3.49Å; R834-E838 VanDerWaalsContact O-CG 3.27Å; R834-E838 WeakPolarHBondContact O-CG 3.49Å; R834-E838 PolarHBondContact O-N 3.26Å; R835-E838 PolarHBondContact O-N 3.46Å; E838-A841 PolarHBondContact O-N 3.26Å; E838-L842 VanDerWaalsContact O-CG 3.29Å; E838-L842 WeakPolarHBondContact O-CG 3.19Å; E838-L842 PolarHBondContact O-N 3.44Å |
| 839 | Q | 65.3 | Low | 60.8 | Low | 124 Ų | 124 | 116.3 Ų | 116.3 | 58% | 0.579 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.6 | -38.7 | 172.5 | -73.1 | -178.9 | -5.8 | 0 | 0 | 112.6 | R835 S843 | R835-Q839 WeakPolarHBondContact O-CB 3.47Å; R835-Q839 WeakPolarHBondContact O-CG 3.36Å; R835-Q839 PolarHBondContact O-N 2.93Å; Q839-S843 VanDerWaalsContact O-CB 3.31Å; Q839-S843 WeakPolarHBondContact O-CB 3.28Å; Q839-S843 PolarHBondContact O-N 3.38Å; Q839-S843 PolarHBondContact O-OG 3.04Å |
| 840 | R | 66.6 | Low | 60.8 | Low | 174 Ų | 174 | 117.2 Ų | 117.2 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.6 | -38.7 | 174.8 | -174.2 | 176 | -70.4 | 160.4 | -3.2 | 112.3 | D836 N837 S843 A844 | D836-R840 WeakPolarHBondContact O-CB 3.35Å; D836-R840 PolarHBondContact O-N 3.5Å; N837-R840 PolarHBondContact O-N 3.02Å; R840-S843 PolarHBondContact O-N 3.34Å; R840-A844 PolarHBondContact O-N 3.32Å |
| 841 | A | 64.3 | Low | 60.8 | Low | 61 Ų | 61 | 119.2 Ų | 119.2 | 50% | 0.504 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.2 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N837 E838 S843 A844 A845 | N837-A841 WeakPolarHBondContact O-CB 3.24Å; N837-A841 PolarHBondContact O-N 2.85Å; E838-A841 PolarHBondContact O-N 3.26Å; A841-S843 VanDerWaalsContact C-N 3.31Å; A841-S843 PolarHBondContact O-N 3.47Å; A841-A844 PolarHBondContact O-N 3.28Å; A841-A845 PolarHBondContact O-N 3.05Å |
| 842 | L | 64.1 | Low | 60.9 | Low | 111 Ų | 111 | 122.4 Ų | 122.4 | 58% | 0.581 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.2 | -38 | 173.5 | -69.4 | 167.9 | 0 | 0 | 0 | 112.1 | E838 A844 A845 H846 | E838-L842 VanDerWaalsContact O-CG 3.29Å; E838-L842 WeakPolarHBondContact O-CG 3.19Å; E838-L842 PolarHBondContact O-N 3.44Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 3.24Å; L842-A845 PolarHBondContact O-N 3.12Å; L842-H846 PolarHBondContact O-CD2 3.38Å; L842-H846 PolarHBondContact O-N 3.47Å |
| 843 | S | 63 | Low | 61.1 | Low | 77 Ų | 77 | 119.7 Ų | 119.7 | 54% | 0.538 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.7 | -27.8 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | Q839 R840 A841 | Q839-S843 VanDerWaalsContact O-CB 3.31Å; Q839-S843 WeakPolarHBondContact O-CB 3.28Å; Q839-S843 PolarHBondContact O-N 3.38Å; Q839-S843 PolarHBondContact O-OG 3.04Å; R840-S843 PolarHBondContact O-N 3.34Å; A841-S843 VanDerWaalsContact C-N 3.31Å; A841-S843 PolarHBondContact O-N 3.47Å |
| 844 | A | 59.4 | Low | 61.2 | Low | 59 Ų | 59 | 121.3 Ų | 121.3 | 49% | 0.488 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.6 | -41.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | R840 A841 L842 H846 R847 | R840-A844 PolarHBondContact O-N 3.32Å; A841-A844 PolarHBondContact O-N 3.28Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 3.24Å; A844-H846 PolarHBondContact O-N 2.86Å; A844-R847 PolarHBondContact O-N 3.12Å |
| 845 | A | 57.6 | Low | 61.2 | Low | 63 Ų | 63 | 117.7 Ų | 117.7 | 52% | 0.521 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.6 | -15.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | A841 L842 | A841-A845 PolarHBondContact O-N 3.05Å; L842-A845 PolarHBondContact O-N 3.12Å |
| 846 | H | 53.8 | Low | 61 | Low | 167 Ų | 167 | 115.2 Ų | 115.2 | 77% | 0.773 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 11.8 | 170.9 | -83.9 | -64.9 | 0 | 0 | 0 | 114 | L842 A844 | L842-H846 PolarHBondContact O-CD2 3.38Å; L842-H846 PolarHBondContact O-N 3.47Å; A844-H846 PolarHBondContact O-N 2.86Å |
| 847 | R | 52.4 | Low | 60.6 | Low | 230 Ų | 230 | 119.4 Ų | 119.4 | 87% | 0.868 | 63% | 0.63 | S | S | * | * | trans | -121.8 | 18.1 | 175.1 | -75.3 | -168.8 | 170.5 | -155.1 | -1.7 | 113.8 | A844 | A844-R847 PolarHBondContact O-N 3.12Š| ||
| 848 | T | 45 | Very low | 60.2 | Low | 180 Ų | 180 | 121.3 Ų | 121.3 | 100% | 1.104 | 64% | 0.639 | S | S | * | * | trans | -126.7 | 0 | 171.8 | 53.9 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 848 of 848 residues in 513.5 ms
(Link to these results)