| 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 | 49.6 | Very low | 66.2 | Low | 233 Ų | 233 | 119.7 Ų | 119.7 | 100% | 1.148 | 65% | 0.652 | S | S | * | * | 0 | 130.8 | 0 | -91.1 | 166.1 | 173.5 | 0 | 0 | 108.1 | L3 | M1-L3 PolarHBondContact O-N 3.14Š| |||
| 2 | S | 60.4 | Low | 66.3 | Low | 125 Ų | 125 | 131.2 Ų | 131.2 | 87% | 0.874 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 116.9 | 165.9 | -177.6 | 0 | 0 | 0 | 0 | 106.9 | ||
| 3 | L | 60.7 | Low | 66.5 | Low | 103 Ų | 103 | 125.6 Ų | 125.6 | 54% | 0.539 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 146.9 | 173.4 | -79.4 | 100.1 | 0 | 0 | 0 | 109.5 | M1 I13 | M1-L3 PolarHBondContact O-N 3.14Å; L3-I13 HydrophobicContact CD2-CG2 4.29Å |
| 4 | D | 66.6 | Low | 66.6 | Low | 82 Ų | 82 | 121.1 Ų | 121.1 | 44% | 0.439 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 130.1 | 176.5 | -136.9 | 2.9 | 0 | 0 | 0 | 108.5 | K6 Y7 | D4-K6 PolarHBondContact O-N 3.03Å; D4-K6 IonicContact OD2-NZ 3.68Å; D4-Y7 HydrophobicContact CB-CD2 3.69Å; D4-Y7 HydrophobicContact CB-CE2 3.94Å; D4-Y7 PolarHBondContact O-N 2.77Å |
| 5 | P | 71.3 | Confident | 66.9 | Low | 103 Ų | 103 | 121.2 Ų | 121.2 | 67% | 0.669 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -60.1 | -17.4 | -173.7 | 19.2 | -30.5 | 0 | 0 | 0 | 113.9 | Y7 A8 | P5-Y7 PolarHBondContact O-N 2.91Å; P5-A8 PolarHBondContact O-N 3.32Å |
| 6 | K | 70.8 | Confident | 67.2 | Low | 157 Ų | 157 | 118.9 Ų | 118.9 | 68% | 0.683 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -65.5 | -23.9 | 174.1 | -76.1 | 175.1 | -79.1 | 171.9 | 0 | 113.8 | D4 | D4-K6 PolarHBondContact O-N 3.03Å; D4-K6 IonicContact OD2-NZ 3.68Å |
| 7 | Y | 68 | Low | 67.5 | Low | 117 Ų | 117 | 120.2 Ų | 120.2 | 46% | 0.459 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -107.3 | 4 | -177.3 | -52.6 | -68.9 | 0 | 0 | 0 | 112.8 | D4 P5 D9 L10 | D4-Y7 HydrophobicContact CB-CD2 3.69Å; D4-Y7 HydrophobicContact CB-CE2 3.94Å; D4-Y7 PolarHBondContact O-N 2.77Å; P5-Y7 PolarHBondContact O-N 2.91Å; Y7-D9 VanDerWaalsContact C-N 3.29Å; Y7-D9 PolarHBondContact O-N 3.01Å; Y7-L10 HydrophobicContact CD1-CD1 3.75Å |
| 8 | A | 66.8 | Low | 67.8 | Low | 40 Ų | 40 | 119.7 Ų | 119.7 | 33% | 0.331 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.7 | -31.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P5 H15 | P5-A8 PolarHBondContact O-N 3.32Å; A8-H15 PolarHBondContact O-CE1 3.24Å; A8-H15 PolarHBondContact O-NE2 3.19Å |
| 9 | D | 69.5 | Low | 68.1 | Low | 158 Ų | 158 | 119.8 Ų | 119.8 | 85% | 0.845 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 18.6 | -172 | -61.2 | -40.4 | 0 | 0 | 0 | 113.8 | Y7 P11 | Y7-D9 VanDerWaalsContact C-N 3.29Å; Y7-D9 PolarHBondContact O-N 3.01Å; D9-P11 WeakPolarHBondContact O-CD 3.13Å |
| 10 | L | 71.4 | Confident | 68.4 | Low | 84 Ų | 84 | 119.6 Ų | 119.6 | 44% | 0.44 | 66% | 0.657 | S | S | . | * | trans | -76.8 | 126 | 178.9 | -76.4 | 171.1 | 0 | 0 | 0 | 110.8 | Y7 W12 I13 | Y7-L10 HydrophobicContact CD1-CD1 3.75Å; L10-W12 PolarHBondContact O-N 3.17Å; L10-I13 HydrophobicContact CB-CD1 3.67Å; L10-I13 HydrophobicContact CB-CG1 4.02Å; L10-I13 HydrophobicContact CD1-CD1 3.78Å; L10-I13 HydrophobicContact CG-CD1 4.33Å; L10-I13 PolarHBondContact O-N 2.85Å | ||
| 11 | P | 73.3 | Confident | 68.6 | Low | 115 Ų | 115 | 123.2 Ų | 123.2 | 75% | 0.747 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 136.7 | 167.1 | -13.9 | 26.9 | 0 | 0 | 0 | 107.9 | D9 | D9-P11 WeakPolarHBondContact O-CD 3.13Š|
| 12 | W | 66.7 | Low | 69.6 | Low | 257 Ų | 257 | 120.3 Ų | 120.3 | 97% | 0.973 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.6 | -4.5 | -176.3 | -85.5 | 86.8 | 0 | 0 | 0 | 119.2 | L10 A14 | L10-W12 PolarHBondContact O-N 3.17Å; W12-A14 PolarHBondContact O-N 3.18Å |
| 13 | I | 69.6 | Low | 70 | Confident | 59 Ų | 59 | 119.1 Ų | 119.1 | 30% | 0.303 | 64% | 0.643 | S | S | . | * | trans | -89.9 | 109.6 | 172.3 | -58.5 | -176.7 | 0 | 0 | 0 | 109 | L3 L10 H15 | L3-I13 HydrophobicContact CD2-CG2 4.29Å; L10-I13 HydrophobicContact CB-CD1 3.67Å; L10-I13 HydrophobicContact CB-CG1 4.02Å; L10-I13 HydrophobicContact CD1-CD1 3.78Å; L10-I13 HydrophobicContact CG-CD1 4.33Å; L10-I13 PolarHBondContact O-N 2.85Å; I13-H15 PolarHBondContact O-N 3.5Å | ||
| 14 | A | 67.3 | Low | 70.3 | Confident | 63 Ų | 63 | 117.2 Ų | 117.2 | 52% | 0.521 | 65% | 0.648 | S | S | . | * | trans | -71.2 | 121.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | W12 | W12-A14 PolarHBondContact O-N 3.18Š| ||
| 15 | H | 72.1 | Confident | 70.3 | Confident | 122 Ų | 122 | 122 Ų | 122 | 57% | 0.565 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -87.7 | 129.6 | 177.9 | -57.5 | -72.1 | 0 | 0 | 0 | 111 | A8 I13 Q17 | A8-H15 PolarHBondContact O-CE1 3.24Å; A8-H15 PolarHBondContact O-NE2 3.19Å; I13-H15 PolarHBondContact O-N 3.5Å; H15-Q17 VanDerWaalsContact C-N 3.31Å; H15-Q17 PolarHBondContact O-N 2.79Å |
| 16 | G | 70.5 | Confident | 70 | Confident | 85 Ų | 85 | 122.2 Ų | 122.2 | 88% | 0.876 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 79.4 | 4.6 | 167 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 17 | Q | 73 | Confident | 69.8 | Low | 141 Ų | 141 | 118.7 Ų | 118.7 | 66% | 0.659 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -92.1 | 133.7 | 165.6 | -66.9 | -174.4 | -32 | 0 | 0 | 108.6 | H15 D19 | H15-Q17 VanDerWaalsContact C-N 3.31Å; H15-Q17 PolarHBondContact O-N 2.79Å; Q17-D19 PolarHBondContact O-N 3.35Å |
| 18 | P | 72 | Confident | 69.7 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 71% | 0.714 | 67% | 0.672 | S | S | * | * | trans | -61.3 | 130.8 | 171.6 | 24.5 | -30.5 | 0 | 0 | 0 | 108.7 | V20 | P18-V20 PolarHBondContact O-N 3.34Š| ||
| 19 | D | 74.7 | Confident | 69.6 | Low | 123 Ų | 123 | 122.9 Ų | 122.9 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | trans | -61.6 | 110.5 | 176.7 | -65.7 | -35.4 | 0 | 0 | 0 | 109 | Q17 Y21 | Q17-D19 PolarHBondContact O-N 3.35Å; D19-Y21 HydrophobicContact CB-CD2 4.33Å; D19-Y21 HydrophobicContact CB-CE2 3.65Å; D19-Y21 PolarHBondContact O-N 2.9Å | ||
| 20 | V | 73.9 | Confident | 69.2 | Low | 115 Ų | 115 | 119.4 Ų | 119.4 | 70% | 0.697 | 67% | 0.668 | S | S | * | * | trans | -92 | 102 | 175.1 | -177 | 0 | 0 | 0 | 0 | 107.3 | P18 E22 | P18-V20 PolarHBondContact O-N 3.34Å; V20-E22 HydrophobicContact CG1-CG 4.26Å; V20-E22 PolarHBondContact O-N 3.36Å | ||
| 21 | Y | 71.9 | Confident | 68.7 | Low | 195 Ų | 195 | 121.4 Ų | 121.4 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | trans | -81.7 | 102.4 | 170.9 | -60.4 | -85.9 | 0 | 0 | 0 | 108.5 | D19 A23 | D19-Y21 HydrophobicContact CB-CD2 4.33Å; D19-Y21 HydrophobicContact CB-CE2 3.65Å; D19-Y21 PolarHBondContact O-N 2.9Å; Y21-A23 PolarHBondContact O-N 2.85Å | ||
| 22 | E | 71 | Confident | 67.8 | Low | 173 Ų | 173 | 120.9 Ų | 120.9 | 81% | 0.808 | 67% | 0.67 | S | S | * | * | trans | -79.5 | 104.4 | 165.4 | -66.6 | -177.7 | -173.7 | 0 | 0 | 107.8 | V20 G24 | V20-E22 HydrophobicContact CG1-CG 4.26Å; V20-E22 PolarHBondContact O-N 3.36Å; E22-G24 PolarHBondContact O-N 2.79Å | ||
| 23 | A | 68.1 | Low | 67.1 | Low | 99 Ų | 99 | 115.5 Ų | 115.5 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -67.4 | 102.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 106 | Y21 E25 | Y21-A23 PolarHBondContact O-N 2.85Å; A23-E25 PolarHBondContact O-N 3.3Å | ||
| 24 | G | 67 | Low | 66.3 | Low | 63 Ų | 63 | 120.3 Ų | 120.3 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 135.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E22 L26 | E22-G24 PolarHBondContact O-N 2.79Å; G24-L26 PolarHBondContact O-N 2.8Å |
| 25 | E | 67.3 | Low | 65.6 | Low | 182 Ų | 182 | 126.6 Ų | 126.6 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 118.1 | 176.9 | -70.4 | -173.6 | 170.4 | 0 | 0 | 108.5 | A23 | A23-E25 PolarHBondContact O-N 3.3Š|
| 26 | L | 65.2 | Low | 64.6 | Low | 109 Ų | 109 | 125.9 Ų | 125.9 | 57% | 0.571 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 133.6 | 172.6 | -74.3 | 167.1 | 0 | 0 | 0 | 107.2 | G24 E28 D30 Q31 | G24-L26 PolarHBondContact O-N 2.8Å; L26-E28 PolarHBondContact O-N 3.15Å; L26-D30 HydrophobicContact CB-CB 4.2Å; L26-Q31 PolarHBondContact O-NE2 3.48Å |
| 27 | P | 67.4 | Low | 63.7 | Low | 83 Ų | 83 | 126.7 Ų | 126.7 | 54% | 0.539 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -47 | 142.8 | 175.4 | -26.1 | 33.6 | 0 | 0 | 0 | 110.1 | A29 D30 | P27-A29 PolarHBondContact O-N 2.74Å; P27-D30 PolarHBondContact O-N 2.81Å |
| 28 | E | 65.3 | Low | 62.8 | Low | 167 Ų | 167 | 127.6 Ų | 127.6 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -49.8 | -27.2 | -177 | -68.8 | -166.7 | 160.5 | 0 | 0 | 113.6 | L26 D30 Q31 | L26-E28 PolarHBondContact O-N 3.15Å; E28-D30 VanDerWaalsContact C-N 3.27Å; E28-D30 PolarHBondContact O-N 2.89Å; E28-Q31 PolarHBondContact O-N 3.46Å |
| 29 | A | 63.8 | Low | 61.9 | Low | 78 Ų | 78 | 127.7 Ų | 127.7 | 65% | 0.645 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -58.2 | -33.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P27 | P27-A29 PolarHBondContact O-N 2.74Å |
| 30 | D | 61.1 | Low | 61.1 | Low | 85 Ų | 85 | 127.8 Ų | 127.8 | 46% | 0.455 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -94.5 | -15.5 | -176.2 | -63.7 | -28.1 | 0 | 0 | 0 | 112.7 | L26 P27 E28 T32 M33 | L26-D30 HydrophobicContact CB-CB 4.2Å; P27-D30 PolarHBondContact O-N 2.81Å; E28-D30 VanDerWaalsContact C-N 3.27Å; E28-D30 PolarHBondContact O-N 2.89Å; D30-T32 VanDerWaalsContact C-N 3.26Å; D30-T32 PolarHBondContact O-N 2.89Å; D30-M33 WeakPolarHBondContact O-CG 3.46Å; D30-M33 PolarHBondContact O-N 3.32Å |
| 31 | Q | 61.4 | Low | 60.3 | Low | 126 Ų | 126 | 130.8 Ų | 130.8 | 59% | 0.589 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -71.8 | -25.3 | 176.4 | -62.3 | -175.1 | 16.9 | 0 | 0 | 112.3 | L26 E28 | L26-Q31 PolarHBondContact O-NE2 3.48Å; E28-Q31 PolarHBondContact O-N 3.46Å |
| 32 | T | 54.9 | Low | 59.6 | Low | 103 Ų | 103 | 123.8 Ų | 123.8 | 63% | 0.632 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 48.4 | 175.5 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | D30 K34 | D30-T32 VanDerWaalsContact C-N 3.26Å; D30-T32 PolarHBondContact O-N 2.89Å; T32-K34 PolarHBondContact O-N 3.4Å |
| 33 | M | 51.8 | Low | 59.1 | Low | 144 Ų | 144 | 118.3 Ų | 118.3 | 71% | 0.709 | 66% | 0.663 | S | S | * | * | trans | -63 | 83.1 | 152.9 | -66.8 | -157.9 | 94 | 0 | 0 | 107.2 | D30 E35 | D30-M33 WeakPolarHBondContact O-CG 3.46Å; D30-M33 PolarHBondContact O-N 3.32Å; M33-E35 PolarHBondContact O-N 3.11Å; M33-E35 VanDerWaalsContact O-N 3.09Å | ||
| 34 | K | 52.5 | Low | 59.1 | Low | 160 Ų | 160 | 123.8 Ų | 123.8 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | trans | -51 | 122.2 | 161.8 | -76.8 | 175.5 | 175.6 | 172.1 | 0 | 104.7 | T32 T36 | T32-K34 PolarHBondContact O-N 3.4Å; K34-T36 HydrophobicContact CB-CG2 4.32Å; K34-T36 WeakPolarHBondContact CB-OG1 3.3Å; K34-T36 PolarHBondContact O-N 3.33Å | ||
| 35 | E | 53.1 | Low | 59.5 | Low | 195 Ų | 195 | 129.8 Ų | 129.8 | 91% | 0.911 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -62.8 | 34.8 | 167.5 | -65 | 176 | 153.4 | 0 | 0 | 111.7 | M33 V37 | M33-E35 PolarHBondContact O-N 3.11Å; M33-E35 VanDerWaalsContact O-N 3.09Å; E35-V37 VanDerWaalsContact C-N 3.29Å |
| 36 | T | 50.8 | Low | 59.9 | Low | 107 Ų | 107 | 126.3 Ų | 126.3 | 66% | 0.656 | 66% | 0.66 | S | S | * | * | trans | -95.7 | 17.4 | 165 | 54.6 | 0 | 0 | 0 | 0 | 110.6 | K34 E38 | K34-T36 HydrophobicContact CB-CG2 4.32Å; K34-T36 WeakPolarHBondContact CB-OG1 3.3Å; K34-T36 PolarHBondContact O-N 3.33Å; T36-E38 PolarHBondContact O-N 2.84Å | ||
| 37 | V | 51.6 | Low | 60.2 | Low | 103 Ų | 103 | 129.2 Ų | 129.2 | 62% | 0.624 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -69.5 | 95.4 | 152 | -171.2 | 0 | 0 | 0 | 0 | 103.8 | E35 D39 | E35-V37 VanDerWaalsContact C-N 3.29Å; V37-D39 PolarHBondContact O-N 3.49Å |
| 38 | E | 53.8 | Low | 60.4 | Low | 160 Ų | 160 | 129.9 Ų | 129.9 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | trans | -45.4 | 111.8 | 167.9 | -66.3 | -174 | 148.5 | 0 | 0 | 106.6 | T36 T40 | T36-E38 PolarHBondContact O-N 2.84Å; E38-T40 HydrophobicContact CB-CG2 4.39Å; E38-T40 WeakPolarHBondContact O-CG2 3.38Å; E38-T40 PolarHBondContact O-N 3.41Å; E38-T40 PolarHBondContact O-OG1 3.48Å | ||
| 39 | D | 52.8 | Low | 60.9 | Low | 111 Ų | 111 | 126 Ų | 126 | 59% | 0.594 | 66% | 0.661 | S | S | * | * | trans | -73.4 | 68.9 | -167.7 | -155.1 | 5 | 0 | 0 | 0 | 108.8 | V37 M41 S42 | V37-D39 PolarHBondContact O-N 3.49Å; D39-M41 PolarHBondContact O-N 3.11Å; D39-M41 VanDerWaalsContact O-N 3.08Å; D39-S42 PolarHBondContact O-N 2.89Å; D39-S42 PolarHBondContact O-OG 2.88Å | ||
| 40 | T | 57.5 | Low | 61.6 | Low | 125 Ų | 125 | 131.9 Ų | 131.9 | 77% | 0.767 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -1.3 | -174.3 | 46.1 | 0 | 0 | 0 | 0 | 112.4 | E38 | E38-T40 HydrophobicContact CB-CG2 4.39Å; E38-T40 WeakPolarHBondContact O-CG2 3.38Å; E38-T40 PolarHBondContact O-N 3.41Å; E38-T40 PolarHBondContact O-OG1 3.48Å |
| 41 | M | 57.8 | Low | 62.2 | Low | 179 Ų | 179 | 134.9 Ų | 134.9 | 88% | 0.882 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | 3.3 | 177.7 | -66.7 | -133.2 | 173.2 | 0 | 0 | 114.2 | D39 A43 | D39-M41 PolarHBondContact O-N 3.11Å; D39-M41 VanDerWaalsContact O-N 3.08Å; M41-A43 PolarHBondContact O-N 3.44Å |
| 42 | S | 57.7 | Low | 63.2 | Low | 48 Ų | 48 | 131.3 Ų | 131.3 | 34% | 0.336 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -69.1 | 125.6 | 167.8 | 58.1 | 0 | 0 | 0 | 0 | 109.7 | D39 | D39-S42 PolarHBondContact O-N 2.89Å; D39-S42 PolarHBondContact O-OG 2.88Å |
| 43 | A | 60.1 | Low | 64.7 | Low | 58 Ų | 58 | 132.2 Ų | 132.2 | 48% | 0.479 | 68% | 0.681 | S | S | . | * | trans | -57.9 | 142.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | M41 E45 I46 | M41-A43 PolarHBondContact O-N 3.44Å; A43-E45 PolarHBondContact O-N 2.7Å; A43-I46 PolarHBondContact O-N 2.84Å | ||
| 44 | R | 67.4 | Low | 66.3 | Low | 214 Ų | 214 | 129.2 Ų | 129.2 | 81% | 0.808 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -16.8 | -178.7 | -75.5 | -177.7 | 177.6 | 179.4 | -0.8 | 114.7 | I46 | R44-I46 VanDerWaalsContact C-N 3.34Š|
| 45 | E | 76.4 | Confident | 67.7 | Low | 189 Ų | 189 | 127.9 Ų | 127.9 | 88% | 0.883 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -17.8 | 174.6 | -120.1 | 99.1 | -161.7 | 0 | 0 | 114 | A43 | A43-E45 PolarHBondContact O-N 2.7Š|
| 46 | I | 74.7 | Confident | 69 | Low | 108 Ų | 108 | 120.6 Ų | 120.6 | 55% | 0.554 | 64% | 0.643 | S | S | * | * | trans | -97.4 | 103.1 | -174.6 | -55.2 | 176.1 | 0 | 0 | 0 | 109 | A43 R44 V48 | A43-I46 PolarHBondContact O-N 2.84Å; R44-I46 VanDerWaalsContact C-N 3.34Å; I46-V48 HydrophobicContact CG2-CG2 4.13Å; I46-V48 PolarHBondContact O-N 3.45Å | ||
| 47 | E | 72.9 | Confident | 70.6 | Confident | 170 Ų | 170 | 122 Ų | 122 | 79% | 0.794 | 64% | 0.642 | S | S | * | * | trans | -75.8 | 105.9 | 169.2 | -171.1 | -179.3 | 174.8 | 0 | 0 | 109.6 | V49 | E47-V49 HydrophobicContact CG-CG2 4.13Å; E47-V49 PolarHBondContact O-N 3.15Å | ||
| 48 | V | 71.8 | Confident | 72.1 | Confident | 98 Ų | 98 | 125.4 Ų | 125.4 | 59% | 0.594 | 65% | 0.649 | S | S | * | * | trans | -84.6 | 92.4 | 174.3 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | I46 K50 | I46-V48 HydrophobicContact CG2-CG2 4.13Å; I46-V48 PolarHBondContact O-N 3.45Å; V48-K50 PolarHBondContact O-N 3Å | ||
| 49 | V | 75.6 | Confident | 73.3 | Confident | 86 Ų | 86 | 127 Ų | 127 | 52% | 0.521 | 65% | 0.648 | S | S | . | * | trans | -72.1 | 119.8 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | E47 L51 | E47-V49 HydrophobicContact CG-CG2 4.13Å; E47-V49 PolarHBondContact O-N 3.15Å; V49-L51 HydrophobicContact CG1-CD2 4.12Å; V49-L51 HydrophobicContact CG1-CG 4.45Å; V49-L51 PolarHBondContact O-N 3.42Å; V49-L51 VanDerWaalsContact O-N 3.08Å | ||
| 50 | K | 77.4 | Confident | 74.6 | Confident | 200 Ų | 200 | 126.8 Ų | 126.8 | 87% | 0.87 | 64% | 0.642 | S | S | * | * | trans | -72.7 | 102.4 | 173.7 | -72.9 | -175.7 | 178.9 | -179.8 | 0 | 109.6 | V48 | V48-K50 PolarHBondContact O-N 3Š| ||
| 51 | L | 74.7 | Confident | 75.6 | Confident | 148 Ų | 148 | 124.3 Ų | 124.3 | 78% | 0.775 | 63% | 0.634 | S | S | * | * | trans | -92.4 | 113.2 | 176.4 | -57.5 | 159.4 | 0 | 0 | 0 | 108.3 | V49 V53 | V49-L51 HydrophobicContact CG1-CD2 4.12Å; V49-L51 HydrophobicContact CG1-CG 4.45Å; V49-L51 PolarHBondContact O-N 3.42Å; V49-L51 VanDerWaalsContact O-N 3.08Å; L51-V53 PolarHBondContact O-N 2.85Å | ||
| 52 | S | 82.2 | Confident | 76.4 | Confident | 51 Ų | 51 | 119 Ų | 119 | 36% | 0.357 | 63% | 0.625 | S | S | . | * | trans | -76.6 | 118.3 | 171.9 | 173.6 | 0 | 0 | 0 | 0 | 109.7 | S54 E55 A56 | S52-S54 PolarHBondContact O-N 3.31Å; S52-E55 PolarHBondContact O-N 3.1Å; S52-A56 PolarHBondContact O-N 3.15Å | ||
| 53 | V | 85.7 | Confident | 77.3 | Confident | 123 Ų | 123 | 118.4 Ų | 118.4 | 75% | 0.745 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -55.3 | -36.7 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | L51 H57 | L51-V53 PolarHBondContact O-N 2.85Å; V53-H57 WeakPolarHBondContact O-CB 3.46Å; V53-H57 PolarHBondContact O-N 2.94Å |
| 54 | S | 85 | Confident | 77.9 | Confident | 80 Ų | 80 | 123.1 Ų | 123.1 | 56% | 0.559 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.9 | -36.1 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | S52 K58 | S52-S54 PolarHBondContact O-N 3.31Å; S54-K58 VanDerWaalsContact O-CG 3.28Å; S54-K58 WeakPolarHBondContact O-CG 3.26Å; S54-K58 PolarHBondContact O-N 3.25Å; S54-K58 VanDerWaalsContact O-N 3.09Å |
| 55 | E | 82.5 | Confident | 77.9 | Confident | 132 Ų | 132 | 117 Ų | 117 | 62% | 0.617 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.2 | -40.2 | 175.9 | -69.1 | 177 | 167.8 | 0 | 0 | 111.3 | S52 K58 R59 | S52-E55 PolarHBondContact O-N 3.1Å; E55-K58 PolarHBondContact O-N 2.98Å; E55-R59 WeakPolarHBondContact O-CB 3.34Å; E55-R59 PolarHBondContact O-N 3.44Å |
| 56 | A | 81.6 | Confident | 77.7 | Confident | 42 Ų | 42 | 111.6 Ų | 111.6 | 35% | 0.347 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.5 | -47.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S52 K58 R59 F60 | S52-A56 PolarHBondContact O-N 3.15Å; A56-K58 VanDerWaalsContact C-N 3.34Å; A56-K58 PolarHBondContact O-N 2.89Å; A56-R59 PolarHBondContact O-N 3.07Å; A56-R59 VanDerWaalsContact O-N 3.15Å; A56-F60 HydrophobicContact CB-CD2 4.4Å; A56-F60 WeakPolarHBondContact O-CB 3.28Å; A56-F60 WeakPolarHBondContact O-CD2 3.5Å; A56-F60 PolarHBondContact O-N 3.44Å |
| 57 | H | 83.2 | Confident | 77.3 | Confident | 137 Ų | 137 | 110 Ų | 110 | 63% | 0.634 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.5 | -41.6 | 177 | -169.8 | -85.3 | 0 | 0 | 0 | 111.9 | V53 R59 F60 A61 | V53-H57 WeakPolarHBondContact O-CB 3.46Å; V53-H57 PolarHBondContact O-N 2.94Å; H57-R59 VanDerWaalsContact C-N 3.3Å; H57-R59 PolarHBondContact O-N 2.66Å; H57-F60 PolarHBondContact O-N 3.09Å; H57-A61 WeakPolarHBondContact O-CA 3.31Å; H57-A61 WeakPolarHBondContact O-CB 3.47Å; H57-A61 PolarHBondContact O-N 3.27Å |
| 58 | K | 82.8 | Confident | 77.3 | Confident | 174 Ų | 174 | 106.5 Ų | 106.5 | 76% | 0.757 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.3 | -38.7 | 175.1 | -76.8 | 173.6 | -177 | 178.1 | 0 | 112.7 | S54 E55 A56 | S54-K58 VanDerWaalsContact O-CG 3.28Å; S54-K58 WeakPolarHBondContact O-CG 3.26Å; S54-K58 PolarHBondContact O-N 3.25Å; S54-K58 VanDerWaalsContact O-N 3.09Å; E55-K58 PolarHBondContact O-N 2.98Å; A56-K58 VanDerWaalsContact C-N 3.34Å; A56-K58 PolarHBondContact O-N 2.89Å |
| 59 | R | 79.7 | Confident | 77.1 | Confident | 194 Ų | 194 | 108.3 Ų | 108.3 | 73% | 0.732 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.3 | -39.5 | 179.6 | -172.7 | 177.8 | 177.3 | -174.9 | -2.4 | 112.3 | E55 A56 H57 | E55-R59 WeakPolarHBondContact O-CB 3.34Å; E55-R59 PolarHBondContact O-N 3.44Å; A56-R59 PolarHBondContact O-N 3.07Å; A56-R59 VanDerWaalsContact O-N 3.15Å; H57-R59 VanDerWaalsContact C-N 3.3Å; H57-R59 PolarHBondContact O-N 2.66Å |
| 60 | F | 79.2 | Confident | 76.7 | Confident | 107 Ų | 107 | 105.5 Ų | 105.5 | 47% | 0.469 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -105.3 | -5.4 | -170.2 | -63.1 | -66.9 | 0 | 0 | 0 | 115 | A56 H57 G62 C63 | A56-F60 HydrophobicContact CB-CD2 4.4Å; A56-F60 WeakPolarHBondContact O-CB 3.28Å; A56-F60 WeakPolarHBondContact O-CD2 3.5Å; A56-F60 PolarHBondContact O-N 3.44Å; H57-F60 PolarHBondContact O-N 3.09Å; F60-G62 PolarHBondContact O-N 3.07Å; F60-G62 VanDerWaalsContact O-N 3.08Å; F60-C63 HydrophobicContact CB-CB 4.46Å; F60-C63 HydrophobicContact CD1-CB 4.17Å; F60-C63 WeakPolarHBondContact O-CB 3.26Å; F60-C63 PolarHBondContact O-N 3.33Å |
| 61 | A | 79.9 | Confident | 76.1 | Confident | 72 Ų | 72 | 100 Ų | 100 | 60% | 0.595 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -28.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H57 | H57-A61 WeakPolarHBondContact O-CA 3.31Å; H57-A61 WeakPolarHBondContact O-CB 3.47Å; H57-A61 PolarHBondContact O-N 3.27Å |
| 62 | G | 73.9 | Confident | 75.5 | Confident | 68 Ų | 68 | 100.2 Ų | 100.2 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -2.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | F60 | F60-G62 PolarHBondContact O-N 3.07Å; F60-G62 VanDerWaalsContact O-N 3.08Å |
| 63 | C | 76.4 | Confident | 74.8 | Confident | 36 Ų | 36 | 100.8 Ų | 100.8 | 24% | 0.243 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -87.9 | 118.7 | -179.2 | -66.3 | 0 | 0 | 0 | 0 | 109.2 | F60 | F60-C63 HydrophobicContact CB-CB 4.46Å; F60-C63 HydrophobicContact CD1-CB 4.17Å; F60-C63 WeakPolarHBondContact O-CB 3.26Å; F60-C63 PolarHBondContact O-N 3.33Å |
| 64 | K | 72.8 | Confident | 73.9 | Confident | 157 Ų | 157 | 102.9 Ų | 102.9 | 68% | 0.683 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 138.7 | 167.4 | -164.6 | 177.2 | 175.5 | -167.3 | 0 | 108.6 | ||
| 65 | V | 68.3 | Low | 72.9 | Confident | 86 Ų | 86 | 102.3 Ų | 102.3 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 119 | 174.1 | 176.7 | 0 | 0 | 0 | 0 | 107.2 | ||
| 66 | D | 71 | Confident | 72 | Confident | 74 Ų | 74 | 104.3 Ų | 104.3 | 40% | 0.396 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.9 | 117.9 | 168.4 | -176.8 | 24.5 | 0 | 0 | 0 | 109.5 | S68 | D66-S68 VanDerWaalsContact CG-OG 3.29Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 2.99Å; D66-S68 PolarHBondContact OD1-OG 3.08Å; D66-S68 PolarHBondContact OD2-OG 3.04Å |
| 67 | S | 66.9 | Low | 71.2 | Confident | 75 Ų | 75 | 107.2 Ų | 107.2 | 52% | 0.524 | 59% | 0.589 | S | S | . | * | trans | -109 | 9.6 | 177.4 | 66.5 | 0 | 0 | 0 | 0 | 112.5 | N69 V70 | S67-N69 VanDerWaalsContact C-N 3.25Å; S67-N69 PolarHBondContact O-N 3.38Å; S67-V70 PolarHBondContact O-N 3.48Å | ||
| 68 | S | 71.8 | Confident | 70.1 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 67% | 0.671 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -27.9 | -171.4 | 64.5 | 0 | 0 | 0 | 0 | 114.2 | D66 | D66-S68 VanDerWaalsContact CG-OG 3.29Å; D66-S68 WeakPolarHBondContact OD1-CB 3.44Å; D66-S68 PolarHBondContact OD1-N 2.99Å; D66-S68 PolarHBondContact OD1-OG 3.08Å; D66-S68 PolarHBondContact OD2-OG 3.04Å |
| 69 | N | 67.8 | Low | 69 | Low | 136 Ų | 136 | 102.8 Ų | 102.8 | 73% | 0.727 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 23.1 | -175.8 | -159.7 | 22.1 | 0 | 0 | 0 | 113.5 | S67 | S67-N69 VanDerWaalsContact C-N 3.25Å; S67-N69 PolarHBondContact O-N 3.38Å |
| 70 | V | 67.7 | Low | 68.1 | Low | 27 Ų | 27 | 95.4 Ų | 95.4 | 16% | 0.164 | 57% | 0.572 | C | S | . | * | trans | -109.6 | 122.5 | -178.2 | -174 | 0 | 0 | 0 | 0 | 109.4 | S67 F72 G83 | S67-V70 PolarHBondContact O-N 3.48Å; V70-F72 HydrophobicContact CB-CE2 4.27Å; V70-F72 HydrophobicContact CB-CZ 4.44Å; V70-F72 HydrophobicContact CG1-CD2 4.43Å; V70-F72 HydrophobicContact CG1-CE1 4.13Å; V70-F72 HydrophobicContact CG1-CE2 4.01Å; V70-F72 HydrophobicContact CG1-CZ 3.85Å; V70-G83 WeakPolarHBondContact CG2-O 3.3Å | ||
| 71 | D | 64.3 | Low | 66.9 | Low | 85 Ų | 85 | 98.8 Ų | 98.8 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | trans | -92.4 | 120.5 | 171.6 | -173.7 | 6.9 | 0 | 0 | 0 | 109.2 | S73 | D71-S73 VanDerWaalsContact OD1-CB 3.24Å; D71-S73 WeakPolarHBondContact OD1-CB 3.34Å; D71-S73 PolarHBondContact OD1-N 2.65Å; D71-S73 PolarHBondContact OD1-OG 3.36Å; D71-S73 VanDerWaalsContact OD1-OG 3.06Å; D71-S73 PolarHBondContact OD2-OG 3.43Å | ||
| 72 | F | 63.3 | Low | 65.9 | Low | 152 Ų | 152 | 102.8 Ų | 102.8 | 67% | 0.667 | 60% | 0.596 | S | S | * | * | trans | -97.8 | 5 | 174.7 | -66.2 | -78.5 | 0 | 0 | 0 | 112.6 | V70 D74 | V70-F72 HydrophobicContact CB-CE2 4.27Å; V70-F72 HydrophobicContact CB-CZ 4.44Å; V70-F72 HydrophobicContact CG1-CD2 4.43Å; V70-F72 HydrophobicContact CG1-CE1 4.13Å; V70-F72 HydrophobicContact CG1-CE2 4.01Å; V70-F72 HydrophobicContact CG1-CZ 3.85Å; F72-D74 PolarHBondContact O-N 2.91Å | ||
| 73 | S | 66.9 | Low | 65.3 | Low | 64 Ų | 64 | 101.1 Ų | 101.1 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -64.4 | 121.2 | 168.8 | 82.3 | 0 | 0 | 0 | 0 | 107.1 | D71 S75 | D71-S73 VanDerWaalsContact OD1-CB 3.24Å; D71-S73 WeakPolarHBondContact OD1-CB 3.34Å; D71-S73 PolarHBondContact OD1-N 2.65Å; D71-S73 PolarHBondContact OD1-OG 3.36Å; D71-S73 VanDerWaalsContact OD1-OG 3.06Å; D71-S73 PolarHBondContact OD2-OG 3.43Å; S73-S75 PolarHBondContact O-N 3.43Å |
| 74 | D | 65.8 | Low | 64.6 | Low | 167 Ų | 167 | 107.4 Ų | 107.4 | 89% | 0.893 | 60% | 0.599 | S | S | * | * | trans | -66.5 | 26.2 | -177 | -159.2 | 15.9 | 0 | 0 | 0 | 112.8 | F72 I76 | F72-D74 PolarHBondContact O-N 2.91Å; D74-I76 PolarHBondContact O-N 2.86Å | ||
| 75 | S | 65 | Low | 63.9 | Low | 68 Ų | 68 | 103.1 Ų | 103.1 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | trans | -84.7 | 105.3 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | S73 S77 G78 | S73-S75 PolarHBondContact O-N 3.43Å; S75-S77 PolarHBondContact O-N 3.39Å; S75-G78 PolarHBondContact O-N 3.05Å | ||
| 76 | I | 62.7 | Low | 63.3 | Low | 173 Ų | 173 | 103.5 Ų | 103.5 | 89% | 0.887 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -5.1 | 173.7 | 57.6 | 165.7 | 0 | 0 | 0 | 114.6 | D74 | D74-I76 PolarHBondContact O-N 2.86Š|
| 77 | S | 66.4 | Low | 62.5 | Low | 103 Ų | 103 | 106.1 Ų | 106.1 | 72% | 0.72 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -5.7 | -175.6 | -169.1 | 0 | 0 | 0 | 0 | 114 | S75 | S75-S77 PolarHBondContact O-N 3.39Š|
| 78 | G | 58.9 | Low | 61.6 | Low | 41 Ų | 41 | 106.8 Ų | 106.8 | 42% | 0.423 | 60% | 0.597 | S | S | . | * | trans | -84.9 | 134 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | S75 G80 | S75-G78 PolarHBondContact O-N 3.05Å; G78-G80 PolarHBondContact O-N 3Å; G78-G80 VanDerWaalsContact O-N 3.13Å | ||
| 79 | N | 61.1 | Low | 60.5 | Low | 178 Ų | 178 | 109.5 Ų | 109.5 | 95% | 0.952 | 60% | 0.604 | S | S | * | * | trans | -74.1 | 14.8 | 166.5 | -77.7 | 33.5 | 0 | 0 | 0 | 112.9 | ||||
| 80 | G | 59.3 | Low | 59.3 | Low | 38 Ų | 38 | 110.7 Ų | 110.7 | 39% | 0.392 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -70.2 | 142.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G78 I82 | G78-G80 PolarHBondContact O-N 3Å; G78-G80 VanDerWaalsContact O-N 3.13Å; G80-I82 PolarHBondContact O-N 3.35Å |
| 81 | K | 53.8 | Low | 58.3 | Low | 178 Ų | 178 | 117.8 Ų | 117.8 | 77% | 0.774 | 63% | 0.63 | S | S | * | * | trans | -63.4 | 112.6 | 168.7 | -88.3 | -178.5 | 176.1 | 178.2 | 0 | 108.1 | G83 | K81-G83 PolarHBondContact O-N 2.89Š| ||
| 82 | I | 58.7 | Low | 57.3 | Low | 156 Ų | 156 | 119.8 Ų | 119.8 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | trans | -76.5 | 106.5 | 167.1 | -58.3 | 170.4 | 0 | 0 | 0 | 106.4 | G80 | G80-I82 PolarHBondContact O-N 3.35Š| ||
| 83 | G | 61.3 | Low | 56.4 | Low | 34 Ų | 34 | 118.4 Ų | 118.4 | 35% | 0.351 | 64% | 0.639 | S | S | . | * | S | Bend | trans | 139.7 | 153.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | V70 K81 | V70-G83 WeakPolarHBondContact CG2-O 3.3Å; K81-G83 PolarHBondContact O-N 2.89Å |
| 84 | Y | 61.8 | Low | 55.5 | Low | 168 Ų | 168 | 120 Ų | 120 | 66% | 0.659 | 65% | 0.651 | S | S | * | * | trans | -83.5 | 137.7 | 174.5 | 33 | -92.7 | 0 | 0 | 0 | 110.4 | ||||
| 85 | A | 58.6 | Low | 54.8 | Low | 67 Ų | 67 | 121.3 Ų | 121.3 | 55% | 0.554 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91 | 125.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | E87 | A85-E87 PolarHBondContact O-N 2.95Å |
| 86 | I | 57.1 | Low | 54.1 | Low | 94 Ų | 94 | 124.8 Ų | 124.8 | 48% | 0.482 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.3 | 105.4 | 170.3 | -56.4 | 172.7 | 0 | 0 | 0 | 106 | M88 | I86-M88 VanDerWaalsContact C-N 3.27Å; I86-M88 HydrophobicContact CG2-CB 4.34Å; I86-M88 HydrophobicContact CG2-CG 3.81Å; I86-M88 HydrophobicContact CG2-SD 3.87Å; I86-M88 PolarHBondContact O-N 3.46Å |
| 87 | E | 54 | Low | 53.8 | Low | 128 Ų | 128 | 126.4 Ų | 126.4 | 60% | 0.598 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.5 | 85.7 | 169.5 | -160.4 | 171.6 | -149 | 0 | 0 | 106.7 | A85 | A85-E87 PolarHBondContact O-N 2.95Å |
| 88 | M | 46.8 | Very low | 53.7 | Low | 89 Ų | 89 | 124.3 Ų | 124.3 | 44% | 0.438 | 64% | 0.641 | S | S | . | * | trans | -87.9 | 114.6 | 169.1 | -100.5 | 160.9 | 65.1 | 0 | 0 | 107.4 | I86 Q90 D92 | I86-M88 VanDerWaalsContact C-N 3.27Å; I86-M88 HydrophobicContact CG2-CB 4.34Å; I86-M88 HydrophobicContact CG2-CG 3.81Å; I86-M88 HydrophobicContact CG2-SD 3.87Å; I86-M88 PolarHBondContact O-N 3.46Å; M88-Q90 PolarHBondContact O-N 3.44Å; M88-D92 HydrophobicContact CE-CB 4.33Å | ||
| 89 | D | 49.5 | Very low | 54.3 | Low | 154 Ų | 154 | 125 Ų | 125 | 82% | 0.824 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -65.2 | 8.5 | 174.4 | -81.1 | -14.2 | 0 | 0 | 0 | 113.8 | ||
| 90 | Q | 41.8 | Very low | 55.2 | Low | 161 Ų | 161 | 121.5 Ų | 121.5 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -133.5 | 104.2 | 173.2 | -73.3 | -178.9 | 7.8 | 0 | 0 | 108.7 | M88 D92 | M88-Q90 PolarHBondContact O-N 3.44Å; Q90-D92 PolarHBondContact O-N 2.92Å |
| 91 | Y | 47.5 | Very low | 56.2 | Low | 176 Ų | 176 | 122.4 Ų | 122.4 | 69% | 0.69 | 62% | 0.618 | S | S | * | * | trans | -41.9 | 111.5 | 160.8 | -68 | -88.5 | 0 | 0 | 0 | 108.8 | L93 | Y91-L93 VanDerWaalsContact C-N 3.25Å; Y91-L93 PolarHBondContact O-N 3.25Å | ||
| 92 | D | 43.3 | Very low | 57.5 | Low | 126 Ų | 126 | 118.5 Ų | 118.5 | 67% | 0.674 | 61% | 0.606 | S | S | * | * | trans | -68.5 | 84.6 | -178.5 | -169.3 | 5.9 | 0 | 0 | 0 | 109.4 | M88 Q90 S94 | M88-D92 HydrophobicContact CE-CB 4.33Å; Q90-D92 PolarHBondContact O-N 2.92Å; D92-S94 PolarHBondContact O-N 2.98Å | ||
| 93 | L | 44.7 | Very low | 58.5 | Low | 123 Ų | 123 | 116.4 Ų | 116.4 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | trans | -86.4 | 11.5 | -179.7 | -101.3 | 134 | 0 | 0 | 0 | 112.6 | Y91 | Y91-L93 VanDerWaalsContact C-N 3.25Å; Y91-L93 PolarHBondContact O-N 3.25Å | ||
| 94 | S | 46.8 | Very low | 59.5 | Low | 99 Ų | 99 | 116.3 Ų | 116.3 | 69% | 0.692 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -97.3 | 2.5 | -157.5 | -56.7 | 0 | 0 | 0 | 0 | 116.2 | D92 | D92-S94 PolarHBondContact O-N 2.98Š|
| 95 | K | 51.1 | Low | 60.5 | Low | 193 Ų | 193 | 113.7 Ų | 113.7 | 84% | 0.839 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -130.2 | -31 | 174.5 | -73.3 | -166.2 | 177.6 | -178 | 0 | 117.6 | ||
| 96 | D | 50.2 | Low | 61.7 | Low | 141 Ų | 141 | 115.3 Ų | 115.3 | 75% | 0.754 | 56% | 0.563 | S | S | * | * | trans | -118.5 | 111.4 | -179.6 | -65.5 | -40.5 | 0 | 0 | 0 | 110.1 | E98 | D96-E98 VanDerWaalsContact C-N 3.27Å; D96-E98 PolarHBondContact O-N 2.84Å | ||
| 97 | K | 57.8 | Low | 63.2 | Low | 208 Ų | 208 | 114.5 Ų | 114.5 | 90% | 0.904 | 56% | 0.56 | S | S | * | * | trans | -57.2 | 98.5 | 164 | -67.4 | 178.6 | -177 | 176.8 | 0 | 106.5 | S99 | K97-S99 PolarHBondContact O-N 3.23Š| ||
| 98 | E | 63.9 | Low | 64.7 | Low | 59 Ų | 59 | 112.4 Ų | 112.4 | 28% | 0.276 | 55% | 0.55 | S | S | . | * | trans | -49.1 | 131.2 | -179 | 42.6 | 173.7 | -169.3 | 0 | 0 | 111.3 | D96 R103 | D96-E98 VanDerWaalsContact C-N 3.27Å; D96-E98 PolarHBondContact O-N 2.84Å; E98-R103 HydrophobicContact CB-CG 4.1Å; E98-R103 VanDerWaalsContact CD-CD 3.5Å; E98-R103 HydrophobicContact CG-CG 3.5Å; E98-R103 VanDerWaalsContact CG-CG 3.5Å; E98-R103 PolarHBondContact O-NE 2.94Å; E98-R103 PolarHBondContact O-NH2 3.43Å; E98-R103 VanDerWaalsContact O-NH2 3.11Å; E98-R103 WeakPolarHBondContact OE1-CD 3.26Å; E98-R103 WeakPolarHBondContact OE1-CG 3.45Å; E98-R103 IonicContact OE1-NE 3.79Å; E98-R103 WeakPolarHBondContact OE2-CG 3.36Å | ||
| 99 | S | 72 | Confident | 66.5 | Low | 56 Ų | 56 | 111.7 Ų | 111.7 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | trans | -58.4 | 147.3 | 174.3 | 75.9 | 0 | 0 | 0 | 0 | 109.2 | K97 V101 N102 R103 | K97-S99 PolarHBondContact O-N 3.23Å; S99-V101 PolarHBondContact O-N 3.46Å; S99-N102 PolarHBondContact O-N 3.06Å; S99-N102 WeakPolarHBondContact OG-CB 3.32Å; S99-N102 PolarHBondContact OG-N 3.39Å; S99-N102 VanDerWaalsContact OG-N 3.16Å; S99-N102 PolarHBondContact OG-ND2 2.94Å; S99-N102 PolarHBondContact OG-OD1 3.09Å; S99-R103 PolarHBondContact O-N 3.3Å | ||
| 100 | L | 79.2 | Confident | 68.3 | Low | 104 Ų | 104 | 108 Ų | 108 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.1 | -30.6 | -178.5 | -66 | 171.7 | 0 | 0 | 0 | 112 | R103 F104 L157 | L100-R103 WeakPolarHBondContact O-CB 3.24Å; L100-F104 WeakPolarHBondContact O-CB 3.47Å; L100-F104 PolarHBondContact O-N 3.41Å; L100-L157 HydrophobicContact CB-CD2 4.06Å |
| 101 | V | 81.1 | Confident | 70.5 | Confident | 57 Ų | 57 | 100.8 Ų | 100.8 | 35% | 0.345 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70 | -44.5 | 175 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | S99 R103 F104 Q105 | S99-V101 PolarHBondContact O-N 3.46Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 2.9Å; V101-F104 WeakPolarHBondContact O-CB 3.36Å; V101-F104 PolarHBondContact O-N 3.37Å; V101-Q105 PolarHBondContact O-N 2.82Å |
| 102 | N | 79.6 | Confident | 72.3 | Confident | 95 Ų | 95 | 97.2 Ų | 97.2 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.8 | -68.2 | 4.6 | 0 | 0 | 0 | 111.1 | S99 F104 Q105 R106 | S99-N102 PolarHBondContact O-N 3.06Å; S99-N102 WeakPolarHBondContact OG-CB 3.32Å; S99-N102 PolarHBondContact OG-N 3.39Å; S99-N102 VanDerWaalsContact OG-N 3.16Å; S99-N102 PolarHBondContact OG-ND2 2.94Å; S99-N102 PolarHBondContact OG-OD1 3.09Å; N102-F104 PolarHBondContact O-N 2.98Å; N102-Q105 PolarHBondContact O-N 3.28Å; N102-R106 WeakPolarHBondContact O-CB 3.27Å; N102-R106 PolarHBondContact O-N 3.45Å |
| 103 | R | 79.9 | Confident | 74.5 | Confident | 112 Ų | 112 | 97 Ų | 97 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.4 | -48.7 | 170.8 | -89.7 | -170.9 | -96.2 | -155.4 | 2.3 | 112.8 | E98 S99 L100 V101 R106 L107 | E98-R103 HydrophobicContact CB-CG 4.1Å; E98-R103 VanDerWaalsContact CD-CD 3.5Å; E98-R103 HydrophobicContact CG-CG 3.5Å; E98-R103 VanDerWaalsContact CG-CG 3.5Å; E98-R103 PolarHBondContact O-NE 2.94Å; E98-R103 PolarHBondContact O-NH2 3.43Å; E98-R103 VanDerWaalsContact O-NH2 3.11Å; E98-R103 WeakPolarHBondContact OE1-CD 3.26Å; E98-R103 WeakPolarHBondContact OE1-CG 3.45Å; E98-R103 IonicContact OE1-NE 3.79Å; E98-R103 WeakPolarHBondContact OE2-CG 3.36Å; S99-R103 PolarHBondContact O-N 3.3Å; L100-R103 WeakPolarHBondContact O-CB 3.24Å; V101-R103 VanDerWaalsContact C-N 3.31Å; V101-R103 PolarHBondContact O-N 2.9Å; R103-R106 PolarHBondContact O-N 3.17Å; R103-L107 WeakPolarHBondContact O-CB 3.41Å; R103-L107 PolarHBondContact O-N 2.79Å |
| 104 | F | 82.7 | Confident | 76.5 | Confident | 32 Ų | 32 | 95.3 Ų | 95.3 | 14% | 0.14 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | -179.9 | 176.3 | -98.1 | 0 | 0 | 0 | 111.4 | L100 V101 N102 L107 Q108 L149 I152 | L100-F104 WeakPolarHBondContact O-CB 3.47Å; L100-F104 PolarHBondContact O-N 3.41Å; V101-F104 WeakPolarHBondContact O-CB 3.36Å; V101-F104 PolarHBondContact O-N 3.37Å; N102-F104 PolarHBondContact O-N 2.98Å; F104-L107 PolarHBondContact O-N 2.85Å; F104-Q108 PolarHBondContact O-N 3.32Å; F104-L149 HydrophobicContact CD2-CD2 4.45Å; F104-L149 HydrophobicContact CE2-CB 4.33Å; F104-L149 HydrophobicContact CE2-CD2 4.1Å; F104-L149 VanDerWaalsContact CZ-O 3.22Å; F104-L149 WeakPolarHBondContact CZ-O 3.4Å; F104-I152 HydrophobicContact CE2-CB 3.93Å; F104-I152 HydrophobicContact CE2-CG2 4.04Å; F104-I152 HydrophobicContact CZ-CB 4.33Å; F104-I152 WeakPolarHBondContact CZ-O 2.99Å |
| 105 | Q | 82.3 | Confident | 78.3 | Confident | 114 Ų | 114 | 91.7 Ų | 91.7 | 53% | 0.533 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 176.3 | -174.9 | 175.8 | -23.2 | 0 | 0 | 111.9 | V101 N102 Q108 T109 | V101-Q105 PolarHBondContact O-N 2.82Å; N102-Q105 PolarHBondContact O-N 3.28Å; Q105-Q108 WeakPolarHBondContact O-CB 3.41Å; Q105-Q108 PolarHBondContact O-N 3Å; Q105-T109 PolarHBondContact O-N 2.98Å; Q105-T109 PolarHBondContact O-OG1 3.2Å |
| 106 | R | 84.7 | Confident | 79.9 | Confident | 100 Ų | 100 | 85.4 Ų | 85.4 | 38% | 0.377 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 174.8 | 178.1 | 174.1 | 170.7 | -87 | -21.4 | 111.2 | N102 R103 Q108 T109 E110 | N102-R106 WeakPolarHBondContact O-CB 3.27Å; N102-R106 PolarHBondContact O-N 3.45Å; R103-R106 PolarHBondContact O-N 3.17Å; R106-Q108 VanDerWaalsContact C-N 3.26Å; R106-Q108 PolarHBondContact O-N 3.05Å; R106-T109 WeakPolarHBondContact CA-OG1 3.32Å; R106-T109 PolarHBondContact O-N 3.03Å; R106-T109 VanDerWaalsContact O-N 3.1Å; R106-T109 PolarHBondContact O-OG1 3.46Å; R106-E110 IonicContact CZ-OE2 2.74Å; R106-E110 IonicContact NH1-OE2 3.39Å; R106-E110 IonicContact NH2-OE1 3.02Å; R106-E110 IonicContact NH2-OE2 3.69Å; R106-E110 PolarHBondContact NH2-OE2 2.89Å; R106-E110 VanDerWaalsContact O-CB 3.3Å; R106-E110 WeakPolarHBondContact O-CB 3.36Å; R106-E110 PolarHBondContact O-N 3.26Å |
| 107 | L | 87.2 | Confident | 81.5 | Confident | 77 Ų | 77 | 82.4 Ų | 82.4 | 40% | 0.403 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 177.4 | -167.3 | 64.1 | 0 | 0 | 0 | 111.2 | R103 F104 E110 T111 L149 | R103-L107 WeakPolarHBondContact O-CB 3.41Å; R103-L107 PolarHBondContact O-N 2.79Å; F104-L107 PolarHBondContact O-N 2.85Å; L107-E110 PolarHBondContact O-N 3.04Å; L107-T111 HydrophobicContact CD1-CG2 4.43Å; L107-T111 HydrophobicContact CG-CG2 4.43Å; L107-T111 WeakPolarHBondContact O-CB 3.34Å; L107-T111 WeakPolarHBondContact O-CG2 3.42Å; L107-T111 PolarHBondContact O-N 3.34Å; L107-T111 PolarHBondContact O-OG1 3.47Å; L107-L149 HydrophobicContact CD2-CD1 4.18Å; L107-L149 HydrophobicContact CD2-CD2 3.73Å; L107-L149 HydrophobicContact CG-CD1 3.95Å; L107-L149 HydrophobicContact CG-CD2 4.38Å |
| 108 | Q | 86.3 | Confident | 82.6 | Confident | 85 Ų | 85 | 73.2 Ų | 73.2 | 40% | 0.397 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 172.5 | -171.7 | -178.5 | 40.7 | 0 | 0 | 111.8 | F104 Q105 R106 T111 L112 | F104-Q108 PolarHBondContact O-N 3.32Å; Q105-Q108 WeakPolarHBondContact O-CB 3.41Å; Q105-Q108 PolarHBondContact O-N 3Å; R106-Q108 VanDerWaalsContact C-N 3.26Å; R106-Q108 PolarHBondContact O-N 3.05Å; Q108-T111 PolarHBondContact O-N 2.94Å; Q108-T111 PolarHBondContact O-OG1 3.33Å; Q108-L112 WeakPolarHBondContact O-CG 3.36Å; Q108-L112 PolarHBondContact O-N 2.88Å; Q108-L112 VanDerWaalsContact O-N 3.14Å |
| 109 | T | 84.1 | Confident | 83.4 | Confident | 74 Ų | 74 | 75.1 Ų | 75.1 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.6 | -40.6 | 178 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | Q105 R106 T111 L112 Q113 | Q105-T109 PolarHBondContact O-N 2.98Å; Q105-T109 PolarHBondContact O-OG1 3.2Å; R106-T109 WeakPolarHBondContact CA-OG1 3.32Å; R106-T109 PolarHBondContact O-N 3.03Å; R106-T109 VanDerWaalsContact O-N 3.1Å; R106-T109 PolarHBondContact O-OG1 3.46Å; T109-T111 VanDerWaalsContact C-N 3.27Å; T109-T111 PolarHBondContact O-N 3.12Å; T109-L112 PolarHBondContact O-N 2.85Å; T109-Q113 WeakPolarHBondContact O-CB 3.4Å; T109-Q113 PolarHBondContact O-N 3.36Å |
| 110 | E | 87.5 | Confident | 83.7 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 36% | 0.36 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.5 | -33.1 | -179.7 | -172.6 | 166.2 | -168.5 | 0 | 0 | 111 | R106 L107 Q113 L114 | R106-E110 IonicContact CZ-OE2 2.74Å; R106-E110 IonicContact NH1-OE2 3.39Å; R106-E110 IonicContact NH2-OE1 3.02Å; R106-E110 IonicContact NH2-OE2 3.69Å; R106-E110 PolarHBondContact NH2-OE2 2.89Å; R106-E110 VanDerWaalsContact O-CB 3.3Å; R106-E110 WeakPolarHBondContact O-CB 3.36Å; R106-E110 PolarHBondContact O-N 3.26Å; L107-E110 PolarHBondContact O-N 3.04Å; E110-Q113 PolarHBondContact O-N 3.49Å; E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 3.39Å |
| 111 | T | 88.5 | Confident | 83.5 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 5% | 0.049 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -77.6 | -34 | 177.8 | 57 | 0 | 0 | 0 | 0 | 112.5 | L107 Q108 T109 I115 L145 L149 | L107-T111 HydrophobicContact CD1-CG2 4.43Å; L107-T111 HydrophobicContact CG-CG2 4.43Å; L107-T111 WeakPolarHBondContact O-CB 3.34Å; L107-T111 WeakPolarHBondContact O-CG2 3.42Å; L107-T111 PolarHBondContact O-N 3.34Å; L107-T111 PolarHBondContact O-OG1 3.47Å; Q108-T111 PolarHBondContact O-N 2.94Å; Q108-T111 PolarHBondContact O-OG1 3.33Å; T109-T111 VanDerWaalsContact C-N 3.27Å; T109-T111 PolarHBondContact O-N 3.12Å; T111-I115 WeakPolarHBondContact O-CD1 3.45Å; T111-I115 VanDerWaalsContact O-CG1 3.24Å; T111-I115 WeakPolarHBondContact O-CG1 3.44Å; T111-I115 PolarHBondContact O-N 2.72Å; T111-L145 HydrophobicContact CG2-CD2 3.04Å; T111-L149 HydrophobicContact CG2-CD1 3.97Å |
| 112 | L | 86.3 | Confident | 83.1 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 53% | 0.534 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 168.9 | -70.1 | 173.7 | 0 | 0 | 0 | 111.5 | Q108 T109 I115 S116 | Q108-L112 WeakPolarHBondContact O-CG 3.36Å; Q108-L112 PolarHBondContact O-N 2.88Å; Q108-L112 VanDerWaalsContact O-N 3.14Å; T109-L112 PolarHBondContact O-N 2.85Å; L112-I115 PolarHBondContact O-N 3.07Å; L112-S116 PolarHBondContact O-N 2.91Å |
| 113 | Q | 87.9 | Confident | 82.4 | Confident | 122 Ų | 122 | 74.7 Ų | 74.7 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.9 | -45.7 | 174.9 | -174.4 | 176.2 | -10.6 | 0 | 0 | 110.9 | T109 E110 I115 S116 D117 | T109-Q113 WeakPolarHBondContact O-CB 3.4Å; T109-Q113 PolarHBondContact O-N 3.36Å; E110-Q113 PolarHBondContact O-N 3.49Å; Q113-I115 VanDerWaalsContact C-N 3.28Å; Q113-I115 PolarHBondContact O-N 3.18Å; Q113-S116 CarbonylContact O-C 3.48Å; Q113-S116 WeakPolarHBondContact O-CA 3.44Å; Q113-S116 WeakPolarHBondContact O-CB 3.35Å; Q113-S116 PolarHBondContact O-N 2.84Å; Q113-D117 PolarHBondContact O-N 3.23Å |
| 114 | L | 86.5 | Confident | 81.6 | Confident | 87 Ų | 87 | 75.2 Ų | 75.2 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.9 | -40 | 175.2 | -178.9 | 63.5 | 0 | 0 | 0 | 112.1 | E110 D117 I118 A142 | E110-L114 WeakPolarHBondContact O-CB 3.22Å; E110-L114 PolarHBondContact O-N 3.39Å; L114-D117 PolarHBondContact O-N 3.38Å; L114-I118 HydrophobicContact CD1-CD1 4.1Å; L114-I118 HydrophobicContact CD1-CG1 4.32Å; L114-I118 HydrophobicContact CG-CD1 3.9Å; L114-I118 WeakPolarHBondContact O-CB 3.32Å; L114-I118 WeakPolarHBondContact O-CD1 3.38Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.16Å; L114-A142 HydrophobicContact CD2-CB 4.46Å |
| 115 | I | 85.9 | Confident | 80.4 | Confident | 23 Ų | 23 | 76.1 Ų | 76.1 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 174.9 | -70.3 | 163.9 | 0 | 0 | 0 | 110.7 | T111 L112 Q113 I118 Q119 A142 | T111-I115 WeakPolarHBondContact O-CD1 3.45Å; T111-I115 VanDerWaalsContact O-CG1 3.24Å; T111-I115 WeakPolarHBondContact O-CG1 3.44Å; T111-I115 PolarHBondContact O-N 2.72Å; L112-I115 PolarHBondContact O-N 3.07Å; Q113-I115 VanDerWaalsContact C-N 3.28Å; Q113-I115 PolarHBondContact O-N 3.18Å; I115-I118 PolarHBondContact O-N 3.16Å; I115-Q119 WeakPolarHBondContact O-CG 3.4Å; I115-Q119 PolarHBondContact O-N 3.49Å; I115-A142 HydrophobicContact CD1-CB 4.38Å; I115-A142 HydrophobicContact CG1-CB 3.69Å |
| 116 | S | 85 | Confident | 79.1 | Confident | 60 Ų | 60 | 77.3 Ų | 77.3 | 42% | 0.42 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 176.5 | -174.3 | 0 | 0 | 0 | 0 | 111.7 | L112 Q113 Q119 V120 | L112-S116 PolarHBondContact O-N 2.91Å; Q113-S116 CarbonylContact O-C 3.48Å; Q113-S116 WeakPolarHBondContact O-CA 3.44Å; Q113-S116 WeakPolarHBondContact O-CB 3.35Å; Q113-S116 PolarHBondContact O-N 2.84Å; S116-Q119 WeakPolarHBondContact O-CB 3.3Å; S116-Q119 PolarHBondContact O-N 2.86Å; S116-V120 WeakPolarHBondContact O-CG2 3.44Å; S116-V120 PolarHBondContact O-N 3.4Å |
| 117 | D | 82.9 | Confident | 77.6 | Confident | 79 Ų | 79 | 80 Ų | 80 | 42% | 0.422 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 179.7 | -67.7 | -16 | 0 | 0 | 0 | 111.1 | Q113 L114 Q119 V120 V121 | Q113-D117 PolarHBondContact O-N 3.23Å; L114-D117 PolarHBondContact O-N 3.38Å; D117-Q119 VanDerWaalsContact C-N 3.31Å; D117-Q119 PolarHBondContact O-N 3.19Å; D117-V120 PolarHBondContact O-N 3.35Å; D117-V121 WeakPolarHBondContact O-CB 3.48Å; D117-V121 VanDerWaalsContact O-CG2 3.25Å; D117-V121 WeakPolarHBondContact O-CG2 3.22Å; D117-V121 PolarHBondContact O-N 2.91Å |
| 118 | I | 81.3 | Confident | 75.7 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 8% | 0.077 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 174.5 | -66.8 | 163.3 | 0 | 0 | 0 | 111.2 | L114 I115 V121 S122 L138 L139 A142 | L114-I118 HydrophobicContact CD1-CD1 4.1Å; L114-I118 HydrophobicContact CD1-CG1 4.32Å; L114-I118 HydrophobicContact CG-CD1 3.9Å; L114-I118 WeakPolarHBondContact O-CB 3.32Å; L114-I118 WeakPolarHBondContact O-CD1 3.38Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.16Å; I115-I118 PolarHBondContact O-N 3.16Å; I118-V121 PolarHBondContact O-N 3.1Å; I118-S122 VanDerWaalsContact O-CB 3.32Å; I118-S122 WeakPolarHBondContact O-CB 3.47Å; I118-S122 PolarHBondContact O-N 2.92Å; I118-L138 HydrophobicContact CD1-CB 3.92Å; I118-L139 HydrophobicContact CG2-CB 3.93Å; I118-L139 HydrophobicContact CG2-CD1 3.94Å; I118-L139 HydrophobicContact CG2-CG 4.46Å; I118-A142 HydrophobicContact CD1-CB 4.33Å |
| 119 | Q | 79.8 | Confident | 74 | Confident | 99 Ų | 99 | 83.2 Ų | 83.2 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 175.3 | -75 | 175.4 | -19.2 | 0 | 0 | 111.5 | I115 S116 D117 V121 S122 D123 L139 | I115-Q119 WeakPolarHBondContact O-CG 3.4Å; I115-Q119 PolarHBondContact O-N 3.49Å; S116-Q119 WeakPolarHBondContact O-CB 3.3Å; S116-Q119 PolarHBondContact O-N 2.86Å; D117-Q119 VanDerWaalsContact C-N 3.31Å; D117-Q119 PolarHBondContact O-N 3.19Å; Q119-V121 VanDerWaalsContact C-N 3.32Å; Q119-V121 PolarHBondContact O-N 3.44Å; Q119-S122 WeakPolarHBondContact O-CA 3.34Å; Q119-S122 WeakPolarHBondContact O-CB 3.48Å; Q119-S122 PolarHBondContact O-N 3.35Å; Q119-S122 VanDerWaalsContact O-N 3.1Å; Q119-D123 PolarHBondContact O-N 2.74Å; Q119-L139 HydrophobicContact CG-CD1 4.15Å |
| 120 | V | 79.9 | Confident | 72.4 | Confident | 65 Ų | 65 | 88.9 Ų | 88.9 | 39% | 0.394 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 174.3 | 173 | 0 | 0 | 0 | 0 | 111 | S116 D117 S122 D123 Q124 | S116-V120 WeakPolarHBondContact O-CG2 3.44Å; S116-V120 PolarHBondContact O-N 3.4Å; D117-V120 PolarHBondContact O-N 3.35Å; V120-S122 VanDerWaalsContact C-N 3.33Å; V120-S122 PolarHBondContact O-N 3.3Å; V120-D123 PolarHBondContact O-N 3.22Å; V120-Q124 HydrophobicContact CG1-CG 4.45Å; V120-Q124 WeakPolarHBondContact O-CB 3.45Å; V120-Q124 VanDerWaalsContact O-CG 3.32Å; V120-Q124 WeakPolarHBondContact O-CG 2.99Å; V120-Q124 PolarHBondContact O-N 2.93Å |
| 121 | V | 75 | Confident | 70.5 | Confident | 66 Ų | 66 | 91.9 Ų | 91.9 | 40% | 0.4 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 175 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | D117 I118 Q119 D123 Q124 N125 T135 | D117-V121 WeakPolarHBondContact O-CB 3.48Å; D117-V121 VanDerWaalsContact O-CG2 3.25Å; D117-V121 WeakPolarHBondContact O-CG2 3.22Å; D117-V121 PolarHBondContact O-N 2.91Å; I118-V121 PolarHBondContact O-N 3.1Å; Q119-V121 VanDerWaalsContact C-N 3.32Å; Q119-V121 PolarHBondContact O-N 3.44Å; V121-D123 VanDerWaalsContact C-N 3.35Å; V121-Q124 PolarHBondContact O-N 3.14Å; V121-N125 VanDerWaalsContact O-CB 3.27Å; V121-N125 WeakPolarHBondContact O-CB 3.36Å; V121-N125 PolarHBondContact O-N 3.49Å; V121-T135 HydrophobicContact CG1-CG2 4.02Å |
| 122 | S | 71.8 | Confident | 68.8 | Low | 54 Ų | 54 | 95.2 Ų | 95.2 | 38% | 0.378 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 111.6 | I118 Q119 V120 | I118-S122 VanDerWaalsContact O-CB 3.32Å; I118-S122 WeakPolarHBondContact O-CB 3.47Å; I118-S122 PolarHBondContact O-N 2.92Å; Q119-S122 WeakPolarHBondContact O-CA 3.34Å; Q119-S122 WeakPolarHBondContact O-CB 3.48Å; Q119-S122 PolarHBondContact O-N 3.35Å; Q119-S122 VanDerWaalsContact O-N 3.1Å; V120-S122 VanDerWaalsContact C-N 3.33Å; V120-S122 PolarHBondContact O-N 3.3Å |
| 123 | D | 66 | Low | 67.2 | Low | 117 Ų | 117 | 97.3 Ų | 97.3 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 176.5 | -70.4 | -22.8 | 0 | 0 | 0 | 111.3 | Q119 V120 V121 N126 | Q119-D123 PolarHBondContact O-N 2.74Å; V120-D123 PolarHBondContact O-N 3.22Å; V121-D123 VanDerWaalsContact C-N 3.35Å; D123-N126 PolarHBondContact O-ND2 3Å |
| 124 | Q | 62.9 | Low | 65.9 | Low | 124 Ų | 124 | 94.6 Ų | 94.6 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73.5 | -32.1 | 177.5 | -71.2 | -178.7 | 7.2 | 0 | 0 | 113.6 | V120 V121 N126 L127 | V120-Q124 HydrophobicContact CG1-CG 4.45Å; V120-Q124 WeakPolarHBondContact O-CB 3.45Å; V120-Q124 VanDerWaalsContact O-CG 3.32Å; V120-Q124 WeakPolarHBondContact O-CG 2.99Å; V120-Q124 PolarHBondContact O-N 2.93Å; V121-Q124 PolarHBondContact O-N 3.14Å; Q124-N126 PolarHBondContact O-N 3.36Å; Q124-N126 VanDerWaalsContact O-N 3.11Å; Q124-L127 VanDerWaalsContact O-CB 3.31Å; Q124-L127 WeakPolarHBondContact O-CB 3.24Å; Q124-L127 PolarHBondContact O-N 2.95Å |
| 125 | N | 56.8 | Low | 65 | Low | 50 Ų | 50 | 91.5 Ų | 91.5 | 27% | 0.267 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -67.8 | -10.6 | -179.4 | -122.2 | -1.2 | 0 | 0 | 0 | 112.7 | V121 L127 N128 | V121-N125 VanDerWaalsContact O-CB 3.27Å; V121-N125 WeakPolarHBondContact O-CB 3.36Å; V121-N125 PolarHBondContact O-N 3.49Å; N125-L127 PolarHBondContact O-N 3.11Å; N125-N128 PolarHBondContact O-N 2.92Å; N125-N128 PolarHBondContact OD1-O 3.49Å; N125-N128 VanDerWaalsContact OD1-O 3.12Å |
| 126 | N | 53.9 | Low | 64.4 | Low | 140 Ų | 140 | 93.6 Ų | 93.6 | 75% | 0.749 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -57.9 | -13.1 | 162.3 | -73.9 | -52.7 | 0 | 0 | 0 | 112.8 | D123 Q124 | D123-N126 PolarHBondContact O-ND2 3Å; Q124-N126 PolarHBondContact O-N 3.36Å; Q124-N126 VanDerWaalsContact O-N 3.11Å |
| 127 | L | 53.3 | Low | 64 | Low | 156 Ų | 156 | 97 Ų | 97 | 82% | 0.817 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -101.9 | -9.9 | 177.9 | -64.2 | 165.5 | 0 | 0 | 0 | 114.7 | Q124 N125 | Q124-L127 VanDerWaalsContact O-CB 3.31Å; Q124-L127 WeakPolarHBondContact O-CB 3.24Å; Q124-L127 PolarHBondContact O-N 2.95Å; N125-L127 PolarHBondContact O-N 3.11Å |
| 128 | N | 48.2 | Very low | 63.8 | Low | 117 Ų | 117 | 97.7 Ų | 97.7 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | trans | -147.1 | 114.7 | 177.6 | -129.1 | -18.5 | 0 | 0 | 0 | 114 | N125 K130 | N125-N128 PolarHBondContact O-N 2.92Å; N125-N128 PolarHBondContact OD1-O 3.49Å; N125-N128 VanDerWaalsContact OD1-O 3.12Å; N128-K130 PolarHBondContact O-N 2.79Å | ||
| 129 | P | 50.9 | Low | 63.7 | Low | 112 Ų | 112 | 99 Ų | 99 | 73% | 0.727 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 20.7 | -159.4 | 37.3 | -39.9 | 0 | 0 | 0 | 116 | ||
| 130 | K | 50.1 | Low | 63.9 | Low | 194 Ų | 194 | 97 Ų | 97 | 84% | 0.843 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -18.7 | -171.2 | -92.9 | -178.1 | 176.8 | 178.6 | 0 | 117.1 | N128 | N128-K130 PolarHBondContact O-N 2.79Š|
| 131 | E | 47.6 | Very low | 63.9 | Low | 140 Ų | 140 | 96.2 Ų | 96.2 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | trans | -146.6 | 61.2 | 178.3 | -62.7 | -171.2 | 179.3 | 0 | 0 | 114.6 | I133 | E131-I133 VanDerWaalsContact C-N 3.33Å; E131-I133 PolarHBondContact O-N 3.31Å | ||
| 132 | P | 53.7 | Low | 64.3 | Low | 78 Ų | 78 | 93.4 Ų | 93.4 | 51% | 0.506 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.5 | -20.2 | 178.6 | 28.7 | -34 | 0 | 0 | 0 | 114.1 | T135 | P132-T135 PolarHBondContact O-OG1 2.84Å |
| 133 | I | 52.1 | Low | 64.9 | Low | 146 Ų | 146 | 94.6 Ų | 94.6 | 75% | 0.749 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -76.7 | -29.4 | -171.1 | -59.2 | 163.1 | 0 | 0 | 0 | 111.4 | E131 | E131-I133 VanDerWaalsContact C-N 3.33Å; E131-I133 PolarHBondContact O-N 3.31Å |
| 134 | S | 60.3 | Low | 65.9 | Low | 64 Ų | 64 | 93.6 Ų | 93.6 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.9 | -32.5 | -177.5 | -60.9 | 0 | 0 | 0 | 0 | 112.8 | L138 | S134-L138 WeakPolarHBondContact O-CB 3.37Å; S134-L138 WeakPolarHBondContact O-CD1 3.47Å; S134-L138 VanDerWaalsContact O-CG 3.22Å; S134-L138 WeakPolarHBondContact O-CG 3.18Å; S134-L138 PolarHBondContact O-N 3.48Å |
| 135 | T | 68.6 | Low | 67 | Low | 23 Ų | 23 | 91.3 Ų | 91.3 | 14% | 0.141 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -71.6 | -42 | -175.4 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | V121 P132 L138 L139 | V121-T135 HydrophobicContact CG1-CG2 4.02Å; P132-T135 PolarHBondContact O-OG1 2.84Å; T135-L138 PolarHBondContact O-N 3.4Å; T135-L139 WeakPolarHBondContact O-CB 3.32Å; T135-L139 PolarHBondContact O-N 2.86Å |
| 136 | A | 72.3 | Confident | 68.3 | Low | 67 Ų | 67 | 90.5 Ų | 90.5 | 55% | 0.554 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.9 | -39.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L139 S140 | A136-L139 PolarHBondContact O-N 3.31Å; A136-S140 PolarHBondContact O-N 3.29Å; A136-S140 VanDerWaalsContact O-N 3.09Å |
| 137 | H | 75.8 | Confident | 69.7 | Low | 130 Ų | 130 | 90.1 Ų | 90.1 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.8 | -39.3 | 176.2 | -167 | -97.4 | 0 | 0 | 0 | 111.6 | S140 C141 | H137-S140 PolarHBondContact O-N 2.82Å; H137-C141 WeakPolarHBondContact O-CB 3.44Å; H137-C141 PolarHBondContact O-N 3.06Å; H137-C141 PolarHBondContact O-SG 3Å; H137-C141 VanDerWaalsContact O-SG 3.37Å |
| 138 | L | 78.9 | Confident | 71.1 | Confident | 95 Ų | 95 | 89.8 Ų | 89.8 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 173.5 | -77.8 | 168.9 | 0 | 0 | 0 | 112.1 | I118 S134 T135 C141 A142 | I118-L138 HydrophobicContact CD1-CB 3.92Å; S134-L138 WeakPolarHBondContact O-CB 3.37Å; S134-L138 WeakPolarHBondContact O-CD1 3.47Å; S134-L138 VanDerWaalsContact O-CG 3.22Å; S134-L138 WeakPolarHBondContact O-CG 3.18Å; S134-L138 PolarHBondContact O-N 3.48Å; T135-L138 PolarHBondContact O-N 3.4Å; L138-C141 PolarHBondContact O-N 2.99Å; L138-A142 WeakPolarHBondContact O-CB 3.42Å; L138-A142 PolarHBondContact O-N 3.44Å |
| 139 | L | 80.8 | Confident | 72.6 | Confident | 43 Ų | 43 | 85 Ų | 85 | 23% | 0.225 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62 | -47.1 | 176.7 | -169.4 | 133.4 | 0 | 0 | 0 | 111.3 | I118 Q119 T135 A136 C141 A142 E143 | I118-L139 HydrophobicContact CG2-CB 3.93Å; I118-L139 HydrophobicContact CG2-CD1 3.94Å; I118-L139 HydrophobicContact CG2-CG 4.46Å; Q119-L139 HydrophobicContact CG-CD1 4.15Å; T135-L139 WeakPolarHBondContact O-CB 3.32Å; T135-L139 PolarHBondContact O-N 2.86Å; A136-L139 PolarHBondContact O-N 3.31Å; L139-C141 VanDerWaalsContact C-N 3.35Å; L139-C141 PolarHBondContact O-N 3.21Å; L139-A142 PolarHBondContact O-N 3.44Å; L139-E143 HydrophobicContact CD2-CG 4.47Å; L139-E143 WeakPolarHBondContact CD2-OE1 3.35Å; L139-E143 WeakPolarHBondContact O-CG 3.22Å; L139-E143 PolarHBondContact O-N 3.41Å |
| 140 | S | 82.6 | Confident | 74 | Confident | 57 Ų | 57 | 83.8 Ų | 83.8 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 174.8 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | A136 H137 E143 M144 | A136-S140 PolarHBondContact O-N 3.29Å; A136-S140 VanDerWaalsContact O-N 3.09Å; H137-S140 PolarHBondContact O-N 2.82Å; S140-E143 PolarHBondContact O-N 3.33Å; S140-M144 WeakPolarHBondContact O-CG 3.46Å; S140-M144 PolarHBondContact O-N 3.43Å |
| 141 | C | 80 | Confident | 75.4 | Confident | 48 Ų | 48 | 80 Ų | 80 | 32% | 0.324 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 175.2 | -75.9 | 0 | 0 | 0 | 0 | 112.8 | H137 L138 L139 M144 L145 | H137-C141 WeakPolarHBondContact O-CB 3.44Å; H137-C141 PolarHBondContact O-N 3.06Å; H137-C141 PolarHBondContact O-SG 3Å; H137-C141 VanDerWaalsContact O-SG 3.37Å; L138-C141 PolarHBondContact O-N 2.99Å; L139-C141 VanDerWaalsContact C-N 3.35Å; L139-C141 PolarHBondContact O-N 3.21Å; C141-M144 HydrophobicContact CB-CE 4.49Å; C141-M144 PolarHBondContact O-N 2.88Å; C141-L145 WeakPolarHBondContact O-CB 3.26Å; C141-L145 PolarHBondContact O-N 3.02Å |
| 142 | A | 83.8 | Confident | 76.6 | Confident | 7 Ų | 7 | 77.1 Ų | 77.1 | 6% | 0.058 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L114 I115 I118 L138 L139 L145 S146 | L114-A142 HydrophobicContact CD2-CB 4.46Å; I115-A142 HydrophobicContact CD1-CB 4.38Å; I115-A142 HydrophobicContact CG1-CB 3.69Å; I118-A142 HydrophobicContact CD1-CB 4.33Å; L138-A142 WeakPolarHBondContact O-CB 3.42Å; L138-A142 PolarHBondContact O-N 3.44Å; L139-A142 PolarHBondContact O-N 3.44Å; A142-L145 PolarHBondContact O-N 2.93Å; A142-S146 PolarHBondContact O-N 2.94Å |
| 143 | E | 85.5 | Confident | 77.3 | Confident | 78 Ų | 78 | 78.3 Ų | 78.3 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 172.9 | -73.3 | -175.4 | -177.9 | 0 | 0 | 112.9 | L139 S140 L145 S146 K147 | L139-E143 HydrophobicContact CD2-CG 4.47Å; L139-E143 WeakPolarHBondContact CD2-OE1 3.35Å; L139-E143 WeakPolarHBondContact O-CG 3.22Å; L139-E143 PolarHBondContact O-N 3.41Å; S140-E143 PolarHBondContact O-N 3.33Å; E143-L145 VanDerWaalsContact C-N 3.26Å; E143-L145 PolarHBondContact O-N 3.1Å; E143-S146 PolarHBondContact O-OG 3.49Å; E143-K147 WeakPolarHBondContact O-CB 3.34Å; E143-K147 VanDerWaalsContact O-CG 3.27Å; E143-K147 WeakPolarHBondContact O-CG 3.48Å; E143-K147 PolarHBondContact O-N 2.78Å |
| 144 | M | 85.9 | Confident | 77.7 | Confident | 97 Ų | 97 | 74.7 Ų | 74.7 | 48% | 0.478 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 172.9 | -75.5 | -166.9 | -62.7 | 0 | 0 | 111.3 | S140 C141 K148 | S140-M144 WeakPolarHBondContact O-CG 3.46Å; S140-M144 PolarHBondContact O-N 3.43Å; C141-M144 HydrophobicContact CB-CE 4.49Å; C141-M144 PolarHBondContact O-N 2.88Å; M144-K148 WeakPolarHBondContact O-CG 3.34Å; M144-K148 PolarHBondContact O-N 3.34Å |
| 145 | L | 85.9 | Confident | 77.6 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 39% | 0.393 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70.1 | -43.2 | 179.3 | -169.3 | 115.6 | 0 | 0 | 0 | 111.5 | T111 C141 A142 E143 K147 K148 L149 | T111-L145 HydrophobicContact CG2-CD2 3.04Å; C141-L145 WeakPolarHBondContact O-CB 3.26Å; C141-L145 PolarHBondContact O-N 3.02Å; A142-L145 PolarHBondContact O-N 2.93Å; E143-L145 VanDerWaalsContact C-N 3.26Å; E143-L145 PolarHBondContact O-N 3.1Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 2.73Å; L145-K148 PolarHBondContact O-N 3.45Å; L145-K148 VanDerWaalsContact O-N 3.15Å; L145-L149 HydrophobicContact CD2-CD1 3.92Å; L145-L149 HydrophobicContact CG-CD1 4.42Å; L145-L149 WeakPolarHBondContact O-CG 3.47Å; L145-L149 PolarHBondContact O-N 2.9Å |
| 146 | S | 83.8 | Confident | 77.1 | Confident | 34 Ų | 34 | 80.5 Ų | 80.5 | 24% | 0.238 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 175 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | A142 E143 L149 S150 | A142-S146 PolarHBondContact O-N 2.94Å; E143-S146 PolarHBondContact O-OG 3.49Å; S146-L149 PolarHBondContact O-N 2.84Å; S146-S150 WeakPolarHBondContact O-CB 3.39Å; S146-S150 PolarHBondContact O-N 3.29Å |
| 147 | K | 84.2 | Confident | 76.2 | Confident | 132 Ų | 132 | 79.8 Ų | 79.8 | 57% | 0.574 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 172.1 | -73.8 | 170.5 | -176 | 166 | 0 | 112.3 | E143 L145 S150 T151 | E143-K147 WeakPolarHBondContact O-CB 3.34Å; E143-K147 VanDerWaalsContact O-CG 3.27Å; E143-K147 WeakPolarHBondContact O-CG 3.48Å; E143-K147 PolarHBondContact O-N 2.78Å; L145-K147 VanDerWaalsContact C-N 3.31Å; L145-K147 PolarHBondContact O-N 2.73Å; K147-S150 PolarHBondContact O-N 3.3Å; K147-T151 PolarHBondContact O-N 3.11Å; K147-T151 VanDerWaalsContact O-N 3.1Å; K147-T151 PolarHBondContact O-OG1 3.21Å |
| 148 | K | 83.3 | Confident | 75 | Confident | 148 Ų | 148 | 76.6 Ų | 76.6 | 64% | 0.643 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64 | -43 | 175.8 | -76.5 | -179.2 | 178.8 | -177.6 | 0 | 112 | M144 L145 T151 I152 | M144-K148 WeakPolarHBondContact O-CG 3.34Å; M144-K148 PolarHBondContact O-N 3.34Å; L145-K148 PolarHBondContact O-N 3.45Å; L145-K148 VanDerWaalsContact O-N 3.15Å; K148-T151 WeakPolarHBondContact O-CB 3.2Å; K148-T151 PolarHBondContact O-N 2.85Å; K148-I152 PolarHBondContact O-N 3.06Å |
| 149 | L | 79.2 | Confident | 73.6 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 8% | 0.084 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.5 | -67 | 175.4 | 0 | 0 | 0 | 111.3 | F104 L107 T111 L145 S146 T151 I152 | F104-L149 HydrophobicContact CD2-CD2 4.45Å; F104-L149 HydrophobicContact CE2-CB 4.33Å; F104-L149 HydrophobicContact CE2-CD2 4.1Å; F104-L149 VanDerWaalsContact CZ-O 3.22Å; F104-L149 WeakPolarHBondContact CZ-O 3.4Å; L107-L149 HydrophobicContact CD2-CD1 4.18Å; L107-L149 HydrophobicContact CD2-CD2 3.73Å; L107-L149 HydrophobicContact CG-CD1 3.95Å; L107-L149 HydrophobicContact CG-CD2 4.38Å; T111-L149 HydrophobicContact CG2-CD1 3.97Å; L145-L149 HydrophobicContact CD2-CD1 3.92Å; L145-L149 HydrophobicContact CG-CD1 4.42Å; L145-L149 WeakPolarHBondContact O-CG 3.47Å; L145-L149 PolarHBondContact O-N 2.9Å; S146-L149 PolarHBondContact O-N 2.84Å; L149-T151 VanDerWaalsContact C-N 3.27Å; L149-T151 PolarHBondContact O-N 3.12Å; L149-I152 PolarHBondContact O-N 2.9Å; L149-I152 VanDerWaalsContact O-N 3.15Å |
| 150 | S | 79.3 | Confident | 72.1 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 62% | 0.615 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -59.7 | -33.4 | 174.4 | 167.6 | 0 | 0 | 0 | 0 | 113.7 | S146 K147 I152 | S146-S150 WeakPolarHBondContact O-CB 3.39Å; S146-S150 PolarHBondContact O-N 3.29Å; K147-S150 PolarHBondContact O-N 3.3Å; S150-I152 VanDerWaalsContact C-N 3.29Å; S150-I152 PolarHBondContact O-N 2.9Å |
| 151 | T | 80.1 | Confident | 70.1 | Confident | 115 Ų | 115 | 81.3 Ų | 81.3 | 71% | 0.706 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69 | -29.8 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 112 | K147 K148 L149 N153 | K147-T151 PolarHBondContact O-N 3.11Å; K147-T151 VanDerWaalsContact O-N 3.1Å; K147-T151 PolarHBondContact O-OG1 3.21Å; K148-T151 WeakPolarHBondContact O-CB 3.2Å; K148-T151 PolarHBondContact O-N 2.85Å; L149-T151 VanDerWaalsContact C-N 3.27Å; L149-T151 PolarHBondContact O-N 3.12Å; T151-N153 PolarHBondContact O-N 3.26Å |
| 152 | I | 73.5 | Confident | 68.4 | Low | 79 Ų | 79 | 85.1 Ų | 85.1 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -75.8 | 95.2 | 176.5 | -59.2 | 169.6 | 0 | 0 | 0 | 107.2 | F104 K148 L149 S150 L157 | F104-I152 HydrophobicContact CE2-CB 3.93Å; F104-I152 HydrophobicContact CE2-CG2 4.04Å; F104-I152 HydrophobicContact CZ-CB 4.33Å; F104-I152 WeakPolarHBondContact CZ-O 2.99Å; K148-I152 PolarHBondContact O-N 3.06Å; L149-I152 PolarHBondContact O-N 2.9Å; L149-I152 VanDerWaalsContact O-N 3.15Å; S150-I152 VanDerWaalsContact C-N 3.29Å; S150-I152 PolarHBondContact O-N 2.9Å; I152-L157 HydrophobicContact CG2-CD1 3.45Å; I152-L157 VanDerWaalsContact CG2-CD1 3.45Å |
| 153 | N | 67.4 | Low | 66.5 | Low | 103 Ų | 103 | 92.2 Ų | 92.2 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | trans | -65 | 127.2 | -177.5 | -119.8 | -26.6 | 0 | 0 | 0 | 109.9 | T151 A155 E156 | T151-N153 PolarHBondContact O-N 3.26Å; N153-A155 PolarHBondContact O-N 3.36Å; N153-E156 PolarHBondContact O-N 3.1Å; N153-E156 VanDerWaalsContact O-N 3.07Å | ||
| 154 | P | 60.6 | Low | 64.5 | Low | 69 Ų | 69 | 91.6 Ų | 91.6 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -20.5 | 179.9 | 24.9 | -34.7 | 0 | 0 | 0 | 112.9 | S158 | P154-S158 PolarHBondContact O-N 3.31Å; P154-S158 VanDerWaalsContact O-N 3.08Å; P154-S158 PolarHBondContact O-OG 3.46Å |
| 155 | A | 57.3 | Low | 63 | Low | 63 Ų | 63 | 91.2 Ų | 91.2 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N153 S158 T159 | N153-A155 PolarHBondContact O-N 3.36Å; A155-S158 PolarHBondContact O-N 3.45Å; A155-T159 WeakPolarHBondContact O-CG2 3.32Å; A155-T159 PolarHBondContact O-N 3.49Å |
| 156 | E | 59.7 | Low | 61.4 | Low | 147 Ų | 147 | 94.2 Ų | 94.2 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.1 | -40 | 179.7 | -71.9 | -165.3 | 171.5 | 0 | 0 | 111.8 | N153 S158 T159 | N153-E156 PolarHBondContact O-N 3.1Å; N153-E156 VanDerWaalsContact O-N 3.07Å; E156-S158 PolarHBondContact O-N 2.86Å; E156-T159 PolarHBondContact O-N 3.43Å; E156-T159 VanDerWaalsContact O-N 3.09Å; E156-T159 PolarHBondContact O-OG1 3.31Å |
| 157 | L | 51.8 | Low | 60 | Low | 52 Ų | 52 | 96.2 Ų | 96.2 | 27% | 0.272 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.2 | -30.6 | 173.7 | -84.4 | 110.6 | 0 | 0 | 0 | 112.5 | L100 I152 T159 V160 | L100-L157 HydrophobicContact CB-CD2 4.06Å; I152-L157 HydrophobicContact CG2-CD1 3.45Å; I152-L157 VanDerWaalsContact CG2-CD1 3.45Å; L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 PolarHBondContact O-N 2.96Å; L157-V160 PolarHBondContact O-N 3.49Å |
| 158 | S | 51.3 | Low | 58.6 | Low | 63 Ų | 63 | 92.7 Ų | 92.7 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.4 | -28.1 | 173.9 | -62 | 0 | 0 | 0 | 0 | 112.4 | P154 A155 E156 V160 C161 | P154-S158 PolarHBondContact O-N 3.31Å; P154-S158 VanDerWaalsContact O-N 3.08Å; P154-S158 PolarHBondContact O-OG 3.46Å; A155-S158 PolarHBondContact O-N 3.45Å; E156-S158 PolarHBondContact O-N 2.86Å; S158-V160 VanDerWaalsContact C-N 3.28Å; S158-V160 PolarHBondContact O-N 3.32Å; S158-C161 WeakPolarHBondContact O-CB 3.3Å; S158-C161 PolarHBondContact O-N 2.81Å |
| 159 | T | 50.3 | Low | 57.4 | Low | 96 Ų | 96 | 87.9 Ų | 87.9 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.9 | -24.9 | 179.5 | 66.2 | 0 | 0 | 0 | 0 | 114.2 | A155 E156 L157 C161 | A155-T159 WeakPolarHBondContact O-CG2 3.32Å; A155-T159 PolarHBondContact O-N 3.49Å; E156-T159 PolarHBondContact O-N 3.43Å; E156-T159 VanDerWaalsContact O-N 3.09Å; E156-T159 PolarHBondContact O-OG1 3.31Å; L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 PolarHBondContact O-N 2.96Å; T159-C161 PolarHBondContact O-N 3.31Å |
| 160 | V | 48.5 | Very low | 56.5 | Low | 120 Ų | 120 | 93.7 Ų | 93.7 | 73% | 0.727 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -14.1 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | L157 S158 L162 | L157-V160 PolarHBondContact O-N 3.49Å; S158-V160 VanDerWaalsContact C-N 3.28Å; S158-V160 PolarHBondContact O-N 3.32Å; V160-L162 PolarHBondContact O-N 2.85Å |
| 161 | C | 40.9 | Very low | 55.8 | Low | 77 Ų | 77 | 93.7 Ų | 93.7 | 52% | 0.52 | 56% | 0.556 | S | S | . | * | trans | -93.3 | 66.1 | 175.6 | -157.4 | 0 | 0 | 0 | 0 | 110.5 | S158 T159 D163 | S158-C161 WeakPolarHBondContact O-CB 3.3Å; S158-C161 PolarHBondContact O-N 2.81Å; T159-C161 PolarHBondContact O-N 3.31Å; C161-D163 PolarHBondContact O-N 2.91Å; C161-D163 VanDerWaalsContact O-N 3.17Å | ||
| 162 | L | 43.1 | Very low | 55.2 | Low | 128 Ų | 128 | 92.9 Ų | 92.9 | 67% | 0.67 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 11.9 | -177 | -118.3 | 150.4 | 0 | 0 | 0 | 114.4 | V160 | V160-L162 PolarHBondContact O-N 2.85Š|
| 163 | D | 44.2 | Very low | 55 | Low | 157 Ų | 157 | 94.5 Ų | 94.5 | 84% | 0.84 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 10.9 | -174.8 | -64.8 | -16.4 | 0 | 0 | 0 | 113.7 | C161 | C161-D163 PolarHBondContact O-N 2.91Å; C161-D163 VanDerWaalsContact O-N 3.17Å |
| 164 | S | 45.1 | Very low | 55.3 | Low | 64 Ų | 64 | 92.5 Ų | 92.5 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | trans | -108.5 | 86.1 | 177.2 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | D166 T167 | S164-D166 PolarHBondContact O-N 3.48Å; S164-T167 PolarHBondContact O-N 3.25Å; S164-T167 PolarHBondContact O-OG1 3.47Å | ||
| 165 | S | 52.5 | Low | 56 | Low | 90 Ų | 90 | 95.5 Ų | 95.5 | 63% | 0.629 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -40.9 | -36.5 | -176.7 | -172.4 | 0 | 0 | 0 | 0 | 115.3 | T167 V168 | S165-T167 VanDerWaalsContact C-N 3.27Å; S165-T167 PolarHBondContact O-N 2.83Å; S165-V168 PolarHBondContact O-N 2.79Å |
| 166 | D | 52.5 | Low | 56.8 | Low | 138 Ų | 138 | 95.7 Ų | 95.7 | 74% | 0.738 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.8 | -19.8 | -175.2 | -144.5 | 22.5 | 0 | 0 | 0 | 113.7 | S164 | S164-D166 PolarHBondContact O-N 3.48Å |
| 167 | T | 54.6 | Low | 57.5 | Low | 75 Ų | 75 | 92.5 Ų | 92.5 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -85.5 | -22.2 | 178.7 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | S164 S165 Q170 T171 | S164-T167 PolarHBondContact O-N 3.25Å; S164-T167 PolarHBondContact O-OG1 3.47Å; S165-T167 VanDerWaalsContact C-N 3.27Å; S165-T167 PolarHBondContact O-N 2.83Å; T167-Q170 PolarHBondContact O-N 2.78Å; T167-T171 WeakPolarHBondContact O-CB 3.41Å; T167-T171 PolarHBondContact O-N 3.26Å; T167-T171 PolarHBondContact O-OG1 2.8Å |
| 168 | V | 55 | Low | 58.6 | Low | 58 Ų | 58 | 99.2 Ų | 99.2 | 35% | 0.352 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.2 | -41.7 | -176.5 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | S165 T171 L172 | S165-V168 PolarHBondContact O-N 2.79Å; V168-T171 WeakPolarHBondContact CA-OG1 3.37Å; V168-T171 PolarHBondContact O-OG1 3.34Å; V168-T171 VanDerWaalsContact O-OG1 3.07Å; V168-L172 HydrophobicContact CG1-CD1 4.4Å; V168-L172 VanDerWaalsContact O-CB 3.32Å; V168-L172 WeakPolarHBondContact O-CB 3.48Å; V168-L172 PolarHBondContact O-N 3.18Å |
| 169 | G | 58.4 | Low | 59.5 | Low | 48 Ų | 48 | 99.6 Ų | 99.6 | 50% | 0.495 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L172 H173 | G169-L172 PolarHBondContact O-N 2.9Å; G169-H173 VanDerWaalsContact O-CB 3.26Å; G169-H173 WeakPolarHBondContact O-CB 3.39Å; G169-H173 PolarHBondContact O-N 2.87Å |
| 170 | Q | 61.2 | Low | 60.5 | Low | 137 Ų | 137 | 100 Ų | 100 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70 | -37.4 | 179.3 | -64.3 | -168.2 | 22.9 | 0 | 0 | 112.6 | T167 H173 S174 | T167-Q170 PolarHBondContact O-N 2.78Å; Q170-H173 PolarHBondContact O-N 2.78Å; Q170-S174 VanDerWaalsContact O-CB 3.24Å; Q170-S174 WeakPolarHBondContact O-CB 3.5Å; Q170-S174 PolarHBondContact O-N 3.01Å; Q170-S174 PolarHBondContact O-OG 3.31Å |
| 171 | T | 62.6 | Low | 61.5 | Low | 89 Ų | 89 | 98.4 Ų | 98.4 | 55% | 0.546 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 175 | 42.4 | 0 | 0 | 0 | 0 | 111.7 | T167 V168 S174 K175 | T167-T171 WeakPolarHBondContact O-CB 3.41Å; T167-T171 PolarHBondContact O-N 3.26Å; T167-T171 PolarHBondContact O-OG1 2.8Å; V168-T171 WeakPolarHBondContact CA-OG1 3.37Å; V168-T171 PolarHBondContact O-OG1 3.34Å; V168-T171 VanDerWaalsContact O-OG1 3.07Å; T171-S174 PolarHBondContact O-N 3.33Å; T171-K175 VanDerWaalsContact O-CB 3.3Å; T171-K175 WeakPolarHBondContact O-CB 3.35Å; T171-K175 PolarHBondContact O-N 3.48Å |
| 172 | L | 67.8 | Low | 62.9 | Low | 97 Ų | 97 | 102.4 Ų | 102.4 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -48 | 171.8 | -102.3 | 164.7 | 0 | 0 | 0 | 111.5 | V168 G169 S174 K175 I176 | V168-L172 HydrophobicContact CG1-CD1 4.4Å; V168-L172 VanDerWaalsContact O-CB 3.32Å; V168-L172 WeakPolarHBondContact O-CB 3.48Å; V168-L172 PolarHBondContact O-N 3.18Å; G169-L172 PolarHBondContact O-N 2.9Å; L172-S174 VanDerWaalsContact C-N 3.31Å; L172-S174 PolarHBondContact O-N 3.07Å; L172-K175 PolarHBondContact O-N 2.98Å; L172-K175 VanDerWaalsContact O-N 3.11Å; L172-I176 WeakPolarHBondContact O-CG1 3.07Å; L172-I176 PolarHBondContact O-N 2.86Å |
| 173 | H | 70.5 | Confident | 63.8 | Low | 114 Ų | 114 | 103.7 Ų | 103.7 | 53% | 0.528 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 177.4 | -177.1 | -94.7 | 0 | 0 | 0 | 111 | G169 Q170 K175 I176 L177 | G169-H173 VanDerWaalsContact O-CB 3.26Å; G169-H173 WeakPolarHBondContact O-CB 3.39Å; G169-H173 PolarHBondContact O-N 2.87Å; Q170-H173 PolarHBondContact O-N 2.78Å; H173-K175 VanDerWaalsContact C-N 3.3Å; H173-K175 PolarHBondContact O-N 2.97Å; H173-I176 PolarHBondContact O-N 3.27Å; H173-L177 VanDerWaalsContact CE1-CD1 3.44Å; H173-L177 WeakPolarHBondContact CE1-CD1 3.25Å; H173-L177 VanDerWaalsContact O-CB 3.26Å; H173-L177 WeakPolarHBondContact O-CB 3.48Å; H173-L177 PolarHBondContact O-N 3.48Å |
| 174 | S | 73.6 | Confident | 64.9 | Low | 60 Ų | 60 | 102.8 Ų | 102.8 | 42% | 0.42 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 176.7 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | Q170 T171 L172 R178 | Q170-S174 VanDerWaalsContact O-CB 3.24Å; Q170-S174 WeakPolarHBondContact O-CB 3.5Å; Q170-S174 PolarHBondContact O-N 3.01Å; Q170-S174 PolarHBondContact O-OG 3.31Å; T171-S174 PolarHBondContact O-N 3.33Å; L172-S174 VanDerWaalsContact C-N 3.31Å; L172-S174 PolarHBondContact O-N 3.07Å; S174-R178 VanDerWaalsContact O-CB 3.31Å; S174-R178 WeakPolarHBondContact O-CB 3.43Å; S174-R178 PolarHBondContact O-N 3.36Å |
| 175 | K | 74.2 | Confident | 65.4 | Low | 133 Ų | 133 | 104.7 Ų | 104.7 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.6 | -41.6 | 175.6 | -167.5 | 175.5 | -177 | 177.3 | 0 | 111.8 | T171 L172 H173 R178 Q179 | T171-K175 VanDerWaalsContact O-CB 3.3Å; T171-K175 WeakPolarHBondContact O-CB 3.35Å; T171-K175 PolarHBondContact O-N 3.48Å; L172-K175 PolarHBondContact O-N 2.98Å; L172-K175 VanDerWaalsContact O-N 3.11Å; H173-K175 VanDerWaalsContact C-N 3.3Å; H173-K175 PolarHBondContact O-N 2.97Å; K175-R178 PolarHBondContact O-N 2.99Å; K175-Q179 WeakPolarHBondContact O-CG 3.32Å; K175-Q179 PolarHBondContact O-N 3.13Å |
| 176 | I | 74.5 | Confident | 65.4 | Low | 66 Ų | 66 | 109.9 Ų | 109.9 | 34% | 0.338 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.5 | -47.1 | 173.3 | -70.3 | 167.4 | 0 | 0 | 0 | 109.6 | L172 H173 R178 Q179 I180 | L172-I176 WeakPolarHBondContact O-CG1 3.07Å; L172-I176 PolarHBondContact O-N 2.86Å; H173-I176 PolarHBondContact O-N 3.27Å; I176-R178 VanDerWaalsContact C-N 3.35Å; I176-R178 PolarHBondContact O-N 3.06Å; I176-Q179 PolarHBondContact O-N 3.28Å; I176-Q179 VanDerWaalsContact O-N 3.15Å; I176-I180 HydrophobicContact CG2-CD1 3.7Å; I176-I180 HydrophobicContact CG2-CG1 4.32Å; I176-I180 WeakPolarHBondContact O-CB 3.43Å; I176-I180 VanDerWaalsContact O-CG1 3.28Å; I176-I180 WeakPolarHBondContact O-CG1 3.31Å; I176-I180 PolarHBondContact O-N 2.92Å |
| 177 | L | 75.6 | Confident | 65.2 | Low | 80 Ų | 80 | 111.7 Ų | 111.7 | 42% | 0.419 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.6 | -39.8 | -179.5 | -147.4 | 151.7 | 0 | 0 | 0 | 111 | H173 I180 D181 | H173-L177 VanDerWaalsContact CE1-CD1 3.44Å; H173-L177 WeakPolarHBondContact CE1-CD1 3.25Å; H173-L177 VanDerWaalsContact O-CB 3.26Å; H173-L177 WeakPolarHBondContact O-CB 3.48Å; H173-L177 PolarHBondContact O-N 3.48Å; L177-I180 PolarHBondContact O-N 2.98Å; L177-D181 WeakPolarHBondContact O-CB 3.29Å; L177-D181 PolarHBondContact O-N 2.92Å |
| 178 | R | 73.9 | Confident | 64.7 | Low | 194 Ų | 194 | 114.7 Ų | 114.7 | 73% | 0.732 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.4 | -45.3 | 169.1 | -94.5 | -170.9 | 179.1 | 124 | -0.8 | 112.8 | S174 K175 I176 I180 D181 E182 | S174-R178 VanDerWaalsContact O-CB 3.31Å; S174-R178 WeakPolarHBondContact O-CB 3.43Å; S174-R178 PolarHBondContact O-N 3.36Å; K175-R178 PolarHBondContact O-N 2.99Å; I176-R178 VanDerWaalsContact C-N 3.35Å; I176-R178 PolarHBondContact O-N 3.06Å; R178-I180 VanDerWaalsContact C-N 3.35Å; R178-D181 PolarHBondContact O-N 3.42Å; R178-E182 WeakPolarHBondContact O-CB 3.29Å; R178-E182 PolarHBondContact O-N 2.84Å |
| 179 | Q | 71 | Confident | 64.2 | Low | 70 Ų | 70 | 116 Ų | 116 | 33% | 0.327 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.4 | -37.2 | 178.3 | -79.4 | -176.2 | -36.3 | 0 | 0 | 111.7 | K175 I176 D181 E182 F183 | K175-Q179 WeakPolarHBondContact O-CG 3.32Å; K175-Q179 PolarHBondContact O-N 3.13Å; I176-Q179 PolarHBondContact O-N 3.28Å; I176-Q179 VanDerWaalsContact O-N 3.15Å; Q179-D181 VanDerWaalsContact C-N 3.34Å; Q179-E182 PolarHBondContact O-N 2.9Å; Q179-F183 WeakPolarHBondContact O-CB 3.33Å; Q179-F183 VanDerWaalsContact O-CD2 3.26Å; Q179-F183 WeakPolarHBondContact O-CD2 3.27Å; Q179-F183 PolarHBondContact O-N 3.25Å |
| 180 | I | 70 | Confident | 63.5 | Low | 106 Ų | 106 | 119.4 Ų | 119.4 | 54% | 0.544 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.8 | -43.5 | 172.7 | -69.4 | 168.1 | 0 | 0 | 0 | 110.3 | I176 L177 R178 F183 K184 | I176-I180 HydrophobicContact CG2-CD1 3.7Å; I176-I180 HydrophobicContact CG2-CG1 4.32Å; I176-I180 WeakPolarHBondContact O-CB 3.43Å; I176-I180 VanDerWaalsContact O-CG1 3.28Å; I176-I180 WeakPolarHBondContact O-CG1 3.31Å; I176-I180 PolarHBondContact O-N 2.92Å; L177-I180 PolarHBondContact O-N 2.98Å; R178-I180 VanDerWaalsContact C-N 3.35Å; I180-F183 CarbonylContact O-C 3.59Å; I180-F183 PolarHBondContact O-N 3.5Å; I180-K184 WeakPolarHBondContact O-CB 3.4Å; I180-K184 PolarHBondContact O-N 3.43Å |
| 181 | D | 69.8 | Low | 62.7 | Low | 86 Ų | 86 | 124.6 Ų | 124.6 | 46% | 0.46 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.7 | -35.4 | 176 | -93.6 | -19.2 | 0 | 0 | 0 | 112.2 | L177 R178 Q179 F183 K184 | L177-D181 WeakPolarHBondContact O-CB 3.29Å; L177-D181 PolarHBondContact O-N 2.92Å; R178-D181 PolarHBondContact O-N 3.42Å; Q179-D181 VanDerWaalsContact C-N 3.34Å; D181-F183 VanDerWaalsContact C-N 3.33Å; D181-K184 VanDerWaalsContact O-CB 3.3Å; D181-K184 WeakPolarHBondContact O-CB 3.23Å; D181-K184 PolarHBondContact O-N 3.34Å; D181-K184 IonicContact OD1-NZ 3.9Å |
| 182 | E | 70 | Confident | 61.6 | Low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67 | -35.7 | 174.5 | -170.3 | 173.3 | -168.5 | 0 | 0 | 111.7 | R178 Q179 K184 | R178-E182 WeakPolarHBondContact O-CB 3.29Å; R178-E182 PolarHBondContact O-N 2.84Å; Q179-E182 PolarHBondContact O-N 2.9Å; E182-K184 VanDerWaalsContact C-N 3.35Å |
| 183 | F | 63.5 | Low | 60.7 | Low | 154 Ų | 154 | 125.7 Ų | 125.7 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83.9 | -6.7 | 172.7 | -82.2 | -72 | 0 | 0 | 0 | 113.9 | Q179 I180 D181 P185 | Q179-F183 WeakPolarHBondContact O-CB 3.33Å; Q179-F183 VanDerWaalsContact O-CD2 3.26Å; Q179-F183 WeakPolarHBondContact O-CD2 3.27Å; Q179-F183 PolarHBondContact O-N 3.25Å; I180-F183 CarbonylContact O-C 3.59Å; I180-F183 PolarHBondContact O-N 3.5Å; D181-F183 VanDerWaalsContact C-N 3.33Å; F183-P185 WeakPolarHBondContact O-CD 3.45Å |
| 184 | K | 66.9 | Low | 59.6 | Low | 139 Ų | 139 | 127.4 Ų | 127.4 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -74.1 | 106.7 | 176.1 | -174.2 | 178.8 | 177.3 | -176.6 | 0 | 107.2 | I180 D181 E182 E186 | I180-K184 WeakPolarHBondContact O-CB 3.4Å; I180-K184 PolarHBondContact O-N 3.43Å; D181-K184 VanDerWaalsContact O-CB 3.3Å; D181-K184 WeakPolarHBondContact O-CB 3.23Å; D181-K184 PolarHBondContact O-N 3.34Å; D181-K184 IonicContact OD1-NZ 3.9Å; E182-K184 VanDerWaalsContact C-N 3.35Å; K184-E186 PolarHBondContact O-N 3.06Å |
| 185 | P | 55.7 | Low | 58.1 | Low | 104 Ų | 104 | 133.1 Ų | 133.1 | 68% | 0.675 | 67% | 0.674 | S | S | * | * | trans | -64.2 | 128.2 | -174.5 | 27 | -33 | 0 | 0 | 0 | 109.7 | F183 K187 | F183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-K187 PolarHBondContact O-N 2.92Å | ||
| 186 | E | 53.2 | Low | 57 | Low | 198 Ų | 198 | 131.7 Ų | 131.7 | 93% | 0.925 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -65.3 | -4.3 | -175.5 | -77.7 | -158.8 | 146.5 | 0 | 0 | 115 | K184 | K184-E186 PolarHBondContact O-N 3.06Š|
| 187 | K | 48 | Very low | 56.1 | Low | 177 Ų | 177 | 136 Ų | 136 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | -136.8 | 121.9 | 173.6 | -92.2 | 175.4 | 178.5 | 169.5 | 0 | 112.1 | P185 A189 | P185-K187 PolarHBondContact O-N 2.92Å; K187-A189 VanDerWaalsContact C-N 3.26Å; K187-A189 PolarHBondContact O-N 3.46Å | ||
| 188 | P | 44.1 | Very low | 55 | Low | 137 Ų | 137 | 139.5 Ų | 139.5 | 89% | 0.89 | 72% | 0.719 | S | S | * | * | trans | -84.2 | 68.9 | 174.7 | 36 | -32.8 | 0 | 0 | 0 | 109.2 | ||||
| 189 | A | 43.5 | Very low | 54.2 | Low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 71% | 0.714 | S | S | * | * | trans | -151.5 | 119.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | K187 | K187-A189 VanDerWaalsContact C-N 3.26Å; K187-A189 PolarHBondContact O-N 3.46Å | ||
| 190 | S | 45 | Very low | 53.7 | Low | 121 Ų | 121 | 138.7 Ų | 138.7 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | trans | 87.8 | 60.3 | 179 | -146.5 | 0 | 0 | 0 | 0 | 116.4 | S192 | S190-S192 PolarHBondContact O-N 3.38Š| ||
| 191 | R | 43.4 | Very low | 53.3 | Low | 246 Ų | 246 | 140.4 Ų | 140.4 | 93% | 0.928 | 73% | 0.729 | S | S | * | * | trans | -63.8 | 112.5 | 148 | -85.1 | 177.6 | 170.8 | 168.5 | -3 | 108.2 | ||||
| 192 | S | 38.9 | Very low | 53.1 | Low | 98 Ų | 98 | 142.3 Ų | 142.3 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | -86 | 125.5 | 146.2 | 58.7 | 0 | 0 | 0 | 0 | 106.8 | S190 N194 | S190-S192 PolarHBondContact O-N 3.38Å; S192-N194 PolarHBondContact O-N 2.98Å; S192-N194 VanDerWaalsContact O-N 3.14Å | ||
| 193 | P | 49.3 | Very low | 52.8 | Low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 1.3 | -165.3 | 30.2 | -34.2 | 0 | 0 | 0 | 114.3 | ||
| 194 | N | 47.2 | Very low | 52.9 | Low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 9 | -166.5 | -77.7 | 5.4 | 0 | 0 | 0 | 116.1 | S192 | S192-N194 PolarHBondContact O-N 2.98Å; S192-N194 VanDerWaalsContact O-N 3.14Å |
| 195 | K | 43.1 | Very low | 52.5 | Low | 180 Ų | 180 | 141.1 Ų | 141.1 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | -137 | 67.1 | 167 | -77 | -175.5 | 178.9 | 177.8 | 0 | 109.9 | N197 | K195-N197 PolarHBondContact O-N 2.85Š| ||
| 196 | S | 51.4 | Low | 52.7 | Low | 103 Ų | 103 | 145.3 Ų | 145.3 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | trans | -67.5 | 90.9 | 161.6 | 56.7 | 0 | 0 | 0 | 0 | 107.5 | H198 | S196-H198 PolarHBondContact O-N 3.06Š| ||
| 197 | N | 53.8 | Low | 53.1 | Low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -62.9 | 84.4 | 163 | -83.5 | 5 | 0 | 0 | 0 | 106.9 | K195 L199 | K195-N197 PolarHBondContact O-N 2.85Å; N197-L199 PolarHBondContact O-N 2.89Å | ||
| 198 | H | 54 | Low | 54.1 | Low | 154 Ų | 154 | 137.4 Ų | 137.4 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | trans | -74.4 | 104.5 | 178.2 | -171.6 | 73.8 | 0 | 0 | 0 | 107.1 | S196 I200 | S196-H198 PolarHBondContact O-N 3.06Å; H198-I200 PolarHBondContact O-N 3.41Å; H198-I200 VanDerWaalsContact O-N 3.17Å | ||
| 199 | L | 57 | Low | 55.4 | Low | 123 Ų | 123 | 133.7 Ų | 133.7 | 64% | 0.644 | 69% | 0.685 | S | S | * | * | trans | -72.8 | 103.3 | 174.4 | -178.6 | 67.9 | 0 | 0 | 0 | 108.1 | N197 Y201 | N197-L199 PolarHBondContact O-N 2.89Å; L199-Y201 HydrophobicContact CD2-CD2 4.11Å; L199-Y201 HydrophobicContact CD2-CE2 4.36Å; L199-Y201 HydrophobicContact CG-CD2 4.23Å; L199-Y201 PolarHBondContact O-N 3.4Å | ||
| 200 | I | 60.1 | Low | 56.9 | Low | 123 Ų | 123 | 133.7 Ų | 133.7 | 63% | 0.631 | 67% | 0.672 | S | S | * | * | trans | -80.9 | 115.6 | 172.9 | -58.8 | 172.3 | 0 | 0 | 0 | 107 | H198 E202 | H198-I200 PolarHBondContact O-N 3.41Å; H198-I200 VanDerWaalsContact O-N 3.17Å; I200-E202 HydrophobicContact CG2-CG 4.33Å | ||
| 201 | Y | 61 | Low | 58.6 | Low | 142 Ų | 142 | 134.4 Ų | 134.4 | 56% | 0.557 | 66% | 0.662 | S | S | * | * | trans | -101.3 | 111.5 | 172.9 | -128 | -89 | 0 | 0 | 0 | 108.9 | L199 I203 | L199-Y201 HydrophobicContact CD2-CD2 4.11Å; L199-Y201 HydrophobicContact CD2-CE2 4.36Å; L199-Y201 HydrophobicContact CG-CD2 4.23Å; L199-Y201 PolarHBondContact O-N 3.4Å; Y201-I203 HydrophobicContact CD1-CG1 4.48Å | ||
| 202 | E | 65.5 | Low | 60.3 | Low | 127 Ų | 127 | 128 Ų | 128 | 59% | 0.593 | 64% | 0.643 | S | S | * | * | trans | -90.3 | 109.7 | 171.4 | -69.5 | -179.9 | 176.2 | 0 | 0 | 108.9 | I200 Y204 | I200-E202 HydrophobicContact CG2-CG 4.33Å; E202-Y204 HydrophobicContact CB-CE2 3.87Å; E202-Y204 PolarHBondContact OE2-OH 2.9Å | ||
| 203 | I | 64.5 | Low | 62.4 | Low | 148 Ų | 148 | 124.7 Ų | 124.7 | 76% | 0.759 | 62% | 0.62 | S | S | * | * | trans | -89.1 | 109.3 | 175.3 | -57.5 | 173.4 | 0 | 0 | 0 | 107.2 | Y201 D205 | Y201-I203 HydrophobicContact CD1-CG1 4.48Å; I203-D205 PolarHBondContact O-N 3.15Å | ||
| 204 | Y | 65.1 | Low | 64.1 | Low | 180 Ų | 180 | 122.9 Ų | 122.9 | 71% | 0.706 | 60% | 0.604 | S | S | * | * | trans | -80.3 | 106.7 | 174.5 | -69.3 | -90.1 | 0 | 0 | 0 | 109.4 | E202 R206 | E202-Y204 HydrophobicContact CB-CE2 3.87Å; E202-Y204 PolarHBondContact OE2-OH 2.9Å; Y204-R206 PolarHBondContact O-N 2.97Å; Y204-R206 VanDerWaalsContact O-N 3.11Å | ||
| 205 | D | 58.2 | Low | 66 | Low | 100 Ų | 100 | 118.7 Ų | 118.7 | 54% | 0.535 | 59% | 0.59 | S | S | . | * | trans | -66 | 106.5 | 172.5 | -179.4 | 19 | 0 | 0 | 0 | 109.8 | I203 K207 | I203-D205 PolarHBondContact O-N 3.15Å; D205-K207 PolarHBondContact O-N 3.08Å | ||
| 206 | R | 60.4 | Low | 68.2 | Low | 192 Ų | 192 | 116.4 Ų | 116.4 | 73% | 0.725 | 58% | 0.582 | S | S | * | * | trans | -75.9 | 81.1 | 169.4 | -66.7 | -177 | 179 | -176.7 | -0.3 | 107.4 | Y204 S208 S209 | Y204-R206 PolarHBondContact O-N 2.97Å; Y204-R206 VanDerWaalsContact O-N 3.11Å; R206-S208 PolarHBondContact O-N 2.82Å; R206-S209 WeakPolarHBondContact O-CB 3.36Å; R206-S209 PolarHBondContact O-N 3.03Å | ||
| 207 | K | 61.4 | Low | 70.1 | Confident | 142 Ų | 142 | 117.3 Ų | 117.3 | 62% | 0.617 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -48.2 | -29.8 | 172.9 | -65.2 | -170.7 | -178.6 | -175.2 | 0 | 112.8 | D205 S209 I210 Q211 | D205-K207 PolarHBondContact O-N 3.08Å; K207-S209 VanDerWaalsContact C-N 3.34Å; K207-S209 PolarHBondContact O-N 2.71Å; K207-I210 PolarHBondContact O-N 3.32Å; K207-Q211 WeakPolarHBondContact O-CB 3.27Å; K207-Q211 VanDerWaalsContact O-CG 3.3Å; K207-Q211 WeakPolarHBondContact O-CG 3.45Å; K207-Q211 PolarHBondContact O-N 3.19Å |
| 208 | S | 68.7 | Low | 72.1 | Confident | 67 Ų | 67 | 114.7 Ų | 114.7 | 47% | 0.469 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -56.7 | -41.7 | 172.7 | -170 | 0 | 0 | 0 | 0 | 113.1 | R206 Q211 Q212 | R206-S208 PolarHBondContact O-N 2.82Å; S208-Q211 PolarHBondContact O-N 2.74Å; S208-Q212 VanDerWaalsContact O-CB 3.32Å; S208-Q212 WeakPolarHBondContact O-CB 3.26Å; S208-Q212 VanDerWaalsContact O-CG 3.22Å; S208-Q212 WeakPolarHBondContact O-CG 3.45Å; S208-Q212 PolarHBondContact O-N 2.94Å |
| 209 | S | 72.5 | Confident | 73.9 | Confident | 59 Ų | 59 | 109.3 Ų | 109.3 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.2 | -37.4 | -179.3 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | R206 K207 Q212 S213 | R206-S209 WeakPolarHBondContact O-CB 3.36Å; R206-S209 PolarHBondContact O-N 3.03Å; K207-S209 VanDerWaalsContact C-N 3.34Å; K207-S209 PolarHBondContact O-N 2.71Å; S209-Q212 PolarHBondContact O-N 2.69Å; S209-S213 WeakPolarHBondContact O-CB 3.43Å; S209-S213 PolarHBondContact O-N 3.15Å |
| 210 | I | 75.2 | Confident | 75.7 | Confident | 86 Ų | 86 | 107.4 Ų | 107.4 | 44% | 0.441 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 174.7 | -62.4 | 169.5 | 0 | 0 | 0 | 109.8 | K207 Q212 S213 D214 | K207-I210 PolarHBondContact O-N 3.32Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 3.04Å; I210-S213 PolarHBondContact O-N 3.09Å; I210-S213 VanDerWaalsContact O-N 3.12Å; I210-S213 PolarHBondContact O-OG 3.41Å; I210-D214 PolarHBondContact O-N 2.89Å |
| 211 | Q | 79.7 | Confident | 77.4 | Confident | 135 Ų | 135 | 104.9 Ų | 104.9 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.6 | -38.7 | 176.1 | -72.9 | 174.3 | -1.5 | 0 | 0 | 112.4 | K207 S208 D214 A215 | K207-Q211 WeakPolarHBondContact O-CB 3.27Å; K207-Q211 VanDerWaalsContact O-CG 3.3Å; K207-Q211 WeakPolarHBondContact O-CG 3.45Å; K207-Q211 PolarHBondContact O-N 3.19Å; S208-Q211 PolarHBondContact O-N 2.74Å; Q211-D214 PolarHBondContact O-N 3.46Å; Q211-A215 VanDerWaalsContact O-CB 3.26Å; Q211-A215 WeakPolarHBondContact O-CB 3.32Å; Q211-A215 PolarHBondContact O-N 2.99Å |
| 212 | Q | 79.9 | Confident | 79.1 | Confident | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 172.8 | -78.8 | 170.9 | -11.6 | 0 | 0 | 111.4 | S208 S209 I210 D214 A215 E216 | S208-Q212 VanDerWaalsContact O-CB 3.32Å; S208-Q212 WeakPolarHBondContact O-CB 3.26Å; S208-Q212 VanDerWaalsContact O-CG 3.22Å; S208-Q212 WeakPolarHBondContact O-CG 3.45Å; S208-Q212 PolarHBondContact O-N 2.94Å; S209-Q212 PolarHBondContact O-N 2.69Å; I210-Q212 VanDerWaalsContact C-N 3.31Å; I210-Q212 PolarHBondContact O-N 3.04Å; Q212-D214 VanDerWaalsContact C-N 3.29Å; Q212-D214 PolarHBondContact O-N 2.9Å; Q212-A215 PolarHBondContact O-N 2.9Å; Q212-E216 WeakPolarHBondContact O-CB 3.35Å; Q212-E216 WeakPolarHBondContact O-CG 3.41Å; Q212-E216 PolarHBondContact O-N 3.4Å |
| 213 | S | 82.5 | Confident | 80.4 | Confident | 29 Ų | 29 | 105.1 Ų | 105.1 | 20% | 0.203 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 177.5 | 77.9 | 0 | 0 | 0 | 0 | 112.7 | S209 I210 K217 | S209-S213 WeakPolarHBondContact O-CB 3.43Å; S209-S213 PolarHBondContact O-N 3.15Å; I210-S213 PolarHBondContact O-N 3.09Å; I210-S213 VanDerWaalsContact O-N 3.12Å; I210-S213 PolarHBondContact O-OG 3.41Å; S213-K217 VanDerWaalsContact O-CG 3.29Å; S213-K217 WeakPolarHBondContact O-CG 3.31Å; S213-K217 PolarHBondContact O-N 2.9Å; S213-K217 VanDerWaalsContact O-N 3.1Å |
| 214 | D | 84.8 | Confident | 81.8 | Confident | 73 Ų | 73 | 104.7 Ų | 104.7 | 39% | 0.39 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -76.3 | -37.1 | 176.1 | -70.4 | -21.3 | 0 | 0 | 0 | 111.3 | I210 Q211 Q212 E216 K217 V218 | I210-D214 PolarHBondContact O-N 2.89Å; Q211-D214 PolarHBondContact O-N 3.46Å; Q212-D214 VanDerWaalsContact C-N 3.29Å; Q212-D214 PolarHBondContact O-N 2.9Å; D214-E216 VanDerWaalsContact C-N 3.31Å; D214-E216 PolarHBondContact O-N 3.36Å; D214-K217 PolarHBondContact O-N 3.49Å; D214-K217 IonicContact OD1-NZ 3.37Å; D214-K217 PolarHBondContact OD1-NZ 3.21Å; D214-V218 VanDerWaalsContact O-CG2 3.29Å; D214-V218 WeakPolarHBondContact O-CG2 3.43Å; D214-V218 PolarHBondContact O-N 2.94Å |
| 215 | A | 88 | Confident | 83.1 | Confident | 62 Ų | 62 | 99.7 Ų | 99.7 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q211 Q212 V218 A219 | Q211-A215 VanDerWaalsContact O-CB 3.26Å; Q211-A215 WeakPolarHBondContact O-CB 3.32Å; Q211-A215 PolarHBondContact O-N 2.99Å; Q212-A215 PolarHBondContact O-N 2.9Å; A215-V218 PolarHBondContact O-N 3.37Å; A215-A219 WeakPolarHBondContact O-CB 3.46Å; A215-A219 PolarHBondContact O-N 2.85Å |
| 216 | E | 89 | Confident | 84.6 | Confident | 131 Ų | 131 | 100.8 Ų | 100.8 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.6 | -43.1 | 174.1 | -76.3 | 172.6 | -172.5 | 0 | 0 | 112.1 | Q212 D214 V218 A219 D220 | Q212-E216 WeakPolarHBondContact O-CB 3.35Å; Q212-E216 WeakPolarHBondContact O-CG 3.41Å; Q212-E216 PolarHBondContact O-N 3.4Å; D214-E216 VanDerWaalsContact C-N 3.31Å; D214-E216 PolarHBondContact O-N 3.36Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.08Å; E216-A219 PolarHBondContact O-N 3.2Å; E216-D220 PolarHBondContact O-N 3.13Å |
| 217 | K | 91.2 | Very high | 86.1 | Confident | 123 Ų | 123 | 99.5 Ų | 99.5 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 173.5 | -70 | 168.1 | -161.3 | 156.2 | 0 | 111.7 | S213 D214 A219 D220 V221 | S213-K217 VanDerWaalsContact O-CG 3.29Å; S213-K217 WeakPolarHBondContact O-CG 3.31Å; S213-K217 PolarHBondContact O-N 2.9Å; S213-K217 VanDerWaalsContact O-N 3.1Å; D214-K217 PolarHBondContact O-N 3.49Å; D214-K217 IonicContact OD1-NZ 3.37Å; D214-K217 PolarHBondContact OD1-NZ 3.21Å; K217-A219 VanDerWaalsContact C-N 3.34Å; K217-D220 PolarHBondContact O-N 3.37Å; K217-V221 WeakPolarHBondContact O-CG2 3.42Å; K217-V221 PolarHBondContact O-N 2.87Å |
| 218 | V | 94.7 | Very high | 87.3 | Confident | 101 Ų | 101 | 97.3 Ų | 97.3 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -41.1 | 175.8 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | D214 A215 E216 D220 V221 D222 | D214-V218 VanDerWaalsContact O-CG2 3.29Å; D214-V218 WeakPolarHBondContact O-CG2 3.43Å; D214-V218 PolarHBondContact O-N 2.94Å; A215-V218 PolarHBondContact O-N 3.37Å; E216-V218 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.08Å; V218-D220 PolarHBondContact O-N 3.25Å; V218-V221 PolarHBondContact O-N 3.18Å; V218-D222 WeakPolarHBondContact O-CB 3.13Å; V218-D222 PolarHBondContact O-N 3.4Å |
| 219 | A | 93.2 | Very high | 88.1 | Confident | 41 Ų | 41 | 99.5 Ų | 99.5 | 34% | 0.339 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.9 | -34.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A215 E216 K217 D222 R223 | A215-A219 WeakPolarHBondContact O-CB 3.46Å; A215-A219 PolarHBondContact O-N 2.85Å; E216-A219 PolarHBondContact O-N 3.2Å; K217-A219 VanDerWaalsContact C-N 3.34Å; A219-D222 PolarHBondContact O-N 2.91Å; A219-R223 WeakPolarHBondContact O-CB 3.18Å; A219-R223 VanDerWaalsContact O-CG 3.23Å; A219-R223 WeakPolarHBondContact O-CG 3.39Å; A219-R223 PolarHBondContact O-N 3.27Å |
| 220 | D | 94.7 | Very high | 88.6 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 172.9 | -173.6 | 62.6 | 0 | 0 | 0 | 111.7 | E216 K217 V218 D222 R223 R224 | E216-D220 PolarHBondContact O-N 3.13Å; K217-D220 PolarHBondContact O-N 3.37Å; V218-D220 PolarHBondContact O-N 3.25Å; D220-D222 VanDerWaalsContact C-N 3.33Å; D220-D222 PolarHBondContact O-N 3.27Å; D220-R223 PolarHBondContact O-N 2.78Å; D220-R224 WeakPolarHBondContact O-CB 3.16Å; D220-R224 VanDerWaalsContact O-CG 3.26Å; D220-R224 WeakPolarHBondContact O-CG 3.47Å; D220-R224 PolarHBondContact O-N 2.85Å |
| 221 | V | 96.2 | Very high | 89 | Confident | 69 Ų | 69 | 103 Ų | 103 | 42% | 0.418 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 173 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | K217 V218 R224 I225 | K217-V221 WeakPolarHBondContact O-CG2 3.42Å; K217-V221 PolarHBondContact O-N 2.87Å; V218-V221 PolarHBondContact O-N 3.18Å; V221-R224 CarbonylContact O-C 3.59Å; V221-R224 WeakPolarHBondContact O-CB 3.3Å; V221-R224 PolarHBondContact O-N 3.37Å; V221-I225 HydrophobicContact CG1-CD1 3.78Å; V221-I225 HydrophobicContact CG1-CG1 4.32Å; V221-I225 VanDerWaalsContact O-CG1 3.32Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 3.41Å |
| 222 | D | 96 | Very high | 88.7 | Confident | 102 Ų | 102 | 102 Ų | 102 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 176.3 | -169.5 | 54.7 | 0 | 0 | 0 | 111.6 | V218 A219 D220 R224 I225 H226 | V218-D222 WeakPolarHBondContact O-CB 3.13Å; V218-D222 PolarHBondContact O-N 3.4Å; A219-D222 PolarHBondContact O-N 2.91Å; D220-D222 VanDerWaalsContact C-N 3.33Å; D220-D222 PolarHBondContact O-N 3.27Å; D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 2.91Å; D222-I225 PolarHBondContact O-N 2.78Å; D222-H226 VanDerWaalsContact O-CB 3.27Å; D222-H226 WeakPolarHBondContact O-CB 3.24Å; D222-H226 PolarHBondContact O-N 3.27Å |
| 223 | R | 93.4 | Very high | 88.3 | Confident | 173 Ų | 173 | 98.3 Ų | 98.3 | 65% | 0.653 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60 | -37.7 | 172.4 | -74.2 | 169.8 | -177.8 | 174.7 | 2.6 | 112.4 | A219 D220 R227 | A219-R223 WeakPolarHBondContact O-CB 3.18Å; A219-R223 VanDerWaalsContact O-CG 3.23Å; A219-R223 WeakPolarHBondContact O-CG 3.39Å; A219-R223 PolarHBondContact O-N 3.27Å; D220-R223 PolarHBondContact O-N 2.78Å; R223-R227 WeakPolarHBondContact O-CB 3.08Å; R223-R227 PolarHBondContact O-N 2.89Å |
| 224 | R | 93.8 | Very high | 87.7 | Confident | 138 Ų | 138 | 105.5 Ų | 105.5 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.1 | -43.4 | 176.9 | -74.1 | 171.1 | 59.6 | -162.2 | -3.6 | 111.7 | D220 V221 D222 H226 R227 I228 | D220-R224 WeakPolarHBondContact O-CB 3.16Å; D220-R224 VanDerWaalsContact O-CG 3.26Å; D220-R224 WeakPolarHBondContact O-CG 3.47Å; D220-R224 PolarHBondContact O-N 2.85Å; V221-R224 CarbonylContact O-C 3.59Å; V221-R224 WeakPolarHBondContact O-CB 3.3Å; V221-R224 PolarHBondContact O-N 3.37Å; D222-R224 VanDerWaalsContact C-N 3.28Å; D222-R224 PolarHBondContact O-N 2.91Å; R224-H226 VanDerWaalsContact C-N 3.34Å; R224-R227 PolarHBondContact O-N 2.76Å; R224-I228 WeakPolarHBondContact O-CG1 3.43Å; R224-I228 PolarHBondContact O-N 2.72Å |
| 225 | I | 92.4 | Very high | 86.6 | Confident | 75 Ų | 75 | 106.8 Ų | 106.8 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.7 | -47.9 | 173.9 | -70.9 | 168.8 | 0 | 0 | 0 | 109.2 | V221 D222 R227 I228 E229 | V221-I225 HydrophobicContact CG1-CD1 3.78Å; V221-I225 HydrophobicContact CG1-CG1 4.32Å; V221-I225 VanDerWaalsContact O-CG1 3.32Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 3.41Å; D222-I225 PolarHBondContact O-N 2.78Å; I225-R227 VanDerWaalsContact C-N 3.27Å; I225-R227 PolarHBondContact O-N 3.3Å; I225-I228 CarbonylContact O-C 3.6Å; I225-I228 WeakPolarHBondContact O-CA 3.48Å; I225-I228 WeakPolarHBondContact O-CB 3.49Å; I225-I228 PolarHBondContact O-N 2.87Å; I225-E229 HydrophobicContact CG2-CG 4.17Å; I225-E229 WeakPolarHBondContact O-CG 3.45Å; I225-E229 PolarHBondContact O-N 3.39Å |
| 226 | H | 89.9 | Confident | 85.3 | Confident | 123 Ų | 123 | 107.6 Ų | 107.6 | 57% | 0.569 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.5 | -37.8 | 178.3 | -161.9 | 68.1 | 0 | 0 | 0 | 112.6 | D222 R224 E229 A230 | D222-H226 VanDerWaalsContact O-CB 3.27Å; D222-H226 WeakPolarHBondContact O-CB 3.24Å; D222-H226 PolarHBondContact O-N 3.27Å; R224-H226 VanDerWaalsContact C-N 3.34Å; H226-E229 IonicContact ND1-OE2 2.99Å; H226-E229 PolarHBondContact O-N 3.06Å; H226-A230 VanDerWaalsContact O-CB 3.31Å; H226-A230 WeakPolarHBondContact O-CB 3.28Å; H226-A230 PolarHBondContact O-N 3.19Å |
| 227 | R | 90.8 | Very high | 84.1 | Confident | 166 Ų | 166 | 105.3 Ų | 105.3 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.8 | -41.2 | 172.7 | -170.4 | -176.7 | -61.4 | 153.3 | 3 | 112 | R223 R224 I225 A230 L231 | R223-R227 WeakPolarHBondContact O-CB 3.08Å; R223-R227 PolarHBondContact O-N 2.89Å; R224-R227 PolarHBondContact O-N 2.76Å; I225-R227 VanDerWaalsContact C-N 3.27Å; I225-R227 PolarHBondContact O-N 3.3Å; R227-A230 PolarHBondContact O-N 3.1Å; R227-L231 HydrophobicContact CG-CD1 4.45Å; R227-L231 VanDerWaalsContact O-CG 3.3Å; R227-L231 WeakPolarHBondContact O-CG 3.43Å; R227-L231 PolarHBondContact O-N 2.78Å |
| 228 | I | 86.9 | Confident | 82.8 | Confident | 95 Ų | 95 | 106.4 Ų | 106.4 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.5 | -41.3 | 176.5 | -68.3 | 166.5 | 0 | 0 | 0 | 110.3 | R224 I225 L231 I232 | R224-I228 WeakPolarHBondContact O-CG1 3.43Å; R224-I228 PolarHBondContact O-N 2.72Å; I225-I228 CarbonylContact O-C 3.6Å; I225-I228 WeakPolarHBondContact O-CA 3.48Å; I225-I228 WeakPolarHBondContact O-CB 3.49Å; I225-I228 PolarHBondContact O-N 2.87Å; I228-L231 PolarHBondContact O-N 2.54Å; I228-I232 HydrophobicContact CG2-CD1 3.52Å; I228-I232 HydrophobicContact CG2-CG1 4.31Å; I228-I232 WeakPolarHBondContact O-CB 3.35Å; I228-I232 VanDerWaalsContact O-CG1 3.26Å; I228-I232 WeakPolarHBondContact O-CG1 3.23Å; I228-I232 PolarHBondContact O-N 2.86Å |
| 229 | E | 84.6 | Confident | 81.3 | Confident | 114 Ų | 114 | 109.7 Ų | 109.7 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64 | -40.9 | 175 | -71.6 | 177.7 | 164.4 | 0 | 0 | 112.1 | I225 H226 L231 G233 | I225-E229 HydrophobicContact CG2-CG 4.17Å; I225-E229 WeakPolarHBondContact O-CG 3.45Å; I225-E229 PolarHBondContact O-N 3.39Å; H226-E229 IonicContact ND1-OE2 2.99Å; H226-E229 PolarHBondContact O-N 3.06Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 2.77Å; E229-G233 WeakPolarHBondContact O-CA 3.41Å; E229-G233 PolarHBondContact O-N 3.33Å |
| 230 | A | 83.4 | Confident | 79.6 | Confident | 76 Ų | 76 | 111.1 Ų | 111.1 | 63% | 0.628 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.1 | -37.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H226 R227 | H226-A230 VanDerWaalsContact O-CB 3.31Å; H226-A230 WeakPolarHBondContact O-CB 3.28Å; H226-A230 PolarHBondContact O-N 3.19Å; R227-A230 PolarHBondContact O-N 3.1Å |
| 231 | L | 82.9 | Confident | 78.2 | Confident | 143 Ų | 143 | 110.9 Ų | 110.9 | 75% | 0.749 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -73.2 | -41.2 | 177.2 | -72.7 | 170.9 | 0 | 0 | 0 | 112.8 | R227 I228 E229 G233 | R227-L231 HydrophobicContact CG-CD1 4.45Å; R227-L231 VanDerWaalsContact O-CG 3.3Å; R227-L231 WeakPolarHBondContact O-CG 3.43Å; R227-L231 PolarHBondContact O-N 2.78Å; I228-L231 PolarHBondContact O-N 2.54Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 2.77Å; L231-G233 VanDerWaalsContact C-N 3.32Å |
| 232 | I | 75.2 | Confident | 76.7 | Confident | 113 Ų | 113 | 112.3 Ų | 112.3 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.6 | -30.4 | 178.8 | -66.5 | 172.1 | 0 | 0 | 0 | 110.7 | I228 | I228-I232 HydrophobicContact CG2-CD1 3.52Å; I228-I232 HydrophobicContact CG2-CG1 4.31Å; I228-I232 WeakPolarHBondContact O-CB 3.35Å; I228-I232 VanDerWaalsContact O-CG1 3.26Å; I228-I232 WeakPolarHBondContact O-CG1 3.23Å; I228-I232 PolarHBondContact O-N 2.86Å |
| 233 | G | 71.1 | Confident | 75 | Confident | 35 Ų | 35 | 112 Ų | 112 | 36% | 0.361 | 58% | 0.582 | S | S | . | * | trans | 74.9 | 158.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E229 L231 | E229-G233 WeakPolarHBondContact O-CA 3.41Å; E229-G233 PolarHBondContact O-N 3.33Å; L231-G233 VanDerWaalsContact C-N 3.32Å | ||
| 234 | Q | 68.6 | Low | 73.6 | Confident | 180 Ų | 180 | 105.1 Ų | 105.1 | 84% | 0.841 | 56% | 0.56 | S | S | * | * | trans | -75.6 | 135 | 167.2 | -66.5 | -170.5 | 22.2 | 0 | 0 | 108.7 | D236 | Q234-D236 PolarHBondContact O-N 2.87Š| ||
| 235 | P | 62.1 | Low | 72.3 | Confident | 99 Ų | 99 | 101 Ų | 101 | 64% | 0.643 | 56% | 0.555 | S | S | * | * | trans | -62.7 | 100.8 | 172.2 | -17 | 29.2 | 0 | 0 | 0 | 108.8 | P237 | P235-P237 WeakPolarHBondContact O-CD 3.1Å; P235-P237 VanDerWaalsContact O-N 3.16Å | ||
| 236 | D | 62 | Low | 71 | Confident | 80 Ų | 80 | 100.6 Ų | 100.6 | 43% | 0.428 | 55% | 0.554 | S | S | . | * | trans | -68.2 | 106.4 | 166.8 | -93.4 | -13.3 | 0 | 0 | 0 | 107 | Q234 N238 K239 | Q234-D236 PolarHBondContact O-N 2.87Å; D236-N238 PolarHBondContact O-N 3.08Å; D236-N238 VanDerWaalsContact O-N 3.08Å; D236-K239 HydrophobicContact CB-CB 4.43Å; D236-K239 IonicContact OD2-NZ 3.25Å | ||
| 237 | P | 62.6 | Low | 69.8 | Low | 83 Ų | 83 | 97 Ų | 97 | 54% | 0.539 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -21 | -174 | 27.7 | -35.1 | 0 | 0 | 0 | 111.8 | P235 T241 | P235-P237 WeakPolarHBondContact O-CD 3.1Å; P235-P237 VanDerWaalsContact O-N 3.16Å; P237-T241 WeakPolarHBondContact O-CB 3.44Å; P237-T241 PolarHBondContact O-OG1 2.9Å |
| 238 | N | 64.5 | Low | 68.6 | Low | 146 Ų | 146 | 92.3 Ų | 92.3 | 78% | 0.781 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -35.3 | -171.5 | -62.8 | -16.3 | 0 | 0 | 0 | 113.9 | D236 | D236-N238 PolarHBondContact O-N 3.08Å; D236-N238 VanDerWaalsContact O-N 3.08Å |
| 239 | K | 62.3 | Low | 67.7 | Low | 169 Ų | 169 | 93 Ų | 93 | 74% | 0.735 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -26.9 | -173 | -70.6 | -179.6 | -176.7 | 165.2 | 0 | 112.9 | D236 | D236-K239 HydrophobicContact CB-CB 4.43Å; D236-K239 IonicContact OD2-NZ 3.25Å |
| 240 | L | 58.8 | Low | 66.9 | Low | 72 Ų | 72 | 90 Ų | 90 | 38% | 0.377 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -121.3 | 5.1 | -169.5 | -64.1 | 175.7 | 0 | 0 | 0 | 113.7 | A242 L243 T244 | L240-A242 PolarHBondContact O-N 3.28Å; L240-L243 HydrophobicContact CD2-CD1 4.32Å; L240-L243 CarbonylContact O-C 3.59Å; L240-L243 WeakPolarHBondContact O-CA 3.34Å; L240-L243 PolarHBondContact O-N 3.25Å; L240-T244 VanDerWaalsContact C-OG1 3.23Å; L240-T244 HydrophobicContact CB-CG2 3.67Å; L240-T244 HydrophobicContact CD1-CG2 4.4Å; L240-T244 PolarHBondContact O-N 3.24Å; L240-T244 PolarHBondContact O-OG1 3.24Å |
| 241 | T | 64.7 | Low | 66.5 | Low | 78 Ų | 78 | 88.8 Ų | 88.8 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -48.2 | -41.2 | -173 | -23.5 | 0 | 0 | 0 | 0 | 113 | P237 L243 A245 | P237-T241 WeakPolarHBondContact O-CB 3.44Å; P237-T241 PolarHBondContact O-OG1 2.9Å; T241-L243 VanDerWaalsContact C-N 3.35Å; T241-L243 PolarHBondContact O-N 2.88Å; T241-A245 WeakPolarHBondContact O-CA 3.38Å; T241-A245 WeakPolarHBondContact O-CB 3.44Å; T241-A245 PolarHBondContact O-N 3.36Å |
| 242 | A | 64.3 | Low | 66.1 | Low | 98 Ų | 98 | 88.5 Ų | 88.5 | 81% | 0.81 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -35.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L240 | L240-A242 PolarHBondContact O-N 3.28Å |
| 243 | L | 60.1 | Low | 66.4 | Low | 97 Ų | 97 | 90.3 Ų | 90.3 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -86.4 | -31.7 | 178.5 | -63.4 | 178.2 | 0 | 0 | 0 | 112 | L240 T241 | L240-L243 HydrophobicContact CD2-CD1 4.32Å; L240-L243 CarbonylContact O-C 3.59Å; L240-L243 WeakPolarHBondContact O-CA 3.34Å; L240-L243 PolarHBondContact O-N 3.25Å; T241-L243 VanDerWaalsContact C-N 3.35Å; T241-L243 PolarHBondContact O-N 2.88Å |
| 244 | T | 64.2 | Low | 66.9 | Low | 28 Ų | 28 | 92.2 Ų | 92.2 | 17% | 0.172 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -102.4 | -7.4 | -172.8 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | L240 D246 T247 T248 | L240-T244 VanDerWaalsContact C-OG1 3.23Å; L240-T244 HydrophobicContact CB-CG2 3.67Å; L240-T244 HydrophobicContact CD1-CG2 4.4Å; L240-T244 PolarHBondContact O-N 3.24Å; L240-T244 PolarHBondContact O-OG1 3.24Å; T244-D246 PolarHBondContact O-N 3.06Å; T244-T247 WeakPolarHBondContact CA-OG1 3.47Å; T244-T247 CarbonylContact O-C 3.58Å; T244-T247 PolarHBondContact O-N 2.61Å; T244-T247 PolarHBondContact O-OG1 2.6Å; T244-T248 WeakPolarHBondContact O-CB 3.48Å; T244-T248 WeakPolarHBondContact O-CG2 3.39Å; T244-T248 PolarHBondContact O-N 3Å; T244-T248 PolarHBondContact O-OG1 3.45Å; T244-T248 VanDerWaalsContact O-OG1 3.1Å; T244-T248 VanDerWaalsContact OG1-CG2 3.32Å; T244-T248 WeakPolarHBondContact OG1-CG2 3.31Å |
| 245 | A | 66.5 | Low | 67.4 | Low | 51 Ų | 51 | 84.5 Ų | 84.5 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -36.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T241 | T241-A245 WeakPolarHBondContact O-CA 3.38Å; T241-A245 WeakPolarHBondContact O-CB 3.44Å; T241-A245 PolarHBondContact O-N 3.36Å |
| 246 | D | 64.5 | Low | 68.4 | Low | 67 Ų | 67 | 83.5 Ų | 83.5 | 36% | 0.358 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.9 | 179.3 | -81.9 | 12.8 | 0 | 0 | 0 | 114.2 | T244 H250 R258 R262 | T244-D246 PolarHBondContact O-N 3.06Å; D246-H250 PolarHBondContact O-CD2 3.25Å; D246-R258 WeakPolarHBondContact O-CD 3.29Å; D246-R262 IonicContact OD2-CZ 3.61Å; D246-R262 IonicContact OD2-NH2 2.61Å; D246-R262 PolarHBondContact OD2-NH2 3.36Å |
| 247 | T | 66.3 | Low | 69.5 | Low | 46 Ų | 46 | 82.6 Ų | 82.6 | 28% | 0.282 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -21.2 | -176.7 | 61 | 0 | 0 | 0 | 0 | 114.1 | T244 T249 H250 A255 | T244-T247 WeakPolarHBondContact CA-OG1 3.47Å; T244-T247 CarbonylContact O-C 3.58Å; T244-T247 PolarHBondContact O-N 2.61Å; T244-T247 PolarHBondContact O-OG1 2.6Å; T247-T249 VanDerWaalsContact C-N 3.3Å; T247-T249 PolarHBondContact O-N 2.83Å; T247-H250 PolarHBondContact O-N 3.34Å; T247-A255 HydrophobicContact CG2-CB 3.87Å |
| 248 | T | 65 | Low | 70.5 | Confident | 69 Ų | 69 | 82.7 Ų | 82.7 | 42% | 0.423 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31.9 | -176.7 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | T244 | T244-T248 WeakPolarHBondContact O-CB 3.48Å; T244-T248 WeakPolarHBondContact O-CG2 3.39Å; T244-T248 PolarHBondContact O-N 3Å; T244-T248 PolarHBondContact O-OG1 3.45Å; T244-T248 VanDerWaalsContact O-OG1 3.1Å; T244-T248 VanDerWaalsContact OG1-CG2 3.32Å; T244-T248 WeakPolarHBondContact OG1-CG2 3.31Å |
| 249 | T | 67.5 | Low | 71.4 | Confident | 109 Ų | 109 | 81.3 Ų | 81.3 | 67% | 0.669 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -2.3 | -175.3 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | T247 | T247-T249 VanDerWaalsContact C-N 3.3Å; T247-T249 PolarHBondContact O-N 2.83Å |
| 250 | H | 67.6 | Low | 72.6 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 24% | 0.241 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -117.9 | 149.6 | -168.2 | -64.7 | -65.3 | 0 | 0 | 0 | 111.5 | D246 T247 E254 R258 | D246-H250 PolarHBondContact O-CD2 3.25Å; T247-H250 PolarHBondContact O-N 3.34Å; H250-E254 HydrophobicContact CB-CB 4Å; H250-E254 HydrophobicContact CB-CG 3.94Å; H250-E254 IonicContact CE1-OE1 3.18Å; H250-E254 PolarHBondContact CE1-OE1 3.47Å; H250-E254 IonicContact CE1-OE2 3.51Å; H250-E254 VanDerWaalsContact CG-CD 3.44Å; H250-E254 IonicContact CG-OE1 3.61Å; H250-E254 IonicContact CG-OE2 2.91Å; H250-E254 IonicContact ND1-OE1 3.63Å; H250-E254 PolarHBondContact ND1-OE1 3.03Å; H250-E254 IonicContact ND1-OE2 3.75Å; H250-E254 PolarHBondContact ND1-OE2 2.93Å; H250-E254 IonicContact NE2-OE1 3.86Å; H250-R258 PolarHBondContact CE1-NH2 2.83Å; H250-R258 VanDerWaalsContact CE1-NH2 3.27Å; H250-R258 VanDerWaalsContact NE2-CZ 3.33Å; H250-R258 PolarHBondContact NE2-NH2 3.33Å; H250-R258 VanDerWaalsContact NE2-NH2 3.13Å |
| 251 | G | 74.8 | Confident | 73.7 | Confident | 50 Ų | 50 | 75.6 Ų | 75.6 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | trans | -60.4 | 153.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | L253 E254 A255 | G251-L253 PolarHBondContact O-N 2.9Å; G251-E254 PolarHBondContact O-N 3.44Å; G251-A255 PolarHBondContact O-N 3.05Å | ||
| 252 | L | 75.5 | Confident | 74.5 | Confident | 137 Ų | 137 | 77.3 Ų | 77.3 | 72% | 0.717 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -49 | -38.4 | -179.2 | -171 | 95.9 | 0 | 0 | 0 | 112.5 | A255 C256 | L252-A255 PolarHBondContact O-N 3.25Å; L252-C256 VanDerWaalsContact O-CB 3.23Å; L252-C256 WeakPolarHBondContact O-CB 3.21Å; L252-C256 PolarHBondContact O-N 3.08Å |
| 253 | L | 81 | Confident | 75.5 | Confident | 150 Ų | 150 | 76.2 Ų | 76.2 | 79% | 0.785 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.5 | -43.8 | 178.1 | -175.5 | 65.7 | 0 | 0 | 0 | 112.4 | G251 C256 S257 | G251-L253 PolarHBondContact O-N 2.9Å; L253-C256 PolarHBondContact O-N 2.68Å; L253-S257 WeakPolarHBondContact O-CB 3.32Å; L253-S257 PolarHBondContact O-N 3.44Å |
| 254 | E | 81.3 | Confident | 76.6 | Confident | 76 Ų | 76 | 73.6 Ų | 73.6 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70.5 | -41.9 | 178 | 179.5 | 179.1 | -179.8 | 0 | 0 | 110.4 | H250 G251 C256 S257 R258 | H250-E254 HydrophobicContact CB-CB 4Å; H250-E254 HydrophobicContact CB-CG 3.94Å; H250-E254 IonicContact CE1-OE1 3.18Å; H250-E254 PolarHBondContact CE1-OE1 3.47Å; H250-E254 IonicContact CE1-OE2 3.51Å; H250-E254 VanDerWaalsContact CG-CD 3.44Å; H250-E254 IonicContact CG-OE1 3.61Å; H250-E254 IonicContact CG-OE2 2.91Å; H250-E254 IonicContact ND1-OE1 3.63Å; H250-E254 PolarHBondContact ND1-OE1 3.03Å; H250-E254 IonicContact ND1-OE2 3.75Å; H250-E254 PolarHBondContact ND1-OE2 2.93Å; H250-E254 IonicContact NE2-OE1 3.86Å; G251-E254 PolarHBondContact O-N 3.44Å; E254-C256 VanDerWaalsContact C-N 3.32Å; E254-C256 PolarHBondContact O-N 3.48Å; E254-S257 WeakPolarHBondContact CA-OG 3.44Å; E254-S257 PolarHBondContact O-N 3.03Å; E254-S257 VanDerWaalsContact O-N 3.15Å; E254-S257 PolarHBondContact O-OG 2.98Å; E254-R258 WeakPolarHBondContact O-CG 3.42Å; E254-R258 PolarHBondContact O-N 3.15Å; E254-R258 IonicContact OE1-CZ 2.9Å; E254-R258 IonicContact OE1-NE 3.84Å; E254-R258 PolarHBondContact OE1-NE 3.25Å; E254-R258 IonicContact OE1-NH2 3.53Å; E254-R258 PolarHBondContact OE1-NH2 3Å |
| 255 | A | 79.9 | Confident | 77.2 | Confident | 18 Ų | 18 | 76.8 Ų | 76.8 | 15% | 0.149 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | T247 G251 L252 R258 L259 | T247-A255 HydrophobicContact CG2-CB 3.87Å; G251-A255 PolarHBondContact O-N 3.05Å; L252-A255 PolarHBondContact O-N 3.25Å; A255-R258 PolarHBondContact O-N 3.09Å; A255-L259 WeakPolarHBondContact O-CB 3.4Å; A255-L259 PolarHBondContact O-N 3.4Å |
| 256 | C | 83.4 | Confident | 77.6 | Confident | 78 Ų | 78 | 82.1 Ų | 82.1 | 53% | 0.527 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.1 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | L252 L253 E254 R258 L259 S260 | L252-C256 VanDerWaalsContact O-CB 3.23Å; L252-C256 WeakPolarHBondContact O-CB 3.21Å; L252-C256 PolarHBondContact O-N 3.08Å; L253-C256 PolarHBondContact O-N 2.68Å; E254-C256 VanDerWaalsContact C-N 3.32Å; E254-C256 PolarHBondContact O-N 3.48Å; C256-R258 VanDerWaalsContact C-N 3.33Å; C256-R258 PolarHBondContact O-N 2.71Å; C256-L259 PolarHBondContact O-N 2.68Å; C256-S260 WeakPolarHBondContact O-CB 3.46Å; C256-S260 PolarHBondContact O-N 3.49Å; C256-S260 PolarHBondContact O-OG 2.89Å |
| 257 | S | 85.6 | Confident | 78.4 | Confident | 60 Ų | 60 | 84.4 Ų | 84.4 | 42% | 0.42 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 176.9 | 78.1 | 0 | 0 | 0 | 0 | 113.2 | L253 E254 S260 A261 | L253-S257 WeakPolarHBondContact O-CB 3.32Å; L253-S257 PolarHBondContact O-N 3.44Å; E254-S257 WeakPolarHBondContact CA-OG 3.44Å; E254-S257 PolarHBondContact O-N 3.03Å; E254-S257 VanDerWaalsContact O-N 3.15Å; E254-S257 PolarHBondContact O-OG 2.98Å; S257-S260 WeakPolarHBondContact CA-OG 3.48Å; S257-S260 PolarHBondContact O-OG 3.11Å; S257-A261 WeakPolarHBondContact O-CB 3.48Å; S257-A261 PolarHBondContact O-N 2.94Å |
| 258 | R | 83.3 | Confident | 78.9 | Confident | 85 Ų | 85 | 89.5 Ų | 89.5 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.1 | -41.4 | 175.8 | -72.4 | 180 | 179.2 | -133.3 | 2.8 | 111.3 | D246 H250 E254 A255 C256 S260 A261 R262 | D246-R258 WeakPolarHBondContact O-CD 3.29Å; H250-R258 PolarHBondContact CE1-NH2 2.83Å; H250-R258 VanDerWaalsContact CE1-NH2 3.27Å; H250-R258 VanDerWaalsContact NE2-CZ 3.33Å; H250-R258 PolarHBondContact NE2-NH2 3.33Å; H250-R258 VanDerWaalsContact NE2-NH2 3.13Å; E254-R258 WeakPolarHBondContact O-CG 3.42Å; E254-R258 PolarHBondContact O-N 3.15Å; E254-R258 IonicContact OE1-CZ 2.9Å; E254-R258 IonicContact OE1-NE 3.84Å; E254-R258 PolarHBondContact OE1-NE 3.25Å; E254-R258 IonicContact OE1-NH2 3.53Å; E254-R258 PolarHBondContact OE1-NH2 3Å; A255-R258 PolarHBondContact O-N 3.09Å; C256-R258 VanDerWaalsContact C-N 3.33Å; C256-R258 PolarHBondContact O-N 2.71Å; R258-S260 VanDerWaalsContact C-N 3.33Å; R258-A261 PolarHBondContact O-N 3.34Å; R258-R262 WeakPolarHBondContact O-CG 3.15Å; R258-R262 PolarHBondContact O-N 3.38Å |
| 259 | L | 84 | Confident | 79.6 | Confident | 117 Ų | 117 | 88.9 Ų | 88.9 | 61% | 0.613 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 173.9 | -176.5 | 61 | 0 | 0 | 0 | 111 | A255 C256 A261 R262 S263 | A255-L259 WeakPolarHBondContact O-CB 3.4Å; A255-L259 PolarHBondContact O-N 3.4Å; C256-L259 PolarHBondContact O-N 2.68Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-R262 PolarHBondContact O-N 3.33Å; L259-S263 VanDerWaalsContact O-CB 3.31Å; L259-S263 WeakPolarHBondContact O-CB 3.07Å; L259-S263 PolarHBondContact O-N 3.42Å |
| 260 | S | 85.7 | Confident | 80.2 | Confident | 71 Ų | 71 | 88.9 Ų | 88.9 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 174.2 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | C256 S257 R258 S263 S264 | C256-S260 WeakPolarHBondContact O-CB 3.46Å; C256-S260 PolarHBondContact O-N 3.49Å; C256-S260 PolarHBondContact O-OG 2.89Å; S257-S260 WeakPolarHBondContact CA-OG 3.48Å; S257-S260 PolarHBondContact O-OG 3.11Å; R258-S260 VanDerWaalsContact C-N 3.33Å; S260-S263 PolarHBondContact O-N 3.44Å; S260-S264 WeakPolarHBondContact O-CB 3.37Å; S260-S264 PolarHBondContact O-N 3.4Å |
| 261 | A | 83.1 | Confident | 80.9 | Confident | 50 Ų | 50 | 90.4 Ų | 90.4 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S257 R258 L259 S264 L265 | S257-A261 WeakPolarHBondContact O-CB 3.48Å; S257-A261 PolarHBondContact O-N 2.94Å; R258-A261 PolarHBondContact O-N 3.34Å; L259-A261 VanDerWaalsContact C-N 3.35Å; A261-S264 WeakPolarHBondContact O-CB 3.34Å; A261-S264 PolarHBondContact O-N 2.79Å; A261-S264 PolarHBondContact O-OG 3.48Å; A261-L265 PolarHBondContact O-N 2.76Å |
| 262 | R | 81 | Confident | 81.5 | Confident | 114 Ų | 114 | 92.2 Ų | 92.2 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 174.1 | -74.1 | -176.9 | 174.8 | -160.6 | -1.8 | 112.4 | D246 R258 L259 S264 L265 F266 | D246-R262 IonicContact OD2-CZ 3.61Å; D246-R262 IonicContact OD2-NH2 2.61Å; D246-R262 PolarHBondContact OD2-NH2 3.36Å; R258-R262 WeakPolarHBondContact O-CG 3.15Å; R258-R262 PolarHBondContact O-N 3.38Å; L259-R262 PolarHBondContact O-N 3.33Å; R262-S264 PolarHBondContact O-N 2.79Å; R262-L265 WeakPolarHBondContact O-CB 3.33Å; R262-L265 PolarHBondContact O-N 3.45Å; R262-F266 VanDerWaalsContact O-CD2 3.29Å; R262-F266 WeakPolarHBondContact O-CD2 3.37Å; R262-F266 PolarHBondContact O-N 3.02Å |
| 263 | S | 84.8 | Confident | 82 | Confident | 75 Ų | 75 | 90.2 Ų | 90.2 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.9 | -37.7 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 111.3 | L259 S260 L265 F266 | L259-S263 VanDerWaalsContact O-CB 3.31Å; L259-S263 WeakPolarHBondContact O-CB 3.07Å; L259-S263 PolarHBondContact O-N 3.42Å; S260-S263 PolarHBondContact O-N 3.44Å; S263-L265 VanDerWaalsContact C-N 3.28Å; S263-L265 PolarHBondContact O-N 3.49Å; S263-F266 WeakPolarHBondContact O-CB 3.23Å; S263-F266 PolarHBondContact O-N 3.34Å |
| 264 | S | 82.8 | Confident | 82.3 | Confident | 43 Ų | 43 | 87.4 Ų | 87.4 | 30% | 0.301 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.3 | -27 | 174.6 | 80 | 0 | 0 | 0 | 0 | 113.7 | S260 A261 R262 F266 Q267 | S260-S264 WeakPolarHBondContact O-CB 3.37Å; S260-S264 PolarHBondContact O-N 3.4Å; A261-S264 WeakPolarHBondContact O-CB 3.34Å; A261-S264 PolarHBondContact O-N 2.79Å; A261-S264 PolarHBondContact O-OG 3.48Å; R262-S264 PolarHBondContact O-N 2.79Å; S264-F266 PolarHBondContact O-N 3.35Å; S264-Q267 VanDerWaalsContact O-CB 3.23Å; S264-Q267 WeakPolarHBondContact O-CB 3.44Å; S264-Q267 WeakPolarHBondContact O-CG 3.19Å; S264-Q267 PolarHBondContact O-N 2.85Å; S264-Q267 VanDerWaalsContact O-N 3.15Å |
| 265 | L | 78.2 | Confident | 82.6 | Confident | 94 Ų | 94 | 89.5 Ų | 89.5 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.8 | -22.2 | 172.7 | -62.5 | 173.8 | 0 | 0 | 0 | 112.6 | A261 R262 S263 Q267 Y270 | A261-L265 PolarHBondContact O-N 2.76Å; R262-L265 WeakPolarHBondContact O-CB 3.33Å; R262-L265 PolarHBondContact O-N 3.45Å; S263-L265 VanDerWaalsContact C-N 3.28Å; S263-L265 PolarHBondContact O-N 3.49Å; L265-Q267 PolarHBondContact O-N 3.05Å; L265-Y270 WeakPolarHBondContact O-CB 3.47Å |
| 266 | F | 75.3 | Confident | 83.1 | Confident | 163 Ų | 163 | 91.7 Ų | 91.7 | 72% | 0.715 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 2.3 | 172 | -66.5 | -68.8 | 0 | 0 | 0 | 113 | R262 S263 S264 Q268 | R262-F266 VanDerWaalsContact O-CD2 3.29Å; R262-F266 WeakPolarHBondContact O-CD2 3.37Å; R262-F266 PolarHBondContact O-N 3.02Å; S263-F266 WeakPolarHBondContact O-CB 3.23Å; S263-F266 PolarHBondContact O-N 3.34Å; S264-F266 PolarHBondContact O-N 3.35Å; F266-Q268 PolarHBondContact O-N 2.92Å |
| 267 | Q | 80.1 | Confident | 83.5 | Confident | 116 Ų | 116 | 96.2 Ų | 96.2 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -60.4 | 138.5 | 170 | -70 | 171.4 | 0.1 | 0 | 0 | 110 | S264 L265 G269 Y270 L271 | S264-Q267 VanDerWaalsContact O-CB 3.23Å; S264-Q267 WeakPolarHBondContact O-CB 3.44Å; S264-Q267 WeakPolarHBondContact O-CG 3.19Å; S264-Q267 PolarHBondContact O-N 2.85Å; S264-Q267 VanDerWaalsContact O-N 3.15Å; L265-Q267 PolarHBondContact O-N 3.05Å; Q267-G269 PolarHBondContact O-N 2.7Å; Q267-Y270 HydrophobicContact CB-CD2 4.23Å; Q267-Y270 PolarHBondContact O-N 2.83Å; Q267-L271 PolarHBondContact O-N 3.3Å |
| 268 | Q | 77.6 | Confident | 84 | Confident | 153 Ų | 153 | 98.4 Ų | 98.4 | 72% | 0.715 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -52.6 | -36.5 | -169 | -168.1 | 153.3 | -8.8 | 0 | 0 | 113.9 | F266 Y270 L271 D272 | F266-Q268 PolarHBondContact O-N 2.92Å; Q268-Y270 PolarHBondContact O-N 3.34Å; Q268-L271 PolarHBondContact O-N 3.46Å; Q268-D272 PolarHBondContact O-N 2.77Å |
| 269 | G | 80.3 | Confident | 84.5 | Confident | 55 Ų | 55 | 97 Ų | 97 | 57% | 0.567 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -33.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q267 M273 | Q267-G269 PolarHBondContact O-N 2.7Å; G269-M273 PolarHBondContact O-N 3.46Å |
| 270 | Y | 79.2 | Confident | 85 | Confident | 110 Ų | 110 | 94.2 Ų | 94.2 | 43% | 0.431 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77.2 | -34.5 | 174.2 | -69.5 | -71 | 0 | 0 | 0 | 111.4 | L265 Q267 Q268 M273 I274 | L265-Y270 WeakPolarHBondContact O-CB 3.47Å; Q267-Y270 HydrophobicContact CB-CD2 4.23Å; Q267-Y270 PolarHBondContact O-N 2.83Å; Q268-Y270 PolarHBondContact O-N 3.34Å; Y270-M273 HydrophobicContact CD1-CE 3.87Å; Y270-M273 HydrophobicContact CE1-CE 4.49Å; Y270-M273 PolarHBondContact O-N 3.27Å; Y270-I274 WeakPolarHBondContact O-CB 3.26Å; Y270-I274 WeakPolarHBondContact O-CD1 3.34Å; Y270-I274 WeakPolarHBondContact O-CG1 3.42Å; Y270-I274 PolarHBondContact O-N 3.18Å |
| 271 | L | 83.1 | Confident | 85.5 | Confident | 83 Ų | 83 | 96.3 Ų | 96.3 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 177.6 | -162.7 | 155.7 | 0 | 0 | 0 | 110.6 | Q267 Q268 M273 I274 E275 | Q267-L271 PolarHBondContact O-N 3.3Å; Q268-L271 PolarHBondContact O-N 3.46Å; L271-M273 VanDerWaalsContact C-N 3.29Å; L271-M273 PolarHBondContact O-N 3.31Å; L271-I274 CarbonylContact O-C 3.6Å; L271-I274 PolarHBondContact O-N 3.33Å; L271-I274 VanDerWaalsContact O-N 3.11Å; L271-E275 WeakPolarHBondContact O-CB 3.41Å; L271-E275 PolarHBondContact O-N 2.77Å |
| 272 | D | 86.6 | Confident | 86 | Confident | 88 Ų | 88 | 99.5 Ų | 99.5 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 176.1 | -66.2 | -13.8 | 0 | 0 | 0 | 111.5 | Q268 E275 A276 | Q268-D272 PolarHBondContact O-N 2.77Å; D272-E275 PolarHBondContact O-N 3.12Å; D272-A276 WeakPolarHBondContact O-CB 3.49Å; D272-A276 PolarHBondContact O-N 3.37Å |
| 273 | M | 86.3 | Confident | 86.7 | Confident | 95 Ų | 95 | 95.9 Ų | 95.9 | 47% | 0.468 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 175.9 | -175.4 | -177.9 | 60.3 | 0 | 0 | 112.1 | G269 Y270 L271 R277 | G269-M273 PolarHBondContact O-N 3.46Å; Y270-M273 HydrophobicContact CD1-CE 3.87Å; Y270-M273 HydrophobicContact CE1-CE 4.49Å; Y270-M273 PolarHBondContact O-N 3.27Å; L271-M273 VanDerWaalsContact C-N 3.29Å; L271-M273 PolarHBondContact O-N 3.31Å; M273-R277 WeakPolarHBondContact O-CB 3.37Å; M273-R277 VanDerWaalsContact O-CG 3.26Å; M273-R277 WeakPolarHBondContact O-CG 3.32Å; M273-R277 PolarHBondContact O-N 3.04Å |
| 274 | I | 87.2 | Confident | 87.2 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 176.5 | -71.8 | 164.1 | 0 | 0 | 0 | 109.9 | Y270 L271 R277 L278 | Y270-I274 WeakPolarHBondContact O-CB 3.26Å; Y270-I274 WeakPolarHBondContact O-CD1 3.34Å; Y270-I274 WeakPolarHBondContact O-CG1 3.42Å; Y270-I274 PolarHBondContact O-N 3.18Å; L271-I274 CarbonylContact O-C 3.6Å; L271-I274 PolarHBondContact O-N 3.33Å; L271-I274 VanDerWaalsContact O-N 3.11Å; I274-R277 CarbonylContact O-C 3.59Å; I274-R277 PolarHBondContact O-N 3.34Å; I274-L278 VanDerWaalsContact O-CB 3.26Å; I274-L278 WeakPolarHBondContact O-CB 3.38Å; I274-L278 PolarHBondContact O-N 3.04Å |
| 275 | E | 88.1 | Confident | 87.7 | Confident | 120 Ų | 120 | 102.2 Ų | 102.2 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.6 | -47.5 | 175.9 | -174 | 179 | 172.6 | 0 | 0 | 111 | L271 D272 R277 L278 A279 | L271-E275 WeakPolarHBondContact O-CB 3.41Å; L271-E275 PolarHBondContact O-N 2.77Å; D272-E275 PolarHBondContact O-N 3.12Å; E275-R277 VanDerWaalsContact C-N 3.29Å; E275-R277 PolarHBondContact O-N 2.99Å; E275-L278 PolarHBondContact O-N 3.48Å; E275-L278 VanDerWaalsContact O-N 3.12Å; E275-A279 WeakPolarHBondContact O-CB 3.27Å; E275-A279 PolarHBondContact O-N 2.89Å |
| 276 | A | 90.3 | Very high | 88.5 | Confident | 64 Ų | 64 | 103.7 Ų | 103.7 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D272 S280 | D272-A276 WeakPolarHBondContact O-CB 3.49Å; D272-A276 PolarHBondContact O-N 3.37Å; A276-S280 WeakPolarHBondContact O-CB 3.26Å; A276-S280 PolarHBondContact O-N 2.82Å |
| 277 | R | 91.9 | Very high | 89.4 | Confident | 172 Ų | 172 | 97.9 Ų | 97.9 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.8 | -40.6 | 174.8 | -76.3 | -178.2 | 70 | 177.8 | 1.1 | 111.9 | M273 I274 E275 S280 L281 | M273-R277 WeakPolarHBondContact O-CB 3.37Å; M273-R277 VanDerWaalsContact O-CG 3.26Å; M273-R277 WeakPolarHBondContact O-CG 3.32Å; M273-R277 PolarHBondContact O-N 3.04Å; I274-R277 CarbonylContact O-C 3.59Å; I274-R277 PolarHBondContact O-N 3.34Å; E275-R277 VanDerWaalsContact C-N 3.29Å; E275-R277 PolarHBondContact O-N 2.99Å; R277-S280 PolarHBondContact O-N 3.24Å; R277-S280 PolarHBondContact O-OG 3.12Å; R277-L281 WeakPolarHBondContact O-CB 3.36Å; R277-L281 PolarHBondContact O-N 2.75Å |
| 278 | L | 95.3 | Very high | 89.9 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.4 | -42.7 | 178.7 | -172 | 139.1 | 0 | 0 | 0 | 110.9 | I274 E275 S280 L281 Q282 | I274-L278 VanDerWaalsContact O-CB 3.26Å; I274-L278 WeakPolarHBondContact O-CB 3.38Å; I274-L278 PolarHBondContact O-N 3.04Å; E275-L278 PolarHBondContact O-N 3.48Å; E275-L278 VanDerWaalsContact O-N 3.12Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 3.39Å; L278-L281 PolarHBondContact O-N 3.44Å; L278-Q282 VanDerWaalsContact O-CB 3.32Å; L278-Q282 WeakPolarHBondContact O-CB 3.37Å; L278-Q282 PolarHBondContact O-N 3.26Å |
| 279 | A | 93.7 | Very high | 90.6 | Very high | 56 Ų | 56 | 92.4 Ų | 92.4 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E275 L281 Q282 G283 | E275-A279 WeakPolarHBondContact O-CB 3.27Å; E275-A279 PolarHBondContact O-N 2.89Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.43Å; A279-Q282 PolarHBondContact O-N 2.96Å; A279-G283 PolarHBondContact O-N 3.48Å |
| 280 | S | 94.4 | Very high | 91.2 | Very high | 59 Ų | 59 | 96 Ų | 96 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 175.1 | 83.3 | 0 | 0 | 0 | 0 | 112.6 | A276 R277 L278 K284 | A276-S280 WeakPolarHBondContact O-CB 3.26Å; A276-S280 PolarHBondContact O-N 2.82Å; R277-S280 PolarHBondContact O-N 3.24Å; R277-S280 PolarHBondContact O-OG 3.12Å; L278-S280 VanDerWaalsContact C-N 3.34Å; L278-S280 PolarHBondContact O-N 3.39Å; S280-K284 WeakPolarHBondContact O-CB 3.31Å; S280-K284 VanDerWaalsContact O-CG 3.27Å; S280-K284 WeakPolarHBondContact O-CG 3.36Å; S280-K284 PolarHBondContact O-N 2.93Å |
| 281 | L | 96 | Very high | 91.8 | Very high | 114 Ų | 114 | 97.9 Ų | 97.9 | 60% | 0.597 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -71.4 | -41.6 | 177.2 | 178.3 | 62.8 | 0 | 0 | 0 | 110.6 | R277 L278 A279 K284 L285 | R277-L281 WeakPolarHBondContact O-CB 3.36Å; R277-L281 PolarHBondContact O-N 2.75Å; L278-L281 PolarHBondContact O-N 3.44Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 PolarHBondContact O-N 3.43Å; L281-K284 CarbonylContact O-C 3.53Å; L281-K284 PolarHBondContact O-N 3.25Å; L281-L285 VanDerWaalsContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CB 3.26Å; L281-L285 PolarHBondContact O-N 3.31Å |
| 282 | Q | 94.4 | Very high | 92.1 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 175 | -178.7 | 177.7 | -15.7 | 0 | 0 | 110.7 | L278 A279 K284 L285 Q286 | L278-Q282 VanDerWaalsContact O-CB 3.32Å; L278-Q282 WeakPolarHBondContact O-CB 3.37Å; L278-Q282 PolarHBondContact O-N 3.26Å; A279-Q282 PolarHBondContact O-N 2.96Å; Q282-K284 PolarHBondContact O-N 2.84Å; Q282-L285 PolarHBondContact O-N 2.87Å; Q282-Q286 WeakPolarHBondContact O-CB 3.46Å; Q282-Q286 PolarHBondContact O-N 3.47Å |
| 283 | G | 95.2 | Very high | 92.2 | Very high | 38 Ų | 38 | 103.6 Ų | 103.6 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | A279 Q286 A287 | A279-G283 PolarHBondContact O-N 3.48Å; G283-Q286 PolarHBondContact O-N 3.37Å; G283-A287 WeakPolarHBondContact O-CB 3.5Å; G283-A287 PolarHBondContact O-N 2.94Å |
| 284 | K | 94.8 | Very high | 92.2 | Very high | 143 Ų | 143 | 102 Ų | 102 | 62% | 0.622 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 173.5 | -75.4 | 174.3 | -175.8 | 178.7 | 0 | 112.2 | S280 L281 Q282 A287 V288 | S280-K284 WeakPolarHBondContact O-CB 3.31Å; S280-K284 VanDerWaalsContact O-CG 3.27Å; S280-K284 WeakPolarHBondContact O-CG 3.36Å; S280-K284 PolarHBondContact O-N 2.93Å; L281-K284 CarbonylContact O-C 3.53Å; L281-K284 PolarHBondContact O-N 3.25Å; Q282-K284 PolarHBondContact O-N 2.84Å; K284-A287 PolarHBondContact O-N 2.81Å; K284-V288 WeakPolarHBondContact O-CB 3.4Å; K284-V288 VanDerWaalsContact O-CG2 3.26Å; K284-V288 WeakPolarHBondContact O-CG2 3.32Å; K284-V288 PolarHBondContact O-N 3.37Å |
| 285 | L | 94.6 | Very high | 92.1 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65 | -45 | 178 | -178.6 | 62.4 | 0 | 0 | 0 | 110.4 | L281 Q282 A287 V288 T289 | L281-L285 VanDerWaalsContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CB 3.26Å; L281-L285 PolarHBondContact O-N 3.31Å; Q282-L285 PolarHBondContact O-N 2.87Å; L285-A287 PolarHBondContact O-N 3.47Å; L285-V288 CarbonylContact O-C 3.59Å; L285-V288 WeakPolarHBondContact O-CB 3.29Å; L285-V288 PolarHBondContact O-N 3.13Å; L285-V288 VanDerWaalsContact O-N 3.12Å; L285-T289 HydrophobicContact CD1-CG2 4.46Å; L285-T289 WeakPolarHBondContact O-CG2 3.38Å; L285-T289 PolarHBondContact O-N 3.37Å; L285-T289 PolarHBondContact O-OG1 3.48Å |
| 286 | Q | 93.4 | Very high | 91.9 | Very high | 124 Ų | 124 | 98.8 Ų | 98.8 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 176.5 | -171.1 | 173.9 | -4.4 | 0 | 0 | 111.8 | Q282 G283 V288 T289 E290 | Q282-Q286 WeakPolarHBondContact O-CB 3.46Å; Q282-Q286 PolarHBondContact O-N 3.47Å; G283-Q286 PolarHBondContact O-N 3.37Å; Q286-V288 VanDerWaalsContact C-N 3.31Å; Q286-V288 PolarHBondContact O-N 3.32Å; Q286-T289 VanDerWaalsContact CA-OG1 3.29Å; Q286-T289 WeakPolarHBondContact CA-OG1 3.16Å; Q286-T289 PolarHBondContact O-N 3.48Å; Q286-T289 PolarHBondContact O-OG1 2.93Å; Q286-E290 VanDerWaalsContact O-CB 3.32Å; Q286-E290 WeakPolarHBondContact O-CB 3.49Å; Q286-E290 PolarHBondContact O-N 2.96Å |
| 287 | A | 94 | Very high | 91.7 | Very high | 42 Ų | 42 | 100.1 Ų | 100.1 | 35% | 0.347 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G283 K284 L285 K291 | G283-A287 WeakPolarHBondContact O-CB 3.5Å; G283-A287 PolarHBondContact O-N 2.94Å; K284-A287 PolarHBondContact O-N 2.81Å; L285-A287 PolarHBondContact O-N 3.47Å; A287-K291 WeakPolarHBondContact O-CB 3.35Å; A287-K291 VanDerWaalsContact O-CG 3.26Å; A287-K291 WeakPolarHBondContact O-CG 3.45Å; A287-K291 PolarHBondContact O-N 2.9Å |
| 288 | V | 91.8 | Very high | 91.6 | Very high | 94 Ų | 94 | 98.7 Ų | 98.7 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.6 | -41.1 | 174.2 | 168 | 0 | 0 | 0 | 0 | 110.9 | K284 L285 Q286 R292 | K284-V288 WeakPolarHBondContact O-CB 3.4Å; K284-V288 VanDerWaalsContact O-CG2 3.26Å; K284-V288 WeakPolarHBondContact O-CG2 3.32Å; K284-V288 PolarHBondContact O-N 3.37Å; L285-V288 CarbonylContact O-C 3.59Å; L285-V288 WeakPolarHBondContact O-CB 3.29Å; L285-V288 PolarHBondContact O-N 3.13Å; L285-V288 VanDerWaalsContact O-N 3.12Å; Q286-V288 VanDerWaalsContact C-N 3.31Å; Q286-V288 PolarHBondContact O-N 3.32Å; V288-R292 VanDerWaalsContact O-CB 3.27Å; V288-R292 WeakPolarHBondContact O-CB 3.4Å; V288-R292 PolarHBondContact O-N 3.35Å |
| 289 | T | 92.2 | Very high | 91.2 | Very high | 60 Ų | 60 | 97.5 Ų | 97.5 | 37% | 0.368 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.1 | -43.2 | 177.5 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | L285 Q286 R292 E293 | L285-T289 HydrophobicContact CD1-CG2 4.46Å; L285-T289 WeakPolarHBondContact O-CG2 3.38Å; L285-T289 PolarHBondContact O-N 3.37Å; L285-T289 PolarHBondContact O-OG1 3.48Å; Q286-T289 VanDerWaalsContact CA-OG1 3.29Å; Q286-T289 WeakPolarHBondContact CA-OG1 3.16Å; Q286-T289 PolarHBondContact O-N 3.48Å; Q286-T289 PolarHBondContact O-OG1 2.93Å; T289-R292 WeakPolarHBondContact O-CB 3.42Å; T289-R292 PolarHBondContact O-N 2.87Å; T289-R292 VanDerWaalsContact O-N 3.16Å; T289-E293 WeakPolarHBondContact O-CG 3.26Å; T289-E293 PolarHBondContact O-N 2.91Å |
| 290 | E | 92 | Very high | 90.9 | Very high | 131 Ų | 131 | 100.2 Ų | 100.2 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 176.6 | -174.2 | 179.6 | -172.6 | 0 | 0 | 111.4 | Q286 R292 E293 A294 | Q286-E290 VanDerWaalsContact O-CB 3.32Å; Q286-E290 WeakPolarHBondContact O-CB 3.49Å; Q286-E290 PolarHBondContact O-N 2.96Å; E290-R292 VanDerWaalsContact C-N 3.31Å; E290-R292 PolarHBondContact O-N 3.43Å; E290-E293 PolarHBondContact O-N 3.39Å; E290-A294 WeakPolarHBondContact O-CB 3.42Å; E290-A294 PolarHBondContact O-N 3.07Å |
| 291 | K | 92 | Very high | 90.6 | Very high | 149 Ų | 149 | 103.6 Ų | 103.6 | 65% | 0.648 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.8 | -38.3 | 173.2 | -77.2 | -179.5 | -179.5 | -178.6 | 0 | 112.4 | A287 A294 I295 | A287-K291 WeakPolarHBondContact O-CB 3.35Å; A287-K291 VanDerWaalsContact O-CG 3.26Å; A287-K291 WeakPolarHBondContact O-CG 3.45Å; A287-K291 PolarHBondContact O-N 2.9Å; K291-A294 PolarHBondContact O-N 2.91Å; K291-I295 WeakPolarHBondContact O-CB 3.27Å; K291-I295 WeakPolarHBondContact O-CD1 3.44Å; K291-I295 WeakPolarHBondContact O-CG1 3.29Å; K291-I295 PolarHBondContact O-N 3.31Å |
| 292 | R | 89.1 | Confident | 90.5 | Very high | 174 Ų | 174 | 101 Ų | 101 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.2 | -41.6 | 177.2 | 179.9 | -176.7 | 173.1 | -82.1 | -2.1 | 111.2 | V288 T289 E290 A296 | V288-R292 VanDerWaalsContact O-CB 3.27Å; V288-R292 WeakPolarHBondContact O-CB 3.4Å; V288-R292 PolarHBondContact O-N 3.35Å; T289-R292 WeakPolarHBondContact O-CB 3.42Å; T289-R292 PolarHBondContact O-N 2.87Å; T289-R292 VanDerWaalsContact O-N 3.16Å; E290-R292 VanDerWaalsContact C-N 3.31Å; E290-R292 PolarHBondContact O-N 3.43Å; R292-A296 VanDerWaalsContact O-CB 3.29Å; R292-A296 WeakPolarHBondContact O-CB 3.49Å; R292-A296 PolarHBondContact O-N 3.16Å |
| 293 | E | 89.3 | Confident | 90.4 | Very high | 117 Ų | 117 | 101.9 Ų | 101.9 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 175.1 | -73.1 | 173.9 | -179.6 | 0 | 0 | 110.9 | T289 E290 I295 A296 D297 | T289-E293 WeakPolarHBondContact O-CG 3.26Å; T289-E293 PolarHBondContact O-N 2.91Å; E290-E293 PolarHBondContact O-N 3.39Å; E293-I295 VanDerWaalsContact C-N 3.33Å; E293-I295 PolarHBondContact O-N 3.3Å; E293-A296 PolarHBondContact O-N 2.84Å; E293-A296 VanDerWaalsContact O-N 3.14Å; E293-D297 WeakPolarHBondContact O-CB 3.5Å; E293-D297 PolarHBondContact O-N 3.14Å |
| 294 | A | 86.9 | Confident | 90.3 | Very high | 60 Ų | 60 | 105 Ų | 105 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E290 K291 Y298 | E290-A294 WeakPolarHBondContact O-CB 3.42Å; E290-A294 PolarHBondContact O-N 3.07Å; K291-A294 PolarHBondContact O-N 2.91Å; A294-Y298 WeakPolarHBondContact O-CB 3.36Å; A294-Y298 PolarHBondContact O-N 2.89Å |
| 295 | I | 85.3 | Confident | 90.1 | Very high | 102 Ų | 102 | 100.6 Ų | 100.6 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 174.8 | -68.6 | 163.6 | 0 | 0 | 0 | 110.7 | K291 E293 D297 Y298 D299 | K291-I295 WeakPolarHBondContact O-CB 3.27Å; K291-I295 WeakPolarHBondContact O-CD1 3.44Å; K291-I295 WeakPolarHBondContact O-CG1 3.29Å; K291-I295 PolarHBondContact O-N 3.31Å; E293-I295 VanDerWaalsContact C-N 3.33Å; E293-I295 PolarHBondContact O-N 3.3Å; I295-D297 VanDerWaalsContact C-N 3.33Å; I295-D297 PolarHBondContact O-N 3.47Å; I295-Y298 PolarHBondContact O-N 3.34Å; I295-D299 WeakPolarHBondContact O-CB 3.48Å; I295-D299 PolarHBondContact O-N 3.02Å |
| 296 | A | 83.3 | Confident | 90 | Very high | 44 Ų | 44 | 102.2 Ų | 102.2 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R292 E293 D299 M300 | R292-A296 VanDerWaalsContact O-CB 3.29Å; R292-A296 WeakPolarHBondContact O-CB 3.49Å; R292-A296 PolarHBondContact O-N 3.16Å; E293-A296 PolarHBondContact O-N 2.84Å; E293-A296 VanDerWaalsContact O-N 3.14Å; A296-D299 PolarHBondContact O-N 3.49Å; A296-M300 VanDerWaalsContact O-CB 3.31Å; A296-M300 WeakPolarHBondContact O-CB 3.47Å; A296-M300 PolarHBondContact O-N 2.89Å |
| 297 | D | 87.2 | Confident | 90 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 175.2 | -75.1 | -13.2 | 0 | 0 | 0 | 111.4 | E293 I295 M300 Q301 | E293-D297 WeakPolarHBondContact O-CB 3.5Å; E293-D297 PolarHBondContact O-N 3.14Å; I295-D297 VanDerWaalsContact C-N 3.33Å; I295-D297 PolarHBondContact O-N 3.47Å; D297-M300 PolarHBondContact O-N 3.34Å; D297-Q301 WeakPolarHBondContact O-CB 3.31Å; D297-Q301 VanDerWaalsContact O-CG 3.27Å; D297-Q301 WeakPolarHBondContact O-CG 3.02Å; D297-Q301 PolarHBondContact O-N 2.83Å |
| 298 | Y | 88.2 | Confident | 89.9 | Confident | 143 Ų | 143 | 107 Ų | 107 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 174.9 | -177.5 | -103.6 | 0 | 0 | 0 | 112.2 | A294 I295 M300 Q301 N302 | A294-Y298 WeakPolarHBondContact O-CB 3.36Å; A294-Y298 PolarHBondContact O-N 2.89Å; I295-Y298 PolarHBondContact O-N 3.34Å; Y298-M300 VanDerWaalsContact C-N 3.34Å; Y298-M300 PolarHBondContact O-N 3.49Å; Y298-Q301 PolarHBondContact O-N 3.37Å; Y298-N302 WeakPolarHBondContact CE1-ND2 3.34Å; Y298-N302 VanDerWaalsContact CZ-ND2 3.33Å; Y298-N302 WeakPolarHBondContact O-CB 3.44Å; Y298-N302 PolarHBondContact O-N 2.87Å |
| 299 | D | 86.9 | Confident | 90 | Very high | 80 Ų | 80 | 106.7 Ų | 106.7 | 43% | 0.428 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 175.7 | -81.8 | -12.5 | 0 | 0 | 0 | 111.9 | I295 A296 K303 | I295-D299 WeakPolarHBondContact O-CB 3.48Å; I295-D299 PolarHBondContact O-N 3.02Å; A296-D299 PolarHBondContact O-N 3.49Å; D299-K303 WeakPolarHBondContact O-CB 3.37Å; D299-K303 WeakPolarHBondContact O-CG 3.24Å; D299-K303 PolarHBondContact O-N 2.89Å |
| 300 | M | 86.9 | Confident | 90 | Very high | 114 Ų | 114 | 108.1 Ų | 108.1 | 56% | 0.562 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.3 | -44.3 | 176 | -166.7 | -176.5 | -61.5 | 0 | 0 | 110.9 | A296 D297 Y298 K303 I304 | A296-M300 VanDerWaalsContact O-CB 3.31Å; A296-M300 WeakPolarHBondContact O-CB 3.47Å; A296-M300 PolarHBondContact O-N 2.89Å; D297-M300 PolarHBondContact O-N 3.34Å; Y298-M300 VanDerWaalsContact C-N 3.34Å; Y298-M300 PolarHBondContact O-N 3.49Å; M300-K303 PolarHBondContact O-N 3.34Å; M300-I304 HydrophobicContact CG-CD1 4.01Å; M300-I304 WeakPolarHBondContact O-CB 3.46Å; M300-I304 WeakPolarHBondContact O-CD1 3.47Å; M300-I304 WeakPolarHBondContact O-CG1 3.2Å; M300-I304 PolarHBondContact O-N 2.97Å |
| 301 | Q | 89.8 | Confident | 89.9 | Confident | 129 Ų | 129 | 106.4 Ų | 106.4 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 175.5 | -75.6 | -179.3 | 4.9 | 0 | 0 | 112.1 | D297 Y298 I304 A305 | D297-Q301 WeakPolarHBondContact O-CB 3.31Å; D297-Q301 VanDerWaalsContact O-CG 3.27Å; D297-Q301 WeakPolarHBondContact O-CG 3.02Å; D297-Q301 PolarHBondContact O-N 2.83Å; Y298-Q301 PolarHBondContact O-N 3.37Å; Q301-I304 PolarHBondContact O-N 3.41Å; Q301-A305 WeakPolarHBondContact O-CB 3.27Å; Q301-A305 PolarHBondContact O-N 2.84Å |
| 302 | N | 92.7 | Very high | 89.8 | Confident | 60 Ų | 60 | 104.3 Ų | 104.3 | 32% | 0.321 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 174.7 | -80.2 | -18.8 | 0 | 0 | 0 | 111.8 | Y298 I304 A305 E306 | Y298-N302 WeakPolarHBondContact CE1-ND2 3.34Å; Y298-N302 VanDerWaalsContact CZ-ND2 3.33Å; Y298-N302 WeakPolarHBondContact O-CB 3.44Å; Y298-N302 PolarHBondContact O-N 2.87Å; N302-I304 VanDerWaalsContact C-N 3.31Å; N302-I304 PolarHBondContact O-N 2.92Å; N302-A305 PolarHBondContact O-N 3.18Å; N302-E306 WeakPolarHBondContact O-CG 3.44Å; N302-E306 PolarHBondContact O-N 2.83Å |
| 303 | K | 91.8 | Very high | 89.7 | Confident | 136 Ų | 136 | 102.4 Ų | 102.4 | 59% | 0.591 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -41.1 | 174.9 | -75.6 | 174.1 | -177.3 | 174.7 | 0 | 111.8 | D299 M300 E306 L307 | D299-K303 WeakPolarHBondContact O-CB 3.37Å; D299-K303 WeakPolarHBondContact O-CG 3.24Å; D299-K303 PolarHBondContact O-N 2.89Å; M300-K303 PolarHBondContact O-N 3.34Å; K303-E306 PolarHBondContact O-N 3.41Å; K303-L307 WeakPolarHBondContact O-CB 3.43Å; K303-L307 VanDerWaalsContact O-CG 3.24Å; K303-L307 WeakPolarHBondContact O-CG 3.26Å; K303-L307 PolarHBondContact O-N 3.3Å |
| 304 | I | 93.5 | Very high | 89.7 | Confident | 103 Ų | 103 | 104.8 Ų | 104.8 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.7 | -69.9 | 164.3 | 0 | 0 | 0 | 110.4 | M300 Q301 N302 L307 Y308 | M300-I304 HydrophobicContact CG-CD1 4.01Å; M300-I304 WeakPolarHBondContact O-CB 3.46Å; M300-I304 WeakPolarHBondContact O-CD1 3.47Å; M300-I304 WeakPolarHBondContact O-CG1 3.2Å; M300-I304 PolarHBondContact O-N 2.97Å; Q301-I304 PolarHBondContact O-N 3.41Å; N302-I304 VanDerWaalsContact C-N 3.31Å; N302-I304 PolarHBondContact O-N 2.92Å; I304-L307 PolarHBondContact O-N 2.94Å; I304-Y308 VanDerWaalsContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CB 3.37Å; I304-Y308 PolarHBondContact O-N 3.45Å |
| 305 | A | 91.2 | Very high | 89.8 | Confident | 52 Ų | 52 | 106.1 Ų | 106.1 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q301 N302 Y308 E309 | Q301-A305 WeakPolarHBondContact O-CB 3.27Å; Q301-A305 PolarHBondContact O-N 2.84Å; N302-A305 PolarHBondContact O-N 3.18Å; A305-Y308 PolarHBondContact O-N 2.83Å; A305-E309 WeakPolarHBondContact O-CG 3.46Å; A305-E309 PolarHBondContact O-N 3.47Å |
| 306 | E | 93.4 | Very high | 89.8 | Confident | 142 Ų | 142 | 106.1 Ų | 106.1 | 66% | 0.664 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -45.1 | 174.7 | -75 | -178.9 | -170.8 | 0 | 0 | 111.9 | N302 K303 Y308 E309 L310 | N302-E306 WeakPolarHBondContact O-CG 3.44Å; N302-E306 PolarHBondContact O-N 2.83Å; K303-E306 PolarHBondContact O-N 3.41Å; E306-Y308 VanDerWaalsContact C-N 3.34Å; E306-E309 PolarHBondContact O-N 3.33Å; E306-L310 WeakPolarHBondContact O-CB 3.39Å; E306-L310 PolarHBondContact O-N 3.33Å |
| 307 | L | 92.9 | Very high | 89.9 | Confident | 111 Ų | 111 | 107.4 Ų | 107.4 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -40.4 | 175.8 | -73 | 175.4 | 0 | 0 | 0 | 111.5 | K303 I304 L310 V311 | K303-L307 WeakPolarHBondContact O-CB 3.43Å; K303-L307 VanDerWaalsContact O-CG 3.24Å; K303-L307 WeakPolarHBondContact O-CG 3.26Å; K303-L307 PolarHBondContact O-N 3.3Å; I304-L307 PolarHBondContact O-N 2.94Å; L307-L310 PolarHBondContact O-N 2.89Å; L307-V311 WeakPolarHBondContact O-CB 3.28Å; L307-V311 VanDerWaalsContact O-CG2 3.28Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.04Å |
| 308 | Y | 91.6 | Very high | 89.9 | Confident | 155 Ų | 155 | 105.6 Ų | 105.6 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 176.4 | -176.9 | -94.4 | 0 | 0 | 0 | 111.6 | I304 A305 E306 L310 V311 K312 | I304-Y308 VanDerWaalsContact O-CB 3.26Å; I304-Y308 WeakPolarHBondContact O-CB 3.37Å; I304-Y308 PolarHBondContact O-N 3.45Å; A305-Y308 PolarHBondContact O-N 2.83Å; E306-Y308 VanDerWaalsContact C-N 3.34Å; Y308-L310 VanDerWaalsContact C-N 3.34Å; Y308-L310 PolarHBondContact O-N 3.34Å; Y308-V311 PolarHBondContact O-N 3.48Å; Y308-K312 HydrophobicContact CE1-CD 4.46Å; Y308-K312 WeakPolarHBondContact O-CB 3.3Å; Y308-K312 PolarHBondContact O-N 3.36Å |
| 309 | E | 92.8 | Very high | 89.8 | Confident | 88 Ų | 88 | 104 Ų | 104 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.5 | -76.9 | -62.4 | 131.9 | 0 | 0 | 112.3 | A305 E306 K312 K313 | A305-E309 WeakPolarHBondContact O-CG 3.46Å; A305-E309 PolarHBondContact O-N 3.47Å; E306-E309 PolarHBondContact O-N 3.33Å; E309-K312 PolarHBondContact O-N 3.39Å; E309-K313 VanDerWaalsContact O-CG 3.3Å; E309-K313 WeakPolarHBondContact O-CG 3.32Å; E309-K313 PolarHBondContact O-N 2.9Å |
| 310 | L | 92.4 | Very high | 89.8 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 174.6 | -175.6 | 61.2 | 0 | 0 | 0 | 111 | E306 L307 Y308 K312 K313 W314 | E306-L310 WeakPolarHBondContact O-CB 3.39Å; E306-L310 PolarHBondContact O-N 3.33Å; L307-L310 PolarHBondContact O-N 2.89Å; Y308-L310 VanDerWaalsContact C-N 3.34Å; Y308-L310 PolarHBondContact O-N 3.34Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.22Å; L310-K313 PolarHBondContact O-N 3.04Å; L310-W314 PolarHBondContact O-N 2.83Å |
| 311 | V | 91.8 | Very high | 90 | Very high | 96 Ų | 96 | 101.5 Ų | 101.5 | 58% | 0.582 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.7 | -41.2 | 177.4 | 169.7 | 0 | 0 | 0 | 0 | 111 | L307 Y308 W314 N315 | L307-V311 WeakPolarHBondContact O-CB 3.28Å; L307-V311 VanDerWaalsContact O-CG2 3.28Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.04Å; Y308-V311 PolarHBondContact O-N 3.48Å; V311-W314 CarbonylContact O-C 3.59Å; V311-W314 PolarHBondContact O-N 3.14Å; V311-N315 PolarHBondContact O-N 3.42Å |
| 312 | K | 89.2 | Confident | 90 | Very high | 104 Ų | 104 | 99.3 Ų | 99.3 | 45% | 0.452 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 177.2 | -173.7 | 178.1 | 177.3 | -174.1 | 0 | 112.2 | Y308 E309 L310 W314 N315 D316 | Y308-K312 HydrophobicContact CE1-CD 4.46Å; Y308-K312 WeakPolarHBondContact O-CB 3.3Å; Y308-K312 PolarHBondContact O-N 3.36Å; E309-K312 PolarHBondContact O-N 3.39Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.22Å; K312-W314 VanDerWaalsContact C-N 3.28Å; K312-W314 PolarHBondContact O-N 3.31Å; K312-N315 WeakPolarHBondContact O-CB 3.42Å; K312-N315 PolarHBondContact O-N 2.86Å; K312-N315 VanDerWaalsContact O-N 3.14Å; K312-D316 PolarHBondContact O-N 3.34Å |
| 313 | K | 87.6 | Confident | 89.8 | Confident | 134 Ų | 134 | 102.2 Ų | 102.2 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.8 | -40 | 174.4 | -71.6 | 169.8 | -174.8 | 173.9 | 0 | 112 | E309 L310 V317 | E309-K313 VanDerWaalsContact O-CG 3.3Å; E309-K313 WeakPolarHBondContact O-CG 3.32Å; E309-K313 PolarHBondContact O-N 2.9Å; L310-K313 PolarHBondContact O-N 3.04Å; K313-V317 WeakPolarHBondContact O-CG2 3.44Å; K313-V317 PolarHBondContact O-N 3.18Å |
| 314 | W | 89.2 | Confident | 89.8 | Confident | 168 Ų | 168 | 99.4 Ų | 99.4 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.4 | -31.6 | 176.5 | -80.1 | 108.3 | 0 | 0 | 0 | 113.1 | L310 V311 K312 V317 A318 | L310-W314 PolarHBondContact O-N 2.83Å; V311-W314 CarbonylContact O-C 3.59Å; V311-W314 PolarHBondContact O-N 3.14Å; K312-W314 VanDerWaalsContact C-N 3.28Å; K312-W314 PolarHBondContact O-N 3.31Å; W314-V317 PolarHBondContact O-N 3.4Å; W314-A318 WeakPolarHBondContact O-CB 3.44Å; W314-A318 PolarHBondContact O-N 3.17Å |
| 315 | N | 88.6 | Confident | 89.7 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 47% | 0.465 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 175.4 | -165.9 | 81.5 | 0 | 0 | 0 | 111 | V311 K312 V317 A318 D319 | V311-N315 PolarHBondContact O-N 3.42Å; K312-N315 WeakPolarHBondContact O-CB 3.42Å; K312-N315 PolarHBondContact O-N 2.86Å; K312-N315 VanDerWaalsContact O-N 3.14Å; N315-V317 VanDerWaalsContact C-N 3.3Å; N315-V317 PolarHBondContact O-N 2.94Å; N315-A318 PolarHBondContact O-N 3.1Å; N315-A318 VanDerWaalsContact O-N 3.17Å; N315-D319 PolarHBondContact ND2-OD2 3.32Å; N315-D319 PolarHBondContact O-N 3.45Å |
| 316 | D | 84.7 | Confident | 89.7 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 176.5 | -64.6 | -20.3 | 0 | 0 | 0 | 111.9 | K312 S320 | K312-D316 PolarHBondContact O-N 3.34Å; D316-S320 PolarHBondContact O-N 3.36Å |
| 317 | V | 85.2 | Confident | 89.6 | Confident | 71 Ų | 71 | 104.3 Ų | 104.3 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.7 | -41.6 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | K313 W314 N315 D319 S320 L321 | K313-V317 WeakPolarHBondContact O-CG2 3.44Å; K313-V317 PolarHBondContact O-N 3.18Å; W314-V317 PolarHBondContact O-N 3.4Å; N315-V317 VanDerWaalsContact C-N 3.3Å; N315-V317 PolarHBondContact O-N 2.94Å; V317-D319 VanDerWaalsContact C-N 3.27Å; V317-D319 PolarHBondContact O-N 2.77Å; V317-S320 CarbonylContact O-C 3.54Å; V317-S320 PolarHBondContact O-N 3.44Å; V317-S320 VanDerWaalsContact O-N 3.1Å; V317-S320 PolarHBondContact O-OG 3.29Å; V317-L321 WeakPolarHBondContact O-CB 3.38Å; V317-L321 PolarHBondContact O-N 2.77Å |
| 318 | A | 86.8 | Confident | 89.5 | Confident | 53 Ų | 53 | 104.1 Ų | 104.1 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | W314 N315 L321 P322 | W314-A318 WeakPolarHBondContact O-CB 3.44Å; W314-A318 PolarHBondContact O-N 3.17Å; N315-A318 PolarHBondContact O-N 3.1Å; N315-A318 VanDerWaalsContact O-N 3.17Å; A318-L321 PolarHBondContact O-N 2.9Å; A318-P322 WeakPolarHBondContact O-CD 3.07Å |
| 319 | D | 86.9 | Confident | 89.5 | Confident | 111 Ų | 111 | 100 Ų | 100 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.3 | -36 | 174.3 | -70.8 | -23.1 | 0 | 0 | 0 | 112 | N315 V317 | N315-D319 PolarHBondContact ND2-OD2 3.32Å; N315-D319 PolarHBondContact O-N 3.45Å; V317-D319 VanDerWaalsContact C-N 3.27Å; V317-D319 PolarHBondContact O-N 2.77Å |
| 320 | S | 87.5 | Confident | 89.5 | Confident | 46 Ų | 46 | 99.6 Ų | 99.6 | 32% | 0.322 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -78.7 | -22.3 | 177.7 | 76.7 | 0 | 0 | 0 | 0 | 114.2 | D316 V317 M323 I324 | D316-S320 PolarHBondContact O-N 3.36Å; V317-S320 CarbonylContact O-C 3.54Å; V317-S320 PolarHBondContact O-N 3.44Å; V317-S320 VanDerWaalsContact O-N 3.1Å; V317-S320 PolarHBondContact O-OG 3.29Å; S320-M323 WeakPolarHBondContact O-CB 3.2Å; S320-M323 PolarHBondContact O-N 3.18Å; S320-I324 WeakPolarHBondContact O-CG1 3.5Å; S320-I324 PolarHBondContact O-N 3.24Å; S320-I324 VanDerWaalsContact O-N 3.09Å |
| 321 | L | 89.9 | Confident | 89.6 | Confident | 95 Ų | 95 | 98.6 Ų | 98.6 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | -171.6 | -177.3 | 66 | 0 | 0 | 0 | 113.1 | V317 A318 M323 I324 V325 | V317-L321 WeakPolarHBondContact O-CB 3.38Å; V317-L321 PolarHBondContact O-N 2.77Å; A318-L321 PolarHBondContact O-N 2.9Å; L321-M323 VanDerWaalsContact C-N 3.31Å; L321-M323 PolarHBondContact O-N 3.09Å; L321-I324 PolarHBondContact O-N 2.9Å; L321-V325 HydrophobicContact CD1-CG2 4.34Å; L321-V325 HydrophobicContact CG-CG2 4.42Å; L321-V325 VanDerWaalsContact O-CG2 3.3Å; L321-V325 WeakPolarHBondContact O-CG2 3.48Å; L321-V325 PolarHBondContact O-N 2.88Å |
| 322 | P | 90.5 | Very high | 89.5 | Confident | 83 Ų | 83 | 101.7 Ų | 101.7 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.5 | -42.2 | 174.5 | -26.5 | 33.7 | 0 | 0 | 0 | 113.2 | A318 I324 V325 E326 | A318-P322 WeakPolarHBondContact O-CD 3.07Å; P322-I324 PolarHBondContact O-N 3.26Å; P322-V325 PolarHBondContact O-N 2.87Å; P322-E326 WeakPolarHBondContact O-CB 3.4Å; P322-E326 PolarHBondContact O-N 3.39Å |
| 323 | M | 88 | Confident | 89.7 | Confident | 121 Ų | 121 | 99.9 Ų | 99.9 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | 178.2 | -168.7 | -163.4 | 81.9 | 0 | 0 | 111.3 | S320 L321 V325 E326 R327 | S320-M323 WeakPolarHBondContact O-CB 3.2Å; S320-M323 PolarHBondContact O-N 3.18Å; L321-M323 VanDerWaalsContact C-N 3.31Å; L321-M323 PolarHBondContact O-N 3.09Å; M323-V325 VanDerWaalsContact C-N 3.34Å; M323-E326 PolarHBondContact O-N 3.49Å; M323-R327 WeakPolarHBondContact O-CB 3.35Å; M323-R327 PolarHBondContact O-N 3.36Å |
| 324 | I | 91.6 | Very high | 90 | Very high | 76 Ų | 76 | 98.2 Ų | 98.2 | 39% | 0.39 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 176.1 | -65.2 | 166.1 | 0 | 0 | 0 | 110.5 | S320 L321 P322 R327 L328 | S320-I324 WeakPolarHBondContact O-CG1 3.5Å; S320-I324 PolarHBondContact O-N 3.24Å; S320-I324 VanDerWaalsContact O-N 3.09Å; L321-I324 PolarHBondContact O-N 2.9Å; P322-I324 PolarHBondContact O-N 3.26Å; I324-R327 PolarHBondContact O-N 2.84Å; I324-L328 HydrophobicContact CG2-CD1 4.11Å; I324-L328 WeakPolarHBondContact O-CB 3.3Å; I324-L328 WeakPolarHBondContact O-CG 3.43Å; I324-L328 PolarHBondContact O-N 3.27Å |
| 325 | V | 92.7 | Very high | 90.2 | Very high | 84 Ų | 84 | 95.9 Ų | 95.9 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | L321 P322 M323 L328 S329 | L321-V325 HydrophobicContact CD1-CG2 4.34Å; L321-V325 HydrophobicContact CG-CG2 4.42Å; L321-V325 VanDerWaalsContact O-CG2 3.3Å; L321-V325 WeakPolarHBondContact O-CG2 3.48Å; L321-V325 PolarHBondContact O-N 2.88Å; P322-V325 PolarHBondContact O-N 2.87Å; M323-V325 VanDerWaalsContact C-N 3.34Å; V325-L328 PolarHBondContact O-N 3.38Å; V325-S329 WeakPolarHBondContact O-CB 3.41Å; V325-S329 PolarHBondContact O-N 2.94Å |
| 326 | E | 90.5 | Very high | 90.4 | Very high | 133 Ų | 133 | 96.9 Ų | 96.9 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 175.1 | -173.4 | -180 | -177.4 | 0 | 0 | 111.5 | P322 M323 L328 S329 T330 | P322-E326 WeakPolarHBondContact O-CB 3.4Å; P322-E326 PolarHBondContact O-N 3.39Å; M323-E326 PolarHBondContact O-N 3.49Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.27Å; E326-S329 WeakPolarHBondContact O-CB 3.5Å; E326-S329 PolarHBondContact O-N 3.47Å; E326-T330 WeakPolarHBondContact O-CG2 3.13Å; E326-T330 PolarHBondContact O-N 3.29Å; E326-T330 PolarHBondContact O-OG1 3.47Å |
| 327 | R | 90.1 | Very high | 90.8 | Very high | 183 Ų | 183 | 98.4 Ų | 98.4 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -38.9 | 174.1 | -175.2 | 171.6 | 171.5 | 177.6 | -3.1 | 112.3 | M323 I324 T330 L331 | M323-R327 WeakPolarHBondContact O-CB 3.35Å; M323-R327 PolarHBondContact O-N 3.36Å; I324-R327 PolarHBondContact O-N 2.84Å; R327-T330 WeakPolarHBondContact CA-OG1 3.35Å; R327-T330 PolarHBondContact O-OG1 2.96Å; R327-L331 WeakPolarHBondContact O-CB 3.44Å; R327-L331 PolarHBondContact O-N 3.49Å |
| 328 | L | 92.4 | Very high | 91.2 | Very high | 107 Ų | 107 | 97.5 Ų | 97.5 | 56% | 0.56 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69 | -36.8 | 174.3 | -76.8 | 168.5 | 0 | 0 | 0 | 112 | I324 V325 E326 K332 | I324-L328 HydrophobicContact CG2-CD1 4.11Å; I324-L328 WeakPolarHBondContact O-CB 3.3Å; I324-L328 WeakPolarHBondContact O-CG 3.43Å; I324-L328 PolarHBondContact O-N 3.27Å; V325-L328 PolarHBondContact O-N 3.38Å; E326-L328 VanDerWaalsContact C-N 3.34Å; E326-L328 PolarHBondContact O-N 3.27Å; L328-K332 VanDerWaalsContact O-CB 3.23Å; L328-K332 WeakPolarHBondContact O-CB 3.23Å; L328-K332 PolarHBondContact O-N 3.32Å |
| 329 | S | 91.7 | Very high | 91.5 | Very high | 69 Ų | 69 | 98.1 Ų | 98.1 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -48.8 | 176 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | V325 E326 K332 S333 | V325-S329 WeakPolarHBondContact O-CB 3.41Å; V325-S329 PolarHBondContact O-N 2.94Å; E326-S329 WeakPolarHBondContact O-CB 3.5Å; E326-S329 PolarHBondContact O-N 3.47Å; S329-K332 WeakPolarHBondContact O-CB 3.44Å; S329-K332 PolarHBondContact O-N 3.04Å; S329-S333 PolarHBondContact O-N 2.82Å; S329-S333 PolarHBondContact O-OG 3.33Å |
| 330 | T | 91.2 | Very high | 91.9 | Very high | 80 Ų | 80 | 97.9 Ų | 97.9 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 175.8 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | E326 R327 K332 S333 L334 | E326-T330 WeakPolarHBondContact O-CG2 3.13Å; E326-T330 PolarHBondContact O-N 3.29Å; E326-T330 PolarHBondContact O-OG1 3.47Å; R327-T330 WeakPolarHBondContact CA-OG1 3.35Å; R327-T330 PolarHBondContact O-OG1 2.96Å; T330-K332 VanDerWaalsContact C-N 3.34Å; T330-K332 PolarHBondContact O-N 3.22Å; T330-S333 PolarHBondContact O-N 2.82Å; T330-L334 PolarHBondContact O-N 3.09Å |
| 331 | L | 94.5 | Very high | 92.2 | Very high | 68 Ų | 68 | 102.4 Ų | 102.4 | 36% | 0.356 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -36.2 | 176 | -174.3 | 63.1 | 0 | 0 | 0 | 112.2 | R327 L334 H335 | R327-L331 WeakPolarHBondContact O-CB 3.44Å; R327-L331 PolarHBondContact O-N 3.49Å; L331-L334 HydrophobicContact CD1-CD2 4.25Å; L331-L334 PolarHBondContact O-N 2.93Å; L331-H335 WeakPolarHBondContact O-CB 3.45Å; L331-H335 PolarHBondContact O-CD2 3.18Å; L331-H335 PolarHBondContact O-N 2.88Å |
| 332 | K | 91.6 | Very high | 92.5 | Very high | 161 Ų | 161 | 100 Ų | 100 | 70% | 0.7 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 172.5 | 178.5 | -172.1 | 174.8 | -174.2 | 0 | 110.6 | L328 S329 T330 L334 H335 E336 | L328-K332 VanDerWaalsContact O-CB 3.23Å; L328-K332 WeakPolarHBondContact O-CB 3.23Å; L328-K332 PolarHBondContact O-N 3.32Å; S329-K332 WeakPolarHBondContact O-CB 3.44Å; S329-K332 PolarHBondContact O-N 3.04Å; T330-K332 VanDerWaalsContact C-N 3.34Å; T330-K332 PolarHBondContact O-N 3.22Å; K332-L334 VanDerWaalsContact C-N 3.33Å; K332-L334 PolarHBondContact O-N 2.96Å; K332-H335 PolarHBondContact O-N 3.46Å; K332-E336 PolarHBondContact O-N 2.94Å |
| 333 | S | 91.8 | Very high | 92.7 | Very high | 66 Ų | 66 | 101.6 Ų | 101.6 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.6 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | S329 T330 H335 E336 E337 | S329-S333 PolarHBondContact O-N 2.82Å; S329-S333 PolarHBondContact O-OG 3.33Å; T330-S333 PolarHBondContact O-N 2.82Å; S333-H335 PolarHBondContact O-N 3.49Å; S333-E336 WeakPolarHBondContact O-CB 3.49Å; S333-E336 PolarHBondContact O-N 3.5Å; S333-E337 PolarHBondContact O-N 3.41Å |
| 334 | L | 94 | Very high | 93.1 | Very high | 98 Ų | 98 | 98.8 Ų | 98.8 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 175.9 | -176.9 | 66.1 | 0 | 0 | 0 | 112.5 | T330 L331 K332 E336 E337 A338 | T330-L334 PolarHBondContact O-N 3.09Å; L331-L334 HydrophobicContact CD1-CD2 4.25Å; L331-L334 PolarHBondContact O-N 2.93Å; K332-L334 VanDerWaalsContact C-N 3.33Å; K332-L334 PolarHBondContact O-N 2.96Å; L334-E336 VanDerWaalsContact C-N 3.33Å; L334-E337 PolarHBondContact O-N 2.91Å; L334-A338 VanDerWaalsContact O-CB 3.31Å; L334-A338 WeakPolarHBondContact O-CB 3.42Å; L334-A338 PolarHBondContact O-N 2.84Å |
| 335 | H | 93.5 | Very high | 93.3 | Very high | 119 Ų | 119 | 99.5 Ų | 99.5 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66 | -36.7 | 175.9 | -81.5 | -41.6 | 0 | 0 | 0 | 112.2 | L331 K332 S333 S339 | L331-H335 WeakPolarHBondContact O-CB 3.45Å; L331-H335 PolarHBondContact O-CD2 3.18Å; L331-H335 PolarHBondContact O-N 2.88Å; K332-H335 PolarHBondContact O-N 3.46Å; S333-H335 PolarHBondContact O-N 3.49Å; H335-S339 VanDerWaalsContact O-CB 3.3Å; H335-S339 WeakPolarHBondContact O-CB 3.4Å; H335-S339 PolarHBondContact O-N 2.93Å |
| 336 | E | 94.2 | Very high | 93.5 | Very high | 108 Ų | 108 | 103.5 Ų | 103.5 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -48.3 | 172.5 | -173.4 | 59.8 | -147.1 | 0 | 0 | 110.6 | K332 S333 L334 A338 S339 Q340 | K332-E336 PolarHBondContact O-N 2.94Å; S333-E336 WeakPolarHBondContact O-CB 3.49Å; S333-E336 PolarHBondContact O-N 3.5Å; L334-E336 VanDerWaalsContact C-N 3.33Å; E336-A338 PolarHBondContact O-N 3.28Å; E336-S339 WeakPolarHBondContact O-CB 3.3Å; E336-S339 PolarHBondContact O-N 3.27Å; E336-Q340 VanDerWaalsContact O-CG 3.29Å; E336-Q340 WeakPolarHBondContact O-CG 3.4Å; E336-Q340 PolarHBondContact O-N 3.47Å; E336-Q340 PolarHBondContact OE1-NE2 2.92Å; E336-Q340 VanDerWaalsContact OE1-NE2 3.09Å |
| 337 | E | 93 | Very high | 93.7 | Very high | 135 Ų | 135 | 101.5 Ų | 101.5 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.2 | -42.5 | 176.2 | -73.8 | -179.6 | -173.3 | 0 | 0 | 112.5 | S333 L334 S339 Q340 F341 | S333-E337 PolarHBondContact O-N 3.41Å; L334-E337 PolarHBondContact O-N 2.91Å; E337-S339 VanDerWaalsContact C-N 3.34Å; E337-S339 PolarHBondContact O-N 2.98Å; E337-Q340 PolarHBondContact O-N 2.92Å; E337-F341 WeakPolarHBondContact O-CB 3.31Å; E337-F341 PolarHBondContact O-N 3.35Å |
| 338 | A | 93.8 | Very high | 94 | Very high | 51 Ų | 51 | 97.1 Ų | 97.1 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -36.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L334 E336 F341 S342 | L334-A338 VanDerWaalsContact O-CB 3.31Å; L334-A338 WeakPolarHBondContact O-CB 3.42Å; L334-A338 PolarHBondContact O-N 2.84Å; E336-A338 PolarHBondContact O-N 3.28Å; A338-F341 PolarHBondContact O-N 3.49Å; A338-S342 WeakPolarHBondContact O-CB 3.29Å; A338-S342 PolarHBondContact O-N 3.37Å |
| 339 | S | 92.3 | Very high | 94.3 | Very high | 67 Ų | 67 | 98.1 Ų | 98.1 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -47.7 | 173.9 | -172.1 | 0 | 0 | 0 | 0 | 111 | H335 E336 E337 F341 S342 Q343 | H335-S339 VanDerWaalsContact O-CB 3.3Å; H335-S339 WeakPolarHBondContact O-CB 3.4Å; H335-S339 PolarHBondContact O-N 2.93Å; E336-S339 WeakPolarHBondContact O-CB 3.3Å; E336-S339 PolarHBondContact O-N 3.27Å; E337-S339 VanDerWaalsContact C-N 3.34Å; E337-S339 PolarHBondContact O-N 2.98Å; S339-F341 PolarHBondContact O-N 3.27Å; S339-S342 PolarHBondContact O-N 3.45Å; S339-Q343 PolarHBondContact O-N 3.36Å |
| 340 | Q | 94.3 | Very high | 94.5 | Very high | 105 Ų | 105 | 98 Ų | 98 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 176.2 | -65.9 | -67 | -11.3 | 0 | 0 | 111.9 | E336 E337 Q343 S344 | E336-Q340 VanDerWaalsContact O-CG 3.29Å; E336-Q340 WeakPolarHBondContact O-CG 3.4Å; E336-Q340 PolarHBondContact O-N 3.47Å; E336-Q340 PolarHBondContact OE1-NE2 2.92Å; E336-Q340 VanDerWaalsContact OE1-NE2 3.09Å; E337-Q340 PolarHBondContact O-N 2.92Å; Q340-Q343 PolarHBondContact O-N 2.79Å; Q340-S344 WeakPolarHBondContact O-CB 3.4Å; Q340-S344 PolarHBondContact O-N 3.46Å |
| 341 | F | 95.4 | Very high | 94.7 | Very high | 142 Ų | 142 | 97.1 Ų | 97.1 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 175.7 | 178.8 | -100 | 0 | 0 | 0 | 111.8 | E337 A338 S339 Q343 S344 L345 | E337-F341 WeakPolarHBondContact O-CB 3.31Å; E337-F341 PolarHBondContact O-N 3.35Å; A338-F341 PolarHBondContact O-N 3.49Å; S339-F341 PolarHBondContact O-N 3.27Å; F341-Q343 VanDerWaalsContact C-N 3.28Å; F341-Q343 PolarHBondContact O-N 2.95Å; F341-S344 PolarHBondContact O-N 3.03Å; F341-L345 WeakPolarHBondContact O-CB 3.38Å; F341-L345 PolarHBondContact O-N 3.44Å |
| 342 | S | 95.6 | Very high | 94.8 | Very high | 45 Ų | 45 | 100 Ų | 100 | 32% | 0.315 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 175.7 | -172 | 0 | 0 | 0 | 0 | 111.8 | A338 S339 L345 R346 | A338-S342 WeakPolarHBondContact O-CB 3.29Å; A338-S342 PolarHBondContact O-N 3.37Å; S339-S342 PolarHBondContact O-N 3.45Å; S342-L345 PolarHBondContact O-N 3.22Å; S342-R346 WeakPolarHBondContact O-CG 3.36Å; S342-R346 PolarHBondContact O-N 2.98Å |
| 343 | Q | 94.1 | Very high | 95.1 | Very high | 116 Ų | 116 | 99.6 Ų | 99.6 | 54% | 0.542 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.9 | -39.3 | 176.7 | -171.2 | 158.3 | -3.1 | 0 | 0 | 112.8 | S339 Q340 F341 R346 T347 | S339-Q343 PolarHBondContact O-N 3.36Å; Q340-Q343 PolarHBondContact O-N 2.79Å; F341-Q343 VanDerWaalsContact C-N 3.28Å; F341-Q343 PolarHBondContact O-N 2.95Å; Q343-R346 PolarHBondContact O-N 3.43Å; Q343-T347 PolarHBondContact O-N 2.87Å; Q343-T347 VanDerWaalsContact O-N 3.09Å; Q343-T347 PolarHBondContact O-OG1 3.09Å |
| 344 | S | 95.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 101.4 Ų | 101.4 | 43% | 0.434 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 172.2 | -173 | 0 | 0 | 0 | 0 | 111.4 | Q340 F341 R346 T347 I348 | Q340-S344 WeakPolarHBondContact O-CB 3.4Å; Q340-S344 PolarHBondContact O-N 3.46Å; F341-S344 PolarHBondContact O-N 3.03Å; S344-R346 PolarHBondContact O-N 3.49Å; S344-T347 WeakPolarHBondContact O-CA 3.48Å; S344-T347 WeakPolarHBondContact O-CB 3.47Å; S344-T347 PolarHBondContact O-N 3.07Å; S344-I348 WeakPolarHBondContact O-CG1 3.38Å; S344-I348 PolarHBondContact O-N 3.27Å |
| 345 | L | 96.8 | Very high | 95.4 | Very high | 91 Ų | 91 | 101.4 Ų | 101.4 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 177.1 | -174.7 | 65.8 | 0 | 0 | 0 | 111.8 | F341 S342 T347 I348 E349 | F341-L345 WeakPolarHBondContact O-CB 3.38Å; F341-L345 PolarHBondContact O-N 3.44Å; S342-L345 PolarHBondContact O-N 3.22Å; L345-T347 VanDerWaalsContact C-N 3.25Å; L345-T347 PolarHBondContact O-N 3.25Å; L345-I348 PolarHBondContact O-N 3.37Å; L345-E349 WeakPolarHBondContact O-CB 3.32Å; L345-E349 PolarHBondContact O-N 2.81Å |
| 346 | R | 95.8 | Very high | 95.6 | Very high | 167 Ų | 167 | 101.5 Ų | 101.5 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -35.5 | 174 | -73.6 | 179.9 | -170.8 | 145.4 | 4.2 | 112.5 | S342 Q343 S344 S350 | S342-R346 WeakPolarHBondContact O-CG 3.36Å; S342-R346 PolarHBondContact O-N 2.98Å; Q343-R346 PolarHBondContact O-N 3.43Å; S344-R346 PolarHBondContact O-N 3.49Å; R346-S350 WeakPolarHBondContact O-CB 3.44Å; R346-S350 PolarHBondContact O-N 2.85Å |
| 347 | T | 96 | Very high | 95.7 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 56% | 0.564 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.2 | -41.5 | 177.2 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | Q343 S344 L345 S350 S351 | Q343-T347 PolarHBondContact O-N 2.87Å; Q343-T347 VanDerWaalsContact O-N 3.09Å; Q343-T347 PolarHBondContact O-OG1 3.09Å; S344-T347 WeakPolarHBondContact O-CA 3.48Å; S344-T347 WeakPolarHBondContact O-CB 3.47Å; S344-T347 PolarHBondContact O-N 3.07Å; L345-T347 VanDerWaalsContact C-N 3.25Å; L345-T347 PolarHBondContact O-N 3.25Å; T347-S350 PolarHBondContact O-N 2.84Å; T347-S351 PolarHBondContact O-N 3.44Å |
| 348 | I | 97 | Very high | 95.8 | Very high | 90 Ų | 90 | 94.4 Ų | 94.4 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 175 | -67 | 171.2 | 0 | 0 | 0 | 111.3 | S344 L345 S350 S351 Q352 | S344-I348 WeakPolarHBondContact O-CG1 3.38Å; S344-I348 PolarHBondContact O-N 3.27Å; L345-I348 PolarHBondContact O-N 3.37Å; I348-S350 VanDerWaalsContact C-N 3.31Å; I348-S350 PolarHBondContact O-N 2.91Å; I348-S351 WeakPolarHBondContact CA-OG 3.48Å; I348-S351 PolarHBondContact O-N 2.89Å; I348-S351 PolarHBondContact O-OG 3.27Å; I348-Q352 VanDerWaalsContact O-CB 3.29Å; I348-Q352 WeakPolarHBondContact O-CB 3.36Å; I348-Q352 PolarHBondContact O-N 3.26Å |
| 349 | E | 97.1 | Very high | 95.9 | Very high | 128 Ų | 128 | 97.1 Ų | 97.1 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.3 | -42.4 | 176.3 | -172.6 | -173.7 | 177.4 | 0 | 0 | 111 | L345 Q352 K353 | L345-E349 WeakPolarHBondContact O-CB 3.32Å; L345-E349 PolarHBondContact O-N 2.81Å; E349-Q352 PolarHBondContact O-N 2.91Å; E349-K353 WeakPolarHBondContact O-CB 3.49Å; E349-K353 PolarHBondContact O-N 2.91Å |
| 350 | S | 96.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 96.8 Ų | 96.8 | 47% | 0.469 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 112 | R346 T347 I348 K353 N354 | R346-S350 WeakPolarHBondContact O-CB 3.44Å; R346-S350 PolarHBondContact O-N 2.85Å; T347-S350 PolarHBondContact O-N 2.84Å; I348-S350 VanDerWaalsContact C-N 3.31Å; I348-S350 PolarHBondContact O-N 2.91Å; S350-K353 PolarHBondContact O-N 3.23Å; S350-N354 VanDerWaalsContact O-CG 3.27Å; S350-N354 PolarHBondContact O-N 3Å; S350-N354 PolarHBondContact O-ND2 2.87Å |
| 351 | S | 96.1 | Very high | 96.2 | Very high | 61 Ų | 61 | 94.8 Ų | 94.8 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 177.3 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | T347 I348 N354 V355 | T347-S351 PolarHBondContact O-N 3.44Å; I348-S351 WeakPolarHBondContact CA-OG 3.48Å; I348-S351 PolarHBondContact O-N 2.89Å; I348-S351 PolarHBondContact O-OG 3.27Å; S351-N354 WeakPolarHBondContact O-CB 3.41Å; S351-N354 PolarHBondContact O-N 3.49Å; S351-V355 WeakPolarHBondContact O-CG2 3.39Å; S351-V355 PolarHBondContact O-N 3.4Å |
| 352 | Q | 96.7 | Very high | 96.2 | Very high | 128 Ų | 128 | 94.8 Ų | 94.8 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 175.4 | -178.8 | 170 | -20 | 0 | 0 | 111.3 | I348 E349 N354 V355 E356 | I348-Q352 VanDerWaalsContact O-CB 3.29Å; I348-Q352 WeakPolarHBondContact O-CB 3.36Å; I348-Q352 PolarHBondContact O-N 3.26Å; E349-Q352 PolarHBondContact O-N 2.91Å; Q352-N354 VanDerWaalsContact C-N 3.3Å; Q352-N354 PolarHBondContact O-N 3.02Å; Q352-V355 PolarHBondContact O-N 2.91Å; Q352-V355 VanDerWaalsContact O-N 3.17Å; Q352-E356 WeakPolarHBondContact O-CB 3.29Å; Q352-E356 PolarHBondContact O-N 2.79Å |
| 353 | K | 96.6 | Very high | 96.3 | Very high | 154 Ų | 154 | 96.5 Ų | 96.5 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -37.2 | 175.5 | -171.1 | 174.5 | -176.3 | 173.8 | 0 | 112.2 | E349 S350 G357 | E349-K353 WeakPolarHBondContact O-CB 3.49Å; E349-K353 PolarHBondContact O-N 2.91Å; S350-K353 PolarHBondContact O-N 3.23Å; K353-G357 PolarHBondContact O-N 2.98Å |
| 354 | N | 96.6 | Very high | 96.3 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 173.9 | -72.6 | -25.9 | 0 | 0 | 0 | 112.2 | S350 S351 Q352 G357 S358 | S350-N354 VanDerWaalsContact O-CG 3.27Å; S350-N354 PolarHBondContact O-N 3Å; S350-N354 PolarHBondContact O-ND2 2.87Å; S351-N354 WeakPolarHBondContact O-CB 3.41Å; S351-N354 PolarHBondContact O-N 3.49Å; Q352-N354 VanDerWaalsContact C-N 3.3Å; Q352-N354 PolarHBondContact O-N 3.02Å; N354-G357 PolarHBondContact O-N 3.17Å; N354-S358 WeakPolarHBondContact O-CB 3.5Å; N354-S358 PolarHBondContact O-N 3.4Å; N354-S358 PolarHBondContact O-OG 3.13Å |
| 355 | V | 96.6 | Very high | 96.3 | Very high | 97 Ų | 97 | 100 Ų | 100 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.9 | -42.7 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | S351 Q352 S358 L359 | S351-V355 WeakPolarHBondContact O-CG2 3.39Å; S351-V355 PolarHBondContact O-N 3.4Å; Q352-V355 PolarHBondContact O-N 2.91Å; Q352-V355 VanDerWaalsContact O-N 3.17Å; V355-S358 CarbonylContact O-C 3.56Å; V355-S358 WeakPolarHBondContact O-CB 3.14Å; V355-S358 PolarHBondContact O-N 2.64Å; V355-L359 WeakPolarHBondContact O-CB 3.43Å; V355-L359 PolarHBondContact O-N 2.98Å |
| 356 | E | 97.2 | Very high | 96.2 | Very high | 121 Ų | 121 | 101.1 Ų | 101.1 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.6 | -41.7 | 176 | -175.4 | 178.4 | -175.9 | 0 | 0 | 111.8 | Q352 S358 L359 S360 | Q352-E356 WeakPolarHBondContact O-CB 3.29Å; Q352-E356 PolarHBondContact O-N 2.79Å; E356-S358 VanDerWaalsContact C-N 3.35Å; E356-L359 PolarHBondContact O-N 3.36Å; E356-S360 WeakPolarHBondContact O-CB 3.47Å; E356-S360 PolarHBondContact O-N 2.82Å; E356-S360 PolarHBondContact O-OG 2.86Å |
| 357 | G | 96.2 | Very high | 96.2 | Very high | 42 Ų | 42 | 98.5 Ų | 98.5 | 43% | 0.433 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K353 N354 S360 S361 | K353-G357 PolarHBondContact O-N 2.98Å; N354-G357 PolarHBondContact O-N 3.17Å; G357-S360 PolarHBondContact O-N 2.77Å; G357-S361 PolarHBondContact O-N 2.9Å |
| 358 | S | 95.7 | Very high | 96.2 | Very high | 53 Ų | 53 | 99.8 Ų | 99.8 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 174.9 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | N354 V355 E356 S360 S361 Y362 | N354-S358 WeakPolarHBondContact O-CB 3.5Å; N354-S358 PolarHBondContact O-N 3.4Å; N354-S358 PolarHBondContact O-OG 3.13Å; V355-S358 CarbonylContact O-C 3.56Å; V355-S358 WeakPolarHBondContact O-CB 3.14Å; V355-S358 PolarHBondContact O-N 2.64Å; E356-S358 VanDerWaalsContact C-N 3.35Å; S358-S360 PolarHBondContact O-N 2.8Å; S358-S361 WeakPolarHBondContact CA-OG 3.4Å; S358-S361 PolarHBondContact O-N 3.23Å; S358-S361 VanDerWaalsContact O-N 3.13Å; S358-S361 PolarHBondContact O-OG 3.44Å; S358-Y362 WeakPolarHBondContact O-CD2 3.42Å; S358-Y362 PolarHBondContact O-N 3.35Å |
| 359 | L | 95.9 | Very high | 96.1 | Very high | 107 Ų | 107 | 99.3 Ų | 99.3 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 177.2 | -175 | 63.9 | 0 | 0 | 0 | 111 | V355 E356 S361 Y362 T363 | V355-L359 WeakPolarHBondContact O-CB 3.43Å; V355-L359 PolarHBondContact O-N 2.98Å; E356-L359 PolarHBondContact O-N 3.36Å; L359-S361 VanDerWaalsContact C-N 3.28Å; L359-S361 PolarHBondContact O-N 3.13Å; L359-Y362 CarbonylContact O-C 3.09Å; L359-Y362 PolarHBondContact O-N 2.99Å; L359-Y362 VanDerWaalsContact O-N 3.11Å; L359-T363 PolarHBondContact O-N 3.45Å; L359-T363 PolarHBondContact O-OG1 2.9Å |
| 360 | S | 96.1 | Very high | 96.1 | Very high | 60 Ų | 60 | 98.9 Ų | 98.9 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59 | -39.3 | 174.3 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | E356 G357 S358 K364 | E356-S360 WeakPolarHBondContact O-CB 3.47Å; E356-S360 PolarHBondContact O-N 2.82Å; E356-S360 PolarHBondContact O-OG 2.86Å; G357-S360 PolarHBondContact O-N 2.77Å; S358-S360 PolarHBondContact O-N 2.8Å; S360-K364 WeakPolarHBondContact O-CG 3.46Å; S360-K364 PolarHBondContact O-N 3.35Å; S360-K364 VanDerWaalsContact O-N 3.13Å |
| 361 | S | 96 | Very high | 96 | Very high | 63 Ų | 63 | 99.2 Ų | 99.2 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 174.7 | 75.5 | 0 | 0 | 0 | 0 | 112.4 | G357 S358 L359 K364 L365 | G357-S361 PolarHBondContact O-N 2.9Å; S358-S361 WeakPolarHBondContact CA-OG 3.4Å; S358-S361 PolarHBondContact O-N 3.23Å; S358-S361 VanDerWaalsContact O-N 3.13Å; S358-S361 PolarHBondContact O-OG 3.44Å; L359-S361 VanDerWaalsContact C-N 3.28Å; L359-S361 PolarHBondContact O-N 3.13Å; S361-K364 PolarHBondContact O-N 3.49Å; S361-L365 WeakPolarHBondContact O-CB 3.45Å; S361-L365 PolarHBondContact O-N 3.16Å |
| 362 | Y | 95.9 | Very high | 96 | Very high | 143 Ų | 143 | 99.8 Ų | 99.8 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.4 | -38.3 | 175.6 | -68.2 | -47 | 0 | 0 | 0 | 112.7 | S358 L359 L365 L366 | S358-Y362 WeakPolarHBondContact O-CD2 3.42Å; S358-Y362 PolarHBondContact O-N 3.35Å; L359-Y362 CarbonylContact O-C 3.09Å; L359-Y362 PolarHBondContact O-N 2.99Å; L359-Y362 VanDerWaalsContact O-N 3.11Å; Y362-L365 PolarHBondContact O-N 3.37Å; Y362-L366 WeakPolarHBondContact O-CB 3.37Å; Y362-L366 WeakPolarHBondContact O-CG 3.41Å; Y362-L366 PolarHBondContact O-N 3.47Å |
| 363 | T | 96.7 | Very high | 95.9 | Very high | 80 Ų | 80 | 98.5 Ų | 98.5 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.3 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | L359 L366 E367 | L359-T363 PolarHBondContact O-N 3.45Å; L359-T363 PolarHBondContact O-OG1 2.9Å; T363-L366 PolarHBondContact O-N 3.31Å; T363-E367 WeakPolarHBondContact O-CB 3.45Å; T363-E367 PolarHBondContact O-N 2.96Å |
| 364 | K | 95.7 | Very high | 95.9 | Very high | 150 Ų | 150 | 95.2 Ų | 95.2 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 173.9 | -72.6 | 176.6 | -178.5 | -179.3 | 0 | 112.1 | S360 S361 L366 E367 E368 | S360-K364 WeakPolarHBondContact O-CG 3.46Å; S360-K364 PolarHBondContact O-N 3.35Å; S360-K364 VanDerWaalsContact O-N 3.13Å; S361-K364 PolarHBondContact O-N 3.49Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 2.81Å; K364-E367 PolarHBondContact O-N 2.83Å; K364-E368 WeakPolarHBondContact O-CB 3.37Å; K364-E368 PolarHBondContact O-N 3.11Å |
| 365 | L | 95.5 | Very high | 95.8 | Very high | 101 Ų | 101 | 96.3 Ų | 96.3 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.3 | -169.7 | 82 | 0 | 0 | 0 | 111.4 | S361 Y362 E368 V369 | S361-L365 WeakPolarHBondContact O-CB 3.45Å; S361-L365 PolarHBondContact O-N 3.16Å; Y362-L365 PolarHBondContact O-N 3.37Å; L365-E368 PolarHBondContact O-N 3.16Å; L365-V369 WeakPolarHBondContact O-CB 3.47Å; L365-V369 VanDerWaalsContact O-CG2 3.25Å; L365-V369 WeakPolarHBondContact O-CG2 3.38Å; L365-V369 PolarHBondContact O-N 3.47Å |
| 366 | L | 95.1 | Very high | 95.6 | Very high | 116 Ų | 116 | 96.5 Ų | 96.5 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -40.8 | 177.2 | -83.7 | 163.4 | 0 | 0 | 0 | 112.1 | Y362 T363 K364 V369 Q370 | Y362-L366 WeakPolarHBondContact O-CB 3.37Å; Y362-L366 WeakPolarHBondContact O-CG 3.41Å; Y362-L366 PolarHBondContact O-N 3.47Å; T363-L366 PolarHBondContact O-N 3.31Å; K364-L366 VanDerWaalsContact C-N 3.34Å; K364-L366 PolarHBondContact O-N 2.81Å; L366-V369 PolarHBondContact O-N 3.35Å; L366-Q370 VanDerWaalsContact O-CB 3.3Å; L366-Q370 WeakPolarHBondContact O-CB 3.32Å; L366-Q370 PolarHBondContact O-N 2.85Å |
| 367 | E | 95.8 | Very high | 95.4 | Very high | 112 Ų | 112 | 96.1 Ų | 96.1 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 175.1 | -171.2 | 177.1 | -174.3 | 0 | 0 | 111.3 | T363 K364 Q370 N371 | T363-E367 WeakPolarHBondContact O-CB 3.45Å; T363-E367 PolarHBondContact O-N 2.96Å; K364-E367 PolarHBondContact O-N 2.83Å; E367-Q370 PolarHBondContact O-N 2.89Å; E367-N371 WeakPolarHBondContact O-CB 3.3Å; E367-N371 VanDerWaalsContact O-CG 3.23Å; E367-N371 PolarHBondContact O-N 3.3Å; E367-N371 PolarHBondContact O-ND2 3.41Å; E367-N371 VanDerWaalsContact O-ND2 3.16Å |
| 368 | E | 95.6 | Very high | 95.3 | Very high | 118 Ų | 118 | 99.7 Ų | 99.7 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 172.7 | -173.2 | 178.4 | 176.3 | 0 | 0 | 111.6 | K364 L365 N371 N372 | K364-E368 WeakPolarHBondContact O-CB 3.37Å; K364-E368 PolarHBondContact O-N 3.11Å; L365-E368 PolarHBondContact O-N 3.16Å; E368-N371 PolarHBondContact O-N 2.89Å; E368-N372 WeakPolarHBondContact O-CB 3.25Å; E368-N372 VanDerWaalsContact O-CG 3.29Å; E368-N372 PolarHBondContact O-N 3.34Å; E368-N372 PolarHBondContact O-ND2 2.92Å; E368-N372 VanDerWaalsContact O-ND2 3.16Å |
| 369 | V | 95.7 | Very high | 95.2 | Very high | 81 Ų | 81 | 100.9 Ų | 100.9 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L365 L366 N372 L373 | L365-V369 WeakPolarHBondContact O-CB 3.47Å; L365-V369 VanDerWaalsContact O-CG2 3.25Å; L365-V369 WeakPolarHBondContact O-CG2 3.38Å; L365-V369 PolarHBondContact O-N 3.47Å; L366-V369 PolarHBondContact O-N 3.35Å; V369-N372 PolarHBondContact O-N 2.87Å; V369-L373 WeakPolarHBondContact O-CB 3.36Å; V369-L373 PolarHBondContact O-N 3.42Å |
| 370 | Q | 95.4 | Very high | 95 | Very high | 118 Ų | 118 | 100.2 Ų | 100.2 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -46.6 | 176.7 | 179 | 179.5 | -20.9 | 0 | 0 | 111.1 | L366 E367 N372 L373 I374 | L366-Q370 VanDerWaalsContact O-CB 3.3Å; L366-Q370 WeakPolarHBondContact O-CB 3.32Å; L366-Q370 PolarHBondContact O-N 2.85Å; E367-Q370 PolarHBondContact O-N 2.89Å; Q370-N372 VanDerWaalsContact C-N 3.33Å; Q370-N372 PolarHBondContact O-N 3.37Å; Q370-L373 PolarHBondContact O-N 3.22Å; Q370-L373 VanDerWaalsContact O-N 3.16Å; Q370-I374 HydrophobicContact CG-CD1 4.02Å; Q370-I374 WeakPolarHBondContact O-CG1 3.28Å; Q370-I374 PolarHBondContact O-N 3.32Å |
| 371 | N | 95.7 | Very high | 94.8 | Very high | 74 Ų | 74 | 104.1 Ų | 104.1 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 177.1 | -75.4 | -31.2 | 0 | 0 | 0 | 111.6 | E367 E368 L373 I374 K375 | E367-N371 WeakPolarHBondContact O-CB 3.3Å; E367-N371 VanDerWaalsContact O-CG 3.23Å; E367-N371 PolarHBondContact O-N 3.3Å; E367-N371 PolarHBondContact O-ND2 3.41Å; E367-N371 VanDerWaalsContact O-ND2 3.16Å; E368-N371 PolarHBondContact O-N 2.89Å; N371-L373 VanDerWaalsContact C-N 3.34Å; N371-I374 PolarHBondContact O-N 3.45Å; N371-K375 WeakPolarHBondContact O-CB 3.49Å; N371-K375 VanDerWaalsContact O-CG 3.3Å; N371-K375 WeakPolarHBondContact O-CG 3.35Å; N371-K375 PolarHBondContact O-N 2.92Å |
| 372 | N | 95 | Very high | 94.6 | Very high | 73 Ų | 73 | 105.3 Ų | 105.3 | 39% | 0.39 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 173.8 | -76.2 | -32.7 | 0 | 0 | 0 | 111.9 | E368 V369 Q370 N376 | E368-N372 WeakPolarHBondContact O-CB 3.25Å; E368-N372 VanDerWaalsContact O-CG 3.29Å; E368-N372 PolarHBondContact O-N 3.34Å; E368-N372 PolarHBondContact O-ND2 2.92Å; E368-N372 VanDerWaalsContact O-ND2 3.16Å; V369-N372 PolarHBondContact O-N 2.87Å; Q370-N372 VanDerWaalsContact C-N 3.33Å; Q370-N372 PolarHBondContact O-N 3.37Å; N372-N376 WeakPolarHBondContact O-CB 3.3Å; N372-N376 PolarHBondContact O-N 2.87Å; N372-N376 PolarHBondContact O-ND2 2.79Å |
| 373 | L | 95.4 | Very high | 94.3 | Very high | 101 Ų | 101 | 102.8 Ų | 102.8 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68 | -43.8 | 176.5 | -168 | 155.3 | 0 | 0 | 0 | 111.8 | V369 Q370 N371 N376 M377 | V369-L373 WeakPolarHBondContact O-CB 3.36Å; V369-L373 PolarHBondContact O-N 3.42Å; Q370-L373 PolarHBondContact O-N 3.22Å; Q370-L373 VanDerWaalsContact O-N 3.16Å; N371-L373 VanDerWaalsContact C-N 3.34Å; L373-N376 PolarHBondContact O-N 3.16Å; L373-M377 HydrophobicContact CD2-CG 3.76Å; L373-M377 WeakPolarHBondContact O-CB 3.47Å; L373-M377 WeakPolarHBondContact O-CG 3.49Å; L373-M377 PolarHBondContact O-N 3.37Å |
| 374 | I | 95.5 | Very high | 93.9 | Very high | 85 Ų | 85 | 105.6 Ų | 105.6 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -48.1 | 176.3 | -68.7 | 167.8 | 0 | 0 | 0 | 110.1 | Q370 N371 N376 M377 E378 | Q370-I374 HydrophobicContact CG-CD1 4.02Å; Q370-I374 WeakPolarHBondContact O-CG1 3.28Å; Q370-I374 PolarHBondContact O-N 3.32Å; N371-I374 PolarHBondContact O-N 3.45Å; I374-N376 VanDerWaalsContact C-N 3.33Å; I374-N376 PolarHBondContact O-N 2.86Å; I374-M377 PolarHBondContact O-N 3.29Å; I374-E378 PolarHBondContact O-N 3.46Å |
| 375 | K | 94.4 | Very high | 93.3 | Very high | 127 Ų | 127 | 101.7 Ų | 101.7 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.1 | -44.8 | 174.8 | -72.7 | 174.2 | -176.6 | 176.6 | 0 | 111.7 | N371 M377 E378 V379 | N371-K375 WeakPolarHBondContact O-CB 3.49Å; N371-K375 VanDerWaalsContact O-CG 3.3Å; N371-K375 WeakPolarHBondContact O-CG 3.35Å; N371-K375 PolarHBondContact O-N 2.92Å; K375-M377 VanDerWaalsContact C-N 3.33Å; K375-M377 PolarHBondContact O-N 3.02Å; K375-E378 PolarHBondContact O-N 3.34Å; K375-V379 VanDerWaalsContact O-CG2 3.28Å; K375-V379 WeakPolarHBondContact O-CG2 3.22Å; K375-V379 PolarHBondContact O-N 3.47Å |
| 376 | N | 93 | Very high | 92.8 | Very high | 101 Ų | 101 | 100.5 Ų | 100.5 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.1 | -73.8 | -16.1 | 0 | 0 | 0 | 112.2 | N372 L373 I374 V379 I380 | N372-N376 WeakPolarHBondContact O-CB 3.3Å; N372-N376 PolarHBondContact O-N 2.87Å; N372-N376 PolarHBondContact O-ND2 2.79Å; L373-N376 PolarHBondContact O-N 3.16Å; I374-N376 VanDerWaalsContact C-N 3.33Å; I374-N376 PolarHBondContact O-N 2.86Å; N376-V379 PolarHBondContact O-N 3.43Å; N376-I380 VanDerWaalsContact O-CG1 3.22Å; N376-I380 WeakPolarHBondContact O-CG1 3.41Å; N376-I380 PolarHBondContact O-N 2.84Å |
| 377 | M | 92.9 | Very high | 92.2 | Very high | 113 Ų | 113 | 99.6 Ų | 99.6 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.8 | -37.8 | 176.4 | -76 | -66.1 | -75.7 | 0 | 0 | 112.2 | L373 I374 K375 I380 K381 | L373-M377 HydrophobicContact CD2-CG 3.76Å; L373-M377 WeakPolarHBondContact O-CB 3.47Å; L373-M377 WeakPolarHBondContact O-CG 3.49Å; L373-M377 PolarHBondContact O-N 3.37Å; I374-M377 PolarHBondContact O-N 3.29Å; K375-M377 VanDerWaalsContact C-N 3.33Å; K375-M377 PolarHBondContact O-N 3.02Å; M377-I380 PolarHBondContact O-N 3.17Å; M377-I380 HydrophobicContact SD-CD1 4.28Å; M377-K381 WeakPolarHBondContact O-CB 3.36Å; M377-K381 PolarHBondContact O-N 2.86Å |
| 378 | E | 93.8 | Very high | 91.5 | Very high | 117 Ų | 117 | 100 Ų | 100 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 173.1 | -168.5 | 162.2 | -150.6 | 0 | 0 | 110.6 | I374 K375 I380 K381 D382 | I374-E378 PolarHBondContact O-N 3.46Å; K375-E378 PolarHBondContact O-N 3.34Å; E378-I380 VanDerWaalsContact C-N 3.33Å; E378-I380 PolarHBondContact O-N 2.82Å; E378-K381 WeakPolarHBondContact O-CB 3.4Å; E378-K381 PolarHBondContact O-N 2.95Å; E378-K381 VanDerWaalsContact O-N 3.14Å; E378-D382 WeakPolarHBondContact O-CB 3.45Å; E378-D382 PolarHBondContact O-N 2.89Å |
| 379 | V | 93.4 | Very high | 90.8 | Very high | 79 Ų | 79 | 98.3 Ų | 98.3 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 172.1 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | K375 N376 D382 N383 | K375-V379 VanDerWaalsContact O-CG2 3.28Å; K375-V379 WeakPolarHBondContact O-CG2 3.22Å; K375-V379 PolarHBondContact O-N 3.47Å; N376-V379 PolarHBondContact O-N 3.43Å; V379-D382 PolarHBondContact O-N 2.83Å; V379-N383 WeakPolarHBondContact O-CB 3.48Å; V379-N383 PolarHBondContact O-N 3.14Å; V379-N383 PolarHBondContact O-ND2 2.89Å |
| 380 | I | 93.3 | Very high | 89.7 | Confident | 93 Ų | 93 | 101.4 Ų | 101.4 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.3 | -71.2 | 162.9 | 0 | 0 | 0 | 111.1 | N376 M377 E378 N383 F384 | N376-I380 VanDerWaalsContact O-CG1 3.22Å; N376-I380 WeakPolarHBondContact O-CG1 3.41Å; N376-I380 PolarHBondContact O-N 2.84Å; M377-I380 PolarHBondContact O-N 3.17Å; M377-I380 HydrophobicContact SD-CD1 4.28Å; E378-I380 VanDerWaalsContact C-N 3.33Å; E378-I380 PolarHBondContact O-N 2.82Å; I380-N383 WeakPolarHBondContact O-CB 3.38Å; I380-N383 PolarHBondContact O-N 3.33Å; I380-F384 WeakPolarHBondContact O-CB 3.35Å; I380-F384 PolarHBondContact O-N 3.47Å |
| 381 | K | 92 | Very high | 88.3 | Confident | 141 Ų | 141 | 103.3 Ų | 103.3 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 177.2 | -175.7 | -172.7 | 174.7 | -170.2 | 0 | 111.5 | M377 E378 N383 F384 T385 | M377-K381 WeakPolarHBondContact O-CB 3.36Å; M377-K381 PolarHBondContact O-N 2.86Å; E378-K381 WeakPolarHBondContact O-CB 3.4Å; E378-K381 PolarHBondContact O-N 2.95Å; E378-K381 VanDerWaalsContact O-N 3.14Å; K381-N383 VanDerWaalsContact C-N 3.32Å; K381-F384 PolarHBondContact O-N 3.15Å; K381-F384 VanDerWaalsContact O-N 3.15Å; K381-T385 WeakPolarHBondContact O-CG2 3.35Å; K381-T385 PolarHBondContact O-N 2.7Å; K381-T385 PolarHBondContact O-OG1 2.86Å; K381-T385 VanDerWaalsContact O-OG1 3.12Å |
| 382 | D | 91.2 | Very high | 86.6 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 175.1 | -71.7 | -10.4 | 0 | 0 | 0 | 110.8 | E378 V379 F384 T385 T386 | E378-D382 WeakPolarHBondContact O-CB 3.45Å; E378-D382 PolarHBondContact O-N 2.89Å; V379-D382 PolarHBondContact O-N 2.83Å; D382-F384 VanDerWaalsContact C-N 3.35Å; D382-F384 PolarHBondContact O-N 2.94Å; D382-T385 WeakPolarHBondContact CA-OG1 3.42Å; D382-T385 PolarHBondContact O-OG1 2.95Å; D382-T386 WeakPolarHBondContact O-CB 3.47Å; D382-T386 PolarHBondContact O-N 3.12Å; D382-T386 PolarHBondContact O-OG1 3.28Å |
| 383 | N | 89.3 | Confident | 84.9 | Confident | 91 Ų | 91 | 108.3 Ų | 108.3 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.2 | -40.9 | 171.4 | -72.9 | -38.9 | 0 | 0 | 0 | 111.9 | V379 I380 K381 T386 I387 | V379-N383 WeakPolarHBondContact O-CB 3.48Å; V379-N383 PolarHBondContact O-N 3.14Å; V379-N383 PolarHBondContact O-ND2 2.89Å; I380-N383 WeakPolarHBondContact O-CB 3.38Å; I380-N383 PolarHBondContact O-N 3.33Å; K381-N383 VanDerWaalsContact C-N 3.32Å; N383-T386 WeakPolarHBondContact O-CB 3.47Å; N383-T386 PolarHBondContact O-N 3.26Å; N383-I387 WeakPolarHBondContact O-CG1 3.43Å; N383-I387 PolarHBondContact O-N 2.97Å |
| 384 | F | 88.1 | Confident | 82.7 | Confident | 138 Ų | 138 | 108.7 Ų | 108.7 | 61% | 0.605 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.6 | -42.3 | -179.5 | -134.8 | -81.5 | 0 | 0 | 0 | 112.5 | I380 K381 D382 T386 I387 E388 | I380-F384 WeakPolarHBondContact O-CB 3.35Å; I380-F384 PolarHBondContact O-N 3.47Å; K381-F384 PolarHBondContact O-N 3.15Å; K381-F384 VanDerWaalsContact O-N 3.15Å; D382-F384 VanDerWaalsContact C-N 3.35Å; D382-F384 PolarHBondContact O-N 2.94Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 3.36Å; F384-I387 CarbonylContact O-C 3.57Å; F384-I387 WeakPolarHBondContact O-CB 3.48Å; F384-I387 PolarHBondContact O-N 2.84Å; F384-I387 VanDerWaalsContact O-N 3.14Å; F384-E388 WeakPolarHBondContact O-CB 3.47Å; F384-E388 PolarHBondContact O-N 2.91Å |
| 385 | T | 83.9 | Confident | 80.2 | Confident | 68 Ų | 68 | 109.9 Ų | 109.9 | 42% | 0.417 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.6 | -35 | 174.1 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | K381 D382 E388 S389 | K381-T385 WeakPolarHBondContact O-CG2 3.35Å; K381-T385 PolarHBondContact O-N 2.7Å; K381-T385 PolarHBondContact O-OG1 2.86Å; K381-T385 VanDerWaalsContact O-OG1 3.12Å; D382-T385 WeakPolarHBondContact CA-OG1 3.42Å; D382-T385 PolarHBondContact O-OG1 2.95Å; T385-E388 PolarHBondContact O-N 3.43Å; T385-S389 WeakPolarHBondContact O-CB 3.5Å; T385-S389 PolarHBondContact O-N 2.81Å |
| 386 | T | 83.9 | Confident | 77.5 | Confident | 76 Ų | 76 | 116.5 Ų | 116.5 | 47% | 0.466 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.8 | -43 | 171.1 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | D382 N383 F384 S389 H390 | D382-T386 WeakPolarHBondContact O-CB 3.47Å; D382-T386 PolarHBondContact O-N 3.12Å; D382-T386 PolarHBondContact O-OG1 3.28Å; N383-T386 WeakPolarHBondContact O-CB 3.47Å; N383-T386 PolarHBondContact O-N 3.26Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 3.36Å; T386-S389 PolarHBondContact O-N 3Å; T386-S389 PolarHBondContact O-OG 3.38Å; T386-H390 PolarHBondContact O-N 3.14Å; T386-H390 PolarHBondContact O-ND1 2.69Å |
| 387 | I | 82.4 | Confident | 76.8 | Confident | 97 Ų | 97 | 117.3 Ų | 117.3 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.1 | -43.4 | 174.7 | -69.7 | 169.4 | 0 | 0 | 0 | 111.6 | N383 F384 S389 H390 F391 | N383-I387 WeakPolarHBondContact O-CG1 3.43Å; N383-I387 PolarHBondContact O-N 2.97Å; F384-I387 CarbonylContact O-C 3.57Å; F384-I387 WeakPolarHBondContact O-CB 3.48Å; F384-I387 PolarHBondContact O-N 2.84Å; F384-I387 VanDerWaalsContact O-N 3.14Å; I387-S389 VanDerWaalsContact C-N 3.31Å; I387-S389 PolarHBondContact O-N 3.45Å; I387-H390 CarbonylContact O-C 3.6Å; I387-H390 WeakPolarHBondContact O-CA 3.42Å; I387-H390 WeakPolarHBondContact O-CB 3.44Å; I387-H390 PolarHBondContact O-N 2.94Å; I387-F391 PolarHBondContact O-N 3.47Å |
| 388 | E | 82.5 | Confident | 75.9 | Confident | 122 Ų | 122 | 117.5 Ų | 117.5 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.5 | -36.2 | 179.2 | -168.5 | 170.9 | -164.8 | 0 | 0 | 111.5 | F384 T385 H390 F391 | F384-E388 WeakPolarHBondContact O-CB 3.47Å; F384-E388 PolarHBondContact O-N 2.91Å; T385-E388 PolarHBondContact O-N 3.43Å; E388-H390 PolarHBondContact O-N 3.23Å; E388-F391 CarbonylContact O-C 3.59Å; E388-F391 PolarHBondContact O-N 3.4Å |
| 389 | S | 79.5 | Confident | 74.9 | Confident | 82 Ų | 82 | 117.5 Ų | 117.5 | 57% | 0.573 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.4 | -28.4 | 171.3 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | T385 T386 I387 | T385-S389 WeakPolarHBondContact O-CB 3.5Å; T385-S389 PolarHBondContact O-N 2.81Å; T386-S389 PolarHBondContact O-N 3Å; T386-S389 PolarHBondContact O-OG 3.38Å; I387-S389 VanDerWaalsContact C-N 3.31Å; I387-S389 PolarHBondContact O-N 3.45Å |
| 390 | H | 72.4 | Confident | 73.8 | Confident | 145 Ų | 145 | 119.8 Ų | 119.8 | 67% | 0.671 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -82 | -26 | 174.8 | -85.4 | 59.7 | 0 | 0 | 0 | 113.1 | T386 I387 E388 P392 | T386-H390 PolarHBondContact O-N 3.14Å; T386-H390 PolarHBondContact O-ND1 2.69Å; I387-H390 CarbonylContact O-C 3.6Å; I387-H390 WeakPolarHBondContact O-CA 3.42Å; I387-H390 WeakPolarHBondContact O-CB 3.44Å; I387-H390 PolarHBondContact O-N 2.94Å; E388-H390 PolarHBondContact O-N 3.23Å; H390-P392 VanDerWaalsContact C-CD 3.46Å; H390-P392 WeakPolarHBondContact O-CD 3.48Å |
| 391 | F | 67.5 | Low | 72.6 | Confident | 159 Ų | 159 | 121.4 Ų | 121.4 | 70% | 0.697 | 64% | 0.637 | S | S | * | * | trans | -122.2 | 72.9 | 174.8 | -82.2 | -87 | 0 | 0 | 0 | 110.9 | I387 E388 I393 | I387-F391 PolarHBondContact O-N 3.47Å; E388-F391 CarbonylContact O-C 3.59Å; E388-F391 PolarHBondContact O-N 3.4Å; F391-I393 VanDerWaalsContact C-N 3.3Å; F391-I393 PolarHBondContact O-N 2.68Å | ||
| 392 | P | 59.2 | Low | 71.3 | Confident | 105 Ų | 105 | 120.1 Ų | 120.1 | 68% | 0.682 | 64% | 0.638 | S | S | * | * | trans | -63.2 | 99.5 | 165.3 | 25.9 | -29.9 | 0 | 0 | 0 | 107.1 | H390 S394 | H390-P392 VanDerWaalsContact C-CD 3.46Å; H390-P392 WeakPolarHBondContact O-CD 3.48Å; P392-S394 PolarHBondContact O-N 3.04Å | ||
| 393 | I | 58.7 | Low | 69.9 | Low | 146 Ų | 146 | 122.4 Ų | 122.4 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | trans | -53.6 | 119.6 | 179.1 | -69.8 | 160.6 | 0 | 0 | 0 | 106.7 | F391 S395 | F391-I393 VanDerWaalsContact C-N 3.3Å; F391-I393 PolarHBondContact O-N 2.68Å; I393-S395 PolarHBondContact O-N 2.83Å | ||
| 394 | S | 50.6 | Low | 68.4 | Low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | trans | -45.4 | 80.7 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | P392 K396 | P392-S394 PolarHBondContact O-N 3.04Å; S394-K396 VanDerWaalsContact C-N 3.29Å; S394-K396 PolarHBondContact O-N 3.36Å | ||
| 395 | S | 42 | Very low | 66.8 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | trans | -93.9 | 67.1 | 168.8 | 72.9 | 0 | 0 | 0 | 0 | 108 | I393 | I393-S395 PolarHBondContact O-N 2.83Š| ||
| 396 | K | 38.4 | Very low | 65.2 | Low | 266 Ų | 266 | 128.8 Ų | 128.8 | 100% | 1.157 | 69% | 0.69 | S | S | * | * | trans | -167.1 | 0 | 156.6 | -109.7 | 171.5 | -171 | -178.2 | 0 | 110.5 | S394 | S394-K396 VanDerWaalsContact C-N 3.29Å; S394-K396 PolarHBondContact O-N 3.36Å |
Retrieved 396 of 396 residues in 422.9 ms
(Link to these results)